smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000009531196 132320950 /nfs/dbraw/zinc/32/09/50/132320950.db2.gz VIILQKCTTOGZLD-UHFFFAOYSA-N 0 1 448.368 4.602 50 0 IJAAMN CC(=O)c1cccc(-n2c3c(c(S[C@@H](N)c4cccc5ccccc54)nc2=O)CCC3)c1 ZINC000015840537 518415962 /nfs/dbraw/zinc/41/59/62/518415962.db2.gz VLZFZRPYJPLUDK-XMMPIXPASA-N 0 1 441.556 4.827 50 0 IJAAMN CCCOc1ccccc1-c1n[nH]c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000020808008 520471953 /nfs/dbraw/zinc/47/19/53/520471953.db2.gz MNDJOIPGGIIZPO-UHFFFAOYSA-N 0 1 432.343 4.998 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1C)C(c1ccc(C)cc1)=N2 ZINC000035372502 521585229 /nfs/dbraw/zinc/58/52/29/521585229.db2.gz GXMUNFZMMSIFBO-UHFFFAOYSA-N 0 1 434.609 4.689 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(C)cc1)=N2 ZINC000035372764 521585883 /nfs/dbraw/zinc/58/58/83/521585883.db2.gz OECAKVCDBGGCQU-UHFFFAOYSA-N 0 1 438.572 4.519 50 0 IJAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012245899 521890848 /nfs/dbraw/zinc/89/08/48/521890848.db2.gz AHVHANMLEQPPOA-WSTZPKSXSA-N 0 1 447.604 4.732 50 0 IJAAMN COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000012753450 523168240 /nfs/dbraw/zinc/16/82/40/523168240.db2.gz NCPZIKXZKOCIHR-CYBMUJFWSA-N 0 1 431.945 4.770 50 0 IJAAMN COc1ccc(-c2noc(CN3CCC[C@@H](c4ccc(Cl)cc4)C3)n2)c(OC)c1OC ZINC000020777959 523288011 /nfs/dbraw/zinc/28/80/11/523288011.db2.gz QCVBKHFIMVZMTL-MRXNPFEDSA-N 0 1 443.931 4.795 50 0 IJAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)cc1OC ZINC000012306736 523779785 /nfs/dbraw/zinc/77/97/85/523779785.db2.gz CCCBLTHTJWAVIN-FQEVSTJZSA-N 0 1 433.552 4.806 50 0 IJAAMN Cc1ccc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cc1F ZINC000012307630 524560052 /nfs/dbraw/zinc/56/00/52/524560052.db2.gz GFOOVZHMKLYOQF-UHFFFAOYSA-N 0 1 433.527 4.503 50 0 IJAAMN C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000035254125 525231854 /nfs/dbraw/zinc/23/18/54/525231854.db2.gz WRQCPSPDPJFJIU-LVXARBLLSA-N 0 1 429.564 4.586 50 0 IJAAMN Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccccc1 ZINC000035372822 525766505 /nfs/dbraw/zinc/76/65/05/525766505.db2.gz RWEQBXFJMOKGOJ-UHFFFAOYSA-N 0 1 441.000 4.643 50 0 IJAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(Oc4ccccc4)cc2)C(=O)N3)cc1 ZINC000020727498 525828161 /nfs/dbraw/zinc/82/81/61/525828161.db2.gz ZHVXRFXZCRRVGT-OAQYLSRUSA-N 0 1 439.475 4.568 50 0 IJAAMN COc1cccc(N2C(=O)NC(=O)[C@](CCc3ccccn3)(Cc3ccccc3F)C2=O)c1 ZINC000022525210 526140616 /nfs/dbraw/zinc/14/06/16/526140616.db2.gz AIKLOIHBMRGLJZ-VWLOTQADSA-N 0 1 447.466 4.514 50 0 IJAAMN O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(c2ccccc2)CC1 ZINC000020458566 526289692 /nfs/dbraw/zinc/28/96/92/526289692.db2.gz KUFKYIDKUKQRHB-UDWGGLNASA-N 0 1 446.635 4.716 50 0 IJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020744673 526579116 /nfs/dbraw/zinc/57/91/16/526579116.db2.gz QIIOGAPMNAHVTQ-HXUWFJFHSA-N 0 1 428.985 4.725 50 0 IJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2c1SCCC2=O ZINC000021103198 527608870 /nfs/dbraw/zinc/60/88/70/527608870.db2.gz OGIXZOJBPFHRIU-UHFFFAOYSA-N 0 1 428.985 4.661 50 0 IJAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000000837410 555567409 /nfs/dbraw/zinc/56/74/09/555567409.db2.gz WJDPUPGEAOZSEI-UHFFFAOYSA-N 0 1 428.897 4.596 50 0 IJAAMN CCc1n[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794967 555917524 /nfs/dbraw/zinc/91/75/24/555917524.db2.gz OOGYANNPUKFSAZ-UHFFFAOYSA-N 0 1 449.429 4.936 50 0 IJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008595783 556190442 /nfs/dbraw/zinc/19/04/42/556190442.db2.gz VGHIMCGNYSTFGE-QFIPXVFZSA-N 0 1 431.423 4.735 50 0 IJAAMN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@H](c4cccc(F)c4)N(C)C)cc3)o2)c1 ZINC000032730756 556283255 /nfs/dbraw/zinc/28/32/55/556283255.db2.gz LNHBXOZCVICYFE-HSZRJFAPSA-N 0 1 444.510 4.884 50 0 IJAAMN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCC(C)CC3)no2)cc1 ZINC000011905358 556374015 /nfs/dbraw/zinc/37/40/15/556374015.db2.gz BDLZDENFTUOHQF-XMMPIXPASA-N 0 1 449.551 4.562 50 0 IJAAMN COc1cc(OC)c(OC)cc1CN1CCC2(C[C@@H]2C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000011969875 556382073 /nfs/dbraw/zinc/38/20/73/556382073.db2.gz QGBQETBYYXPLHX-OAQYLSRUSA-N 0 1 438.568 4.570 50 0 IJAAMN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000012074120 556396794 /nfs/dbraw/zinc/39/67/94/556396794.db2.gz MTNBVOZYQAWOBU-OAHLLOKOSA-N 0 1 444.988 4.984 50 0 IJAAMN CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)n1 ZINC000028292747 556450665 /nfs/dbraw/zinc/45/06/65/556450665.db2.gz YXPDMAIECOAVCV-LJQANCHMSA-N 0 1 433.021 4.932 50 0 IJAAMN COc1cc2c(cc1Br)n(C)c(CN1CCCCC1)c2C(=O)N1CCCCC1 ZINC000014944634 556459556 /nfs/dbraw/zinc/45/95/56/556459556.db2.gz GHRMTRQOIFGTFT-UHFFFAOYSA-N 0 1 448.405 4.561 50 0 IJAAMN C[C@@H](NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1CN(C)C)c1ccco1 ZINC000014995419 556477508 /nfs/dbraw/zinc/47/75/08/556477508.db2.gz CDXZHNQEUZGDRM-MRXNPFEDSA-N 0 1 435.549 4.874 50 0 IJAAMN CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000029604041 556478809 /nfs/dbraw/zinc/47/88/09/556478809.db2.gz RKUASSUEJXHIJS-UHFFFAOYSA-N 0 1 427.327 4.721 50 0 IJAAMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)n1c(=O)c2ccccc2[nH]c1=S ZINC000029958054 556487252 /nfs/dbraw/zinc/48/72/52/556487252.db2.gz OSVWELNPPGDQTA-INIZCTEOSA-N 0 1 431.517 4.838 50 0 IJAAMN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc(COC)o2)CC1 ZINC000015066356 556492999 /nfs/dbraw/zinc/49/29/99/556492999.db2.gz YKHLZIBUEGXQTM-UHFFFAOYSA-N 0 1 439.474 4.833 50 0 IJAAMN COc1cccc([C@H](CNC(=O)c2cccnc2Sc2ccccc2)N2CCCC2)c1 ZINC000032988489 556608726 /nfs/dbraw/zinc/60/87/26/556608726.db2.gz GZRBZHQYBQABHW-QHCPKHFHSA-N 0 1 433.577 4.808 50 0 IJAAMN C[C@@H]1CCC[C@H](NC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)[C@@H]1C ZINC000004599097 556665759 /nfs/dbraw/zinc/66/57/59/556665759.db2.gz YSZCNTBANITDNB-SWODNQITSA-N 0 1 427.614 4.806 50 0 IJAAMN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]2CCCN21 ZINC000013591804 556701080 /nfs/dbraw/zinc/70/10/80/556701080.db2.gz PGYPRCDEEGWUJY-WWQFTLRMSA-N 0 1 438.527 4.604 50 0 IJAAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000001218905 556707778 /nfs/dbraw/zinc/70/77/78/556707778.db2.gz UYYGRDKIWDLNDC-GZTJUZNOSA-N 0 1 443.684 4.824 50 0 IJAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)CC1 ZINC000055344766 556740464 /nfs/dbraw/zinc/74/04/64/556740464.db2.gz BYRWBRLMQWTWFO-XMMPIXPASA-N 0 1 429.564 4.682 50 0 IJAAMN COCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccc(C)cc3)cc2[nH]1 ZINC000033126357 556866934 /nfs/dbraw/zinc/86/69/34/556866934.db2.gz GTYDTBFJQILDDP-UHFFFAOYSA-N 0 1 444.579 4.770 50 0 IJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000033173823 556883972 /nfs/dbraw/zinc/88/39/72/556883972.db2.gz BBRUCRMHDMYJAT-UHFFFAOYSA-N 0 1 427.473 4.607 50 0 IJAAMN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(Br)cc2)cc1 ZINC000046057583 557029134 /nfs/dbraw/zinc/02/91/34/557029134.db2.gz BLBKMMMNIVRZHI-GOSISDBHSA-N 0 1 438.325 4.814 50 0 IJAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4ccc(F)c(Cl)c4)n3)[nH]c2c1 ZINC000033270728 557047254 /nfs/dbraw/zinc/04/72/54/557047254.db2.gz IKWRAZVGZOVYAI-UHFFFAOYSA-N 0 1 445.907 4.910 50 0 IJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2C)cc1 ZINC000017887657 557127569 /nfs/dbraw/zinc/12/75/69/557127569.db2.gz MXDJBYWEIIEIQR-DNVJHFABSA-N 0 1 448.906 4.708 50 0 IJAAMN O=C(NCc1ccccc1)C1CCN(Cc2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000024716045 557160360 /nfs/dbraw/zinc/16/03/60/557160360.db2.gz CKDFURIURNGDQR-UHFFFAOYSA-N 0 1 436.559 4.825 50 0 IJAAMN CN(C)[C@H](CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1cccs1 ZINC000024775508 557166686 /nfs/dbraw/zinc/16/66/86/557166686.db2.gz NRJGBAMYDRZCOI-HXUWFJFHSA-N 0 1 436.606 4.949 50 0 IJAAMN Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cc(C)c(C)cc3Br)n2)c1 ZINC000009614911 557191784 /nfs/dbraw/zinc/19/17/84/557191784.db2.gz YCRSCDWPSHGCCH-UHFFFAOYSA-N 0 1 431.359 4.890 50 0 IJAAMN CCOc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828775 557300393 /nfs/dbraw/zinc/30/03/93/557300393.db2.gz BCAOWARWZPEDRK-UHFFFAOYSA-N 0 1 442.450 4.609 50 0 IJAAMN O=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1cc(F)cc(Cl)c1 ZINC000225391978 557717831 /nfs/dbraw/zinc/71/78/31/557717831.db2.gz PCQYNMJUHNLNAT-UHFFFAOYSA-N 0 1 431.670 4.697 50 0 IJAAMN CN(Cc1nc(-c2cccc(Br)c2)no1)C1CCN(c2ccccc2)CC1 ZINC000225519338 557734570 /nfs/dbraw/zinc/73/45/70/557734570.db2.gz ICKHUENEKZVWAL-UHFFFAOYSA-N 0 1 427.346 4.600 50 0 IJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008606646 562957071 /nfs/dbraw/zinc/95/70/71/562957071.db2.gz ZLBIJHLTFLOTDR-VWLOTQADSA-N 0 1 440.503 4.712 50 0 IJAAMN O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1C(F)(F)F ZINC000008609808 562957952 /nfs/dbraw/zinc/95/79/52/562957952.db2.gz PPXRSKSOBMCHBZ-UHFFFAOYSA-N 0 1 448.470 4.563 50 0 IJAAMN C[C@H](OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000025499719 568661246 /nfs/dbraw/zinc/66/12/46/568661246.db2.gz QPCJYJXYVSYJBT-KKSFZXQISA-N 0 1 442.909 4.620 50 0 IJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cccc(OC)c3)C(=O)N2CCCOC(C)C)cc1 ZINC000085409652 568817851 /nfs/dbraw/zinc/81/78/51/568817851.db2.gz CQYDPNCNLOXLFP-RUZDIDTESA-N 0 1 449.551 4.844 50 0 IJAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146712 568846258 /nfs/dbraw/zinc/84/62/58/568846258.db2.gz XZJRGPGLBJRBFM-UHFFFAOYSA-N 0 1 445.338 4.811 50 0 IJAAMN CCN(CC)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146077 568846402 /nfs/dbraw/zinc/84/64/02/568846402.db2.gz AMYMOBMCBPKOPK-UHFFFAOYSA-N 0 1 441.528 4.725 50 0 IJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2C)cc1 ZINC000238901816 568910208 /nfs/dbraw/zinc/91/02/08/568910208.db2.gz MXDJBYWEIIEIQR-ZLNRFVROSA-N 0 1 448.906 4.708 50 0 IJAAMN CC1(C)C[C@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000017057457 568929153 /nfs/dbraw/zinc/92/91/53/568929153.db2.gz UFYFORFRKLSCCV-MHZLTWQESA-N 0 1 447.623 4.976 50 0 biogenic IJAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000064557795 568932088 /nfs/dbraw/zinc/93/20/88/568932088.db2.gz KYJGKSJJVFFRJS-HXUWFJFHSA-N 0 1 441.455 4.605 50 0 IJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036342004 569079623 /nfs/dbraw/zinc/07/96/23/569079623.db2.gz XGWXBHYZWPRYIS-OAQYLSRUSA-N 0 1 441.547 4.720 50 0 IJAAMN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004072 569086840 /nfs/dbraw/zinc/08/68/40/569086840.db2.gz HLUYFTPWEGOCBT-UHFFFAOYSA-N 0 1 443.319 4.983 50 0 IJAAMN CCCOc1ccc(-c2nc(CN3CCC(C(=O)NCCC(C)C)CC3)c(C)o2)cc1 ZINC000007006619 569117622 /nfs/dbraw/zinc/11/76/22/569117622.db2.gz RUUYCQXFLSXRPQ-UHFFFAOYSA-N 0 1 427.589 4.813 50 0 IJAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1NC(C)=O ZINC000010059489 569152186 /nfs/dbraw/zinc/15/21/86/569152186.db2.gz UCOHSJYJUOKSMR-UHFFFAOYSA-N 0 1 426.494 4.637 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000253396170 569264713 /nfs/dbraw/zinc/26/47/13/569264713.db2.gz AVKNTZRIJBHQFS-MRXNPFEDSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)c(C(F)(F)F)c1)c1ccccc1 ZINC000078623875 569316727 /nfs/dbraw/zinc/31/67/27/569316727.db2.gz KBFKTFRBJCGHPV-UHFFFAOYSA-N 0 1 438.402 4.898 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1cccs1 ZINC000020133877 569335568 /nfs/dbraw/zinc/33/55/68/569335568.db2.gz VYAPFFUROLBKOA-KRWDZBQOSA-N 0 1 430.530 4.623 50 0 IJAAMN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095949699 569376546 /nfs/dbraw/zinc/37/65/46/569376546.db2.gz KHDFVMNZZGFNHI-OAQYLSRUSA-N 0 1 441.575 4.623 50 0 IJAAMN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095949698 569376576 /nfs/dbraw/zinc/37/65/76/569376576.db2.gz KHDFVMNZZGFNHI-NRFANRHFSA-N 0 1 441.575 4.623 50 0 IJAAMN CC(=O)Nc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c(Cl)c1 ZINC000096011118 569379748 /nfs/dbraw/zinc/37/97/48/569379748.db2.gz ZWPZEASGOLAEED-OAQYLSRUSA-N 0 1 449.929 4.922 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1ccccc1Cl)CC(=O)O2 ZINC000096115486 569383313 /nfs/dbraw/zinc/38/33/13/569383313.db2.gz FZWHKSOURXMKAL-OAHLLOKOSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1ccc(Cl)cc1)CC(=O)O2 ZINC000096115900 569383436 /nfs/dbraw/zinc/38/34/36/569383436.db2.gz YYAVTOIZLUBRPZ-MRXNPFEDSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN c1c2c(ncnc2N2CCN(Cc3ccccc3)CC2)sc1[C@@H]1COc2ccccc2O1 ZINC000096474892 569400933 /nfs/dbraw/zinc/40/09/33/569400933.db2.gz HYGRKLLWICTHAF-QFIPXVFZSA-N 0 1 444.560 4.526 50 0 IJAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)n(C)c(=O)n4C)[nH]2)cc1OC ZINC000096582009 569401770 /nfs/dbraw/zinc/40/17/70/569401770.db2.gz SOOAIONVSCKIEW-UHFFFAOYSA-N 0 1 440.503 4.618 50 0 IJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)c1 ZINC000003096185 569440059 /nfs/dbraw/zinc/44/00/59/569440059.db2.gz GUWFZCYMFRBXKQ-UHFFFAOYSA-N 0 1 445.338 4.811 50 0 IJAAMN O=S(=O)(Nc1ccc(Cl)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003128159 569440605 /nfs/dbraw/zinc/44/06/05/569440605.db2.gz ZYZJEFSOPDDCDM-UHFFFAOYSA-N 0 1 436.242 4.999 50 0 IJAAMN Cc1cc2cc(NS(=O)(=O)c3cc(Br)ccc3Br)ccc2[nH]1 ZINC000031721936 569457080 /nfs/dbraw/zinc/45/70/80/569457080.db2.gz TWQJNACNRGIWKP-UHFFFAOYSA-N 0 1 444.148 4.802 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCCCC2)cc1 ZINC000008343634 569462570 /nfs/dbraw/zinc/46/25/70/569462570.db2.gz NALJIJJIKAZVCT-AREMUKBSSA-N 0 1 431.580 4.746 50 0 IJAAMN O=C(NCc1ccccc1)C1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000040135435 569490713 /nfs/dbraw/zinc/49/07/13/569490713.db2.gz WKFIAFDZGKPLSX-UHFFFAOYSA-N 0 1 449.982 4.842 50 0 IJAAMN CCCCC(=O)N[C@](Nc1nc2ccc(C(C)C)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009090014 569501019 /nfs/dbraw/zinc/50/10/19/569501019.db2.gz WZSMTVPDEFDDAI-IBGZPJMESA-N 0 1 445.507 4.960 50 0 IJAAMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000009156836 569508334 /nfs/dbraw/zinc/50/83/34/569508334.db2.gz BWFXSGBDSPEUBL-UHFFFAOYSA-N 0 1 444.329 4.519 50 0 IJAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009160974 569508707 /nfs/dbraw/zinc/50/87/07/569508707.db2.gz SNLHFLHMKYXUGD-GFQWBHFJSA-N 0 1 448.522 4.557 50 0 IJAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)c1 ZINC000009184780 569510028 /nfs/dbraw/zinc/51/00/28/569510028.db2.gz MIRXWCRVXPSBGS-RUZDIDTESA-N 0 1 440.503 4.712 50 0 IJAAMN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000009269021 569517545 /nfs/dbraw/zinc/51/75/45/569517545.db2.gz KQJKUDNOUJKGDF-UHFFFAOYSA-N 0 1 436.917 4.684 50 0 IJAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1 ZINC000009409030 569530841 /nfs/dbraw/zinc/53/08/41/569530841.db2.gz LGLOGIFWILELKU-DEOSSOPVSA-N 0 1 435.524 4.543 50 0 IJAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)c1 ZINC000009409162 569530867 /nfs/dbraw/zinc/53/08/67/569530867.db2.gz VZFRXFULKISOAE-SANMLTNESA-N 0 1 439.515 4.969 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C[C@H](C)c2ccccc2)ccc1C ZINC000009546274 569546239 /nfs/dbraw/zinc/54/62/39/569546239.db2.gz JPENKSMNOYNBJD-SFHVURJKSA-N 0 1 438.549 4.937 50 0 IJAAMN CN(C)CCN(C(=O)c1ccc(Br)s1)c1nc2ccc(Cl)cc2s1 ZINC000009603876 569551792 /nfs/dbraw/zinc/55/17/92/569551792.db2.gz CPTRXGPDIJOTFA-UHFFFAOYSA-N 0 1 444.807 4.982 50 0 IJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009633691 569554282 /nfs/dbraw/zinc/55/42/82/569554282.db2.gz ZPKRODWXVNVPLP-UHFFFAOYSA-N 0 1 428.539 4.696 50 0 IJAAMN COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000009674130 569559121 /nfs/dbraw/zinc/55/91/21/569559121.db2.gz CFRIRIWDZIJKGA-UHFFFAOYSA-N 0 1 449.532 4.762 50 0 IJAAMN COCCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000009674176 569559168 /nfs/dbraw/zinc/55/91/68/569559168.db2.gz GLCCGESCJPSSTG-UHFFFAOYSA-N 0 1 445.972 4.651 50 0 IJAAMN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(Cl)c1)N(CCN(C)C)C3=O ZINC000010233055 569579414 /nfs/dbraw/zinc/57/94/14/569579414.db2.gz GIWICIIEMRTGIN-LJQANCHMSA-N 0 1 431.319 4.515 50 0 IJAAMN COc1cc2nc(-c3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)c2cc1OC ZINC000002284492 132251264 /nfs/dbraw/zinc/25/12/64/132251264.db2.gz YHTVBHMADGANMM-UHFFFAOYSA-N 0 1 440.547 4.636 50 0 IJAAMN CCOC(=O)c1ccc2nc(C(F)(F)F)cc(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000013466533 132347024 /nfs/dbraw/zinc/34/70/24/132347024.db2.gz FBFQIOANIPGLHM-UHFFFAOYSA-N 0 1 443.469 4.753 50 0 IJAAMN Brc1ccc(-c2nnc3sc(CN4CCc5ccccc5C4)cn32)cc1 ZINC000020851234 518209960 /nfs/dbraw/zinc/20/99/60/518209960.db2.gz QIFVNSFOYYITNR-UHFFFAOYSA-N 0 1 425.355 4.779 50 0 IJAAMN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(Cc3ccccc3)CC1)n2CCC ZINC000022804454 519878754 /nfs/dbraw/zinc/87/87/54/519878754.db2.gz RYJJRTQPWKGJFO-UHFFFAOYSA-N 0 1 433.600 4.503 50 0 IJAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1C ZINC000012605362 520340799 /nfs/dbraw/zinc/34/07/99/520340799.db2.gz HQSHHRICGFSAHC-UHFFFAOYSA-N 0 1 430.448 4.562 50 0 IJAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1 ZINC000020580642 521170554 /nfs/dbraw/zinc/17/05/54/521170554.db2.gz ZCPMLODWAVGEJY-UHFFFAOYSA-N 0 1 430.526 4.865 50 0 IJAAMN CCCN(Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268831 521684412 /nfs/dbraw/zinc/68/44/12/521684412.db2.gz CFBYVOHSNLCZMA-UHFFFAOYSA-N 0 1 449.576 4.852 50 0 IJAAMN COc1cc(-c2nc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc2c1OCO2 ZINC000020515812 521903835 /nfs/dbraw/zinc/90/38/35/521903835.db2.gz RQHPJOUGGLDOHI-MRXNPFEDSA-N 0 1 447.491 4.908 50 0 IJAAMN COc1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)ccc1F ZINC000012438077 522374183 /nfs/dbraw/zinc/37/41/83/522374183.db2.gz AAKSNWHRVQHZEW-LJQANCHMSA-N 0 1 435.499 4.872 50 0 IJAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000012603530 522497618 /nfs/dbraw/zinc/49/76/18/522497618.db2.gz NXUAIJKQSUAVCC-UHFFFAOYSA-N 0 1 437.714 4.748 50 0 IJAAMN CN(CCOc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000021324685 522907545 /nfs/dbraw/zinc/90/75/45/522907545.db2.gz NUNKEIHCGPOQSS-UHFFFAOYSA-N 0 1 425.941 4.587 50 0 IJAAMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 ZINC000012915398 523178273 /nfs/dbraw/zinc/17/82/73/523178273.db2.gz KLDWMBGQEIWOQJ-UHFFFAOYSA-N 0 1 444.516 4.708 50 0 IJAAMN CN(C)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000012140805 524058067 /nfs/dbraw/zinc/05/80/67/524058067.db2.gz PMZPCLDUMMPFLX-SOFGYWHQSA-N 0 1 436.400 4.728 50 0 IJAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035372800 524230879 /nfs/dbraw/zinc/23/08/79/524230879.db2.gz IZHVTBQRAVVZSX-UHFFFAOYSA-N 0 1 441.000 4.643 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CCC2CCCCC2)c1 ZINC000012630280 524644301 /nfs/dbraw/zinc/64/43/01/524644301.db2.gz PIUJLXRVCAVCLA-UHFFFAOYSA-N 0 1 432.542 4.501 50 0 IJAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000012737720 525244146 /nfs/dbraw/zinc/24/41/46/525244146.db2.gz HEZISJXIILNVJO-FQEVSTJZSA-N 0 1 448.510 4.539 50 0 IJAAMN COc1ccc([C@H](NC(=O)CSc2nc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 ZINC000012603824 525366138 /nfs/dbraw/zinc/36/61/38/525366138.db2.gz VMNSUIQRGMSONS-HSZRJFAPSA-N 0 1 433.533 4.578 50 0 IJAAMN Cc1[nH]c(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)nc1Cc1ccccc1 ZINC000016833511 525413107 /nfs/dbraw/zinc/41/31/07/525413107.db2.gz SRDFOYHKNCHOFN-INIZCTEOSA-N 0 1 434.565 4.553 50 0 IJAAMN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000035536887 525925956 /nfs/dbraw/zinc/92/59/56/525925956.db2.gz OAYJVBZFOJHWSP-FQEVSTJZSA-N 0 1 444.579 4.541 50 0 IJAAMN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000012577737 526216572 /nfs/dbraw/zinc/21/65/72/526216572.db2.gz OSLAREFRAHOGTR-JTQLQIEISA-N 0 1 435.336 4.726 50 0 IJAAMN O=C(c1ccc2ncccc2c1)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 ZINC000012152882 526737121 /nfs/dbraw/zinc/73/71/21/526737121.db2.gz FJMBOXKGEUNLHW-UHFFFAOYSA-N 0 1 449.554 4.828 50 0 IJAAMN O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)N3CCC[C@@]123 ZINC000012472246 527036864 /nfs/dbraw/zinc/03/68/64/527036864.db2.gz BPVRISAJLUOEDN-DDZLNHKNSA-N 0 1 441.600 4.715 50 0 IJAAMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)NCc1ccc(Cl)cc1Cl ZINC000012902456 527047063 /nfs/dbraw/zinc/04/70/63/527047063.db2.gz PUEXURMARAQKKG-FPYGCLRLSA-N 0 1 437.327 4.830 50 0 IJAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1nc(-c2ccccc2)cs1 ZINC000001119647 555636686 /nfs/dbraw/zinc/63/66/86/555636686.db2.gz LGUWTLMEFRIIER-UHFFFAOYSA-N 0 1 427.942 4.979 50 0 IJAAMN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(Cl)c1Cl ZINC000001128771 555643168 /nfs/dbraw/zinc/64/31/68/555643168.db2.gz NLJOJZOXACGHPJ-UHFFFAOYSA-N 0 1 425.131 4.874 50 0 IJAAMN C[C@H]1CN(Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C[C@H](C)O1 ZINC000032665575 556417142 /nfs/dbraw/zinc/41/71/42/556417142.db2.gz QNSHPODDWILZKK-SFTDATJTSA-N 0 1 447.579 4.590 50 0 IJAAMN COc1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cc(Cl)c1O ZINC000014971731 556467490 /nfs/dbraw/zinc/46/74/90/556467490.db2.gz HHOJAWOFESFVIU-UHFFFAOYSA-N 0 1 434.939 4.502 50 0 IJAAMN COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2cnn(C)c2)C(C)C)c(F)c1 ZINC000014975246 556468122 /nfs/dbraw/zinc/46/81/22/556468122.db2.gz UHZFAGBFBYYOKO-UHFFFAOYSA-N 0 1 433.531 4.831 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000029486107 556476616 /nfs/dbraw/zinc/47/66/16/556476616.db2.gz HZZCHVXMZSQLGM-DEOSSOPVSA-N 0 1 429.520 4.505 50 0 IJAAMN O=C(CC1=CCCCC1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015071593 556496170 /nfs/dbraw/zinc/49/61/70/556496170.db2.gz NGPHADNREFVULA-JOCHJYFZSA-N 0 1 435.534 4.709 50 0 IJAAMN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000015105861 556503828 /nfs/dbraw/zinc/50/38/28/556503828.db2.gz NCOHIRHLIXJATL-VWLOTQADSA-N 0 1 437.478 4.880 50 0 IJAAMN CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)=C(O)n1nnc2ccccc21 ZINC000032602753 556542624 /nfs/dbraw/zinc/54/26/24/556542624.db2.gz BXOWZCNNYZYNLS-DEOSSOPVSA-N 0 1 440.503 4.635 50 0 IJAAMN CC(=O)c1cccc(-n2c3c(c(S[C@H](N)c4cccc5ccccc54)nc2=O)CCC3)c1 ZINC000015840539 556556654 /nfs/dbraw/zinc/55/66/54/556556654.db2.gz VLZFZRPYJPLUDK-DEOSSOPVSA-N 0 1 441.556 4.827 50 0 IJAAMN Cn1ccnc1C(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015961863 556569387 /nfs/dbraw/zinc/56/93/87/556569387.db2.gz ADLJZQUEYBDTTJ-QFIPXVFZSA-N 0 1 425.536 4.572 50 0 IJAAMN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100101759 556580330 /nfs/dbraw/zinc/58/03/30/556580330.db2.gz BPIIFEXCEXNDFI-HSZRJFAPSA-N 0 1 426.476 4.666 50 0 IJAAMN CCCOc1c(Cl)cc([C@@H]2NC(=S)NC(CCC)=C2C(=O)OCC)cc1OCC ZINC000016382401 556603865 /nfs/dbraw/zinc/60/38/65/556603865.db2.gz LBKWPPFAWNXQAL-SFHVURJKSA-N 0 1 440.993 4.664 50 0 IJAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000135940499 556687998 /nfs/dbraw/zinc/68/79/98/556687998.db2.gz GCMPOJXQRBLRKU-ICDZXHCJSA-N 0 1 442.515 4.672 50 0 IJAAMN O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001129046 556691091 /nfs/dbraw/zinc/69/10/91/556691091.db2.gz YQEUAQDEJGKUJY-GZTJUZNOSA-N 0 1 441.270 4.915 50 0 IJAAMN COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc(OC)c1OC ZINC000005390560 556794708 /nfs/dbraw/zinc/79/47/08/556794708.db2.gz QTUQIDXTWFXHJM-QXWFJRNPSA-N 0 1 429.532 4.720 50 0 IJAAMN CC1CCN(Cc2nnc(-c3cn(CC(=O)NC4CCCCCC4)c4ccccc34)o2)CC1 ZINC000033129358 556868675 /nfs/dbraw/zinc/86/86/75/556868675.db2.gz RURVXTMOOGNZLE-UHFFFAOYSA-N 0 1 449.599 4.762 50 0 IJAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccnn3C)c2-c2nc3ccccc3s2)C1 ZINC000023128147 557012192 /nfs/dbraw/zinc/01/21/92/557012192.db2.gz IPXJNNZKYCMWQC-UHFFFAOYSA-N 0 1 437.594 4.777 50 0 IJAAMN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2cnc(C)s2)CC1 ZINC000020388658 557012419 /nfs/dbraw/zinc/01/24/19/557012419.db2.gz UMPGSQXSBVIZED-UHFFFAOYSA-N 0 1 426.504 4.858 50 0 IJAAMN O[C@@H](CSc1ccc(F)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421541 557015056 /nfs/dbraw/zinc/01/50/56/557015056.db2.gz OMVPTGIFRBDWKQ-XMMPIXPASA-N 0 1 436.596 4.686 50 0 IJAAMN Cc1nn(-c2ccc(Br)cc2)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056995 557028845 /nfs/dbraw/zinc/02/88/45/557028845.db2.gz JVAVAZLCFTYNME-SFHVURJKSA-N 0 1 438.325 4.869 50 0 IJAAMN Cc1sc2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(N)c2c1C ZINC000022925664 557048603 /nfs/dbraw/zinc/04/86/03/557048603.db2.gz GCLQSAUMZQITBD-UHFFFAOYSA-N 0 1 443.620 4.798 50 0 IJAAMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000085817297 557077454 /nfs/dbraw/zinc/07/74/54/557077454.db2.gz RJPQMVZCEOACKV-INIZCTEOSA-N 0 1 427.386 4.609 50 0 IJAAMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027574384 557266248 /nfs/dbraw/zinc/26/62/48/557266248.db2.gz GTPFANJLRWMKQW-UHFFFAOYSA-N 0 1 446.551 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/nfs/dbraw/zinc/80/26/36/568802636.db2.gz GBTGDBAUVREFCJ-UHFFFAOYSA-N 0 1 426.542 4.695 50 0 IJAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1noc2c1CCc1sccc1-2 ZINC000015733319 568815661 /nfs/dbraw/zinc/81/56/61/568815661.db2.gz VHCTUGSNYXZPTF-UHFFFAOYSA-N 0 1 441.984 4.797 50 0 IJAAMN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000036146065 568962069 /nfs/dbraw/zinc/96/20/69/568962069.db2.gz XBINMZJAJIGERJ-XZOQPEGZSA-N 0 1 445.003 4.820 50 0 IJAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](O)CC)C1CC1 ZINC000036302774 568993689 /nfs/dbraw/zinc/99/36/89/568993689.db2.gz GIZKXXIOOSDHPZ-OAQYLSRUSA-N 0 1 435.568 4.971 50 0 IJAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345789 569080769 /nfs/dbraw/zinc/08/07/69/569080769.db2.gz LPBXRGSDDUMBGF-VWLOTQADSA-N 0 1 449.595 4.730 50 0 IJAAMN FC(F)(F)c1cccc(CN2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257953 569124260 /nfs/dbraw/zinc/12/42/60/569124260.db2.gz LRDJSNMCBJCBSW-UHFFFAOYSA-N 0 1 443.473 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ZINC000009354777 569525081 /nfs/dbraw/zinc/52/50/81/569525081.db2.gz LPTQPNVWSSLZNH-HNNXBMFYSA-N 0 1 441.578 4.629 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000009409171 569530927 /nfs/dbraw/zinc/53/09/27/569530927.db2.gz HWGWMCJJEOFCAJ-AREMUKBSSA-N 0 1 439.515 4.887 50 0 IJAAMN CCc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCc1cccc(Br)c1 ZINC000009490240 569540127 /nfs/dbraw/zinc/54/01/27/569540127.db2.gz AWEGBELJYWLERJ-UHFFFAOYSA-N 0 1 441.354 4.726 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C[C@@H](C)c2ccccc2)ccc1C ZINC000009546271 569546250 /nfs/dbraw/zinc/54/62/50/569546250.db2.gz JPENKSMNOYNBJD-GOSISDBHSA-N 0 1 438.549 4.937 50 0 IJAAMN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000009796137 569568453 /nfs/dbraw/zinc/56/84/53/569568453.db2.gz KQJHXVLXAPOCHH-UHFFFAOYSA-N 0 1 447.973 4.859 50 0 IJAAMN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C)ccc1Cl ZINC000009942365 569574035 /nfs/dbraw/zinc/57/40/35/569574035.db2.gz GIKFZMLKMQHYQD-UHFFFAOYSA-N 0 1 440.975 4.929 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1ccccc1F ZINC000009942599 569574054 /nfs/dbraw/zinc/57/40/54/569574054.db2.gz BARCCBZMZNRVGM-HXUWFJFHSA-N 0 1 438.528 4.870 50 0 IJAAMN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(Cl)cc1)N(CCN(C)C)C3=O ZINC000010233058 569579400 /nfs/dbraw/zinc/57/94/00/569579400.db2.gz WVSACPCGHDIJDM-IBGZPJMESA-N 0 1 431.319 4.515 50 0 IJAAMN COc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)c(OC)c1 ZINC000010273314 569580224 /nfs/dbraw/zinc/58/02/24/569580224.db2.gz ICTVFOZSRZESMI-UHFFFAOYSA-N 0 1 427.258 4.573 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)c2cccc(OCc3cccnc3)c2)N2CCCCC2)cc1 ZINC000071800073 569581533 /nfs/dbraw/zinc/58/15/33/569581533.db2.gz XCWSGAVVXVCSFK-AREMUKBSSA-N 0 1 445.563 4.626 50 0 IJAAMN C[C@H]1CCCCN1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000008590041 132283690 /nfs/dbraw/zinc/28/36/90/132283690.db2.gz NAUNLPWRVSKAME-IBGZPJMESA-N 0 1 446.547 4.526 50 0 IJAAMN Clc1ccc(-c2noc3ncnc(NCCCN4CCN(c5ccccc5)CC4)c32)cc1 ZINC000008595468 132284776 /nfs/dbraw/zinc/28/47/76/132284776.db2.gz KTNYTHKCRQYXOX-UHFFFAOYSA-N 0 1 448.958 4.562 50 0 IJAAMN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000009224215 132309727 /nfs/dbraw/zinc/30/97/27/132309727.db2.gz ICRJUVCJXSAZNR-UHFFFAOYSA-N 0 1 428.330 4.508 50 0 IJAAMN CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1 ZINC000012605816 521182849 /nfs/dbraw/zinc/18/28/49/521182849.db2.gz ZOZMHCBWFCMEIR-UHFFFAOYSA-N 0 1 440.521 4.945 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(C)cc1)=N2 ZINC000035372519 521584923 /nfs/dbraw/zinc/58/49/23/521584923.db2.gz XNIPEATVOXLFHB-UHFFFAOYSA-N 0 1 434.609 4.689 50 0 IJAAMN COc1c2c(cc3c1[C@@H]([C@@H]1c4ccccc4-c4ccc(C(C)=O)cc41)N(C)CC3)OCO2 ZINC000012660622 521888980 /nfs/dbraw/zinc/88/89/80/521888980.db2.gz LQTAEKCRFQHJPA-RPBOFIJWSA-N 0 1 427.500 4.968 50 0 biogenic IJAAMN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000012385643 523334937 /nfs/dbraw/zinc/33/49/37/523334937.db2.gz 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Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000016993905 569169815 /nfs/dbraw/zinc/16/98/15/569169815.db2.gz GZWVSAQASIXCGT-QHCPKHFHSA-N 0 1 426.944 4.978 50 0 IJAAMN COc1ccc(C[C@H]2c3cc(OC)c(OC(=O)c4ccccc4)cc3CCN2C)cc1OC ZINC000019910093 569257098 /nfs/dbraw/zinc/25/70/98/569257098.db2.gz LMIHIXIVXAJHEY-QFIPXVFZSA-N 0 1 447.531 4.703 50 0 IJAAMN Cc1ccc(NC(=O)Cc2nc(CNCCc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000013116264 569310882 /nfs/dbraw/zinc/31/08/82/569310882.db2.gz UNWBTJAYLBSXHT-UHFFFAOYSA-N 0 1 433.499 4.984 50 0 IJAAMN Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H](c4nnc(-c5ccccc5)[nH]4)C3)o2)cc1 ZINC000095993292 569378304 /nfs/dbraw/zinc/37/83/04/569378304.db2.gz ZWCFDTIUWGQDDU-OAQYLSRUSA-N 0 1 441.535 4.774 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1ccc(F)cc1F)CC(=O)O2 ZINC000096116060 569383499 /nfs/dbraw/zinc/38/34/99/569383499.db2.gz BLHOCPCSVSHPNF-OAHLLOKOSA-N 0 1 436.366 4.590 50 0 biogenic IJAAMN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc(Cl)ccc2OC(F)F)n2ncnc2N1 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ICKKCSVHPKFOBD-XMMPIXPASA-N 0 1 429.476 4.822 50 0 IJAAMN O=C(NCc1n[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl ZINC000009369265 569526710 /nfs/dbraw/zinc/52/67/10/569526710.db2.gz URTMNSKMHWGXQO-UHFFFAOYSA-N 0 1 431.707 4.959 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OC3CCCC3)c(OC)c2)N2CCCC2)cc1 ZINC000069982138 569526897 /nfs/dbraw/zinc/52/68/97/569526897.db2.gz HRDCDIBZRHUSLK-HSZRJFAPSA-N 0 1 438.568 4.592 50 0 IJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000009409113 569530887 /nfs/dbraw/zinc/53/08/87/569530887.db2.gz QWVATGKYPQPEQI-RUZDIDTESA-N 0 1 449.551 4.931 50 0 IJAAMN CCOc1ccc2nc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)[nH]c2c1 ZINC000009466409 569538191 /nfs/dbraw/zinc/53/81/91/569538191.db2.gz ZAKAEQRGHQAUOO-ZDUSSCGKSA-N 0 1 426.567 4.883 50 0 IJAAMN O=C(CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccccc1)NC[C@H]1CCCO1 ZINC000009674085 569559089 /nfs/dbraw/zinc/55/90/89/569559089.db2.gz WSCQNYXDSVDPJR-GOSISDBHSA-N 0 1 427.957 4.784 50 0 IJAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000009738949 569564939 /nfs/dbraw/zinc/56/49/39/569564939.db2.gz RKDFCPFTCAVBIE-UHFFFAOYSA-N 0 1 431.311 4.502 50 0 IJAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778667 569567272 /nfs/dbraw/zinc/56/72/72/569567272.db2.gz YOKYVPSSSOWUNR-SFTDATJTSA-N 0 1 434.854 4.540 50 0 IJAAMN Cc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000009789016 569568026 /nfs/dbraw/zinc/56/80/26/569568026.db2.gz MAQCVWRKWAXBOE-FQEVSTJZSA-N 0 1 443.532 4.843 50 0 IJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827910 569569776 /nfs/dbraw/zinc/56/97/76/569569776.db2.gz JMTVFUODZDBIIP-UHFFFAOYSA-N 0 1 430.869 4.507 50 0 IJAAMN Cn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009942331 569574052 /nfs/dbraw/zinc/57/40/52/569574052.db2.gz QYOUIXGTWDCULU-UHFFFAOYSA-N 0 1 426.948 4.620 50 0 IJAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)c(Cl)c1)N(CCN(C)C)C3=O ZINC000010233102 569579437 /nfs/dbraw/zinc/57/94/37/569579437.db2.gz AXQHNLNSGNQYAM-HXUWFJFHSA-N 0 1 445.346 4.823 50 0 IJAAMN CCOC(=O)c1ccc(NC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020851318 569587134 /nfs/dbraw/zinc/58/71/34/569587134.db2.gz DRLBDWUDIODVMX-UHFFFAOYSA-N 0 1 429.948 4.550 50 0 IJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=S)Nc2c(C)cccc2C)CC1 ZINC000004791823 132274219 /nfs/dbraw/zinc/27/42/19/132274219.db2.gz RNCSTLCATMVCNO-UHFFFAOYSA-N 0 1 431.049 4.764 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccccc1)=N2 ZINC000035372683 521584866 /nfs/dbraw/zinc/58/48/66/521584866.db2.gz XQIHMZQTTUNPGN-UHFFFAOYSA-N 0 1 441.000 4.725 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccccc1)=N2 ZINC000035372567 521584998 /nfs/dbraw/zinc/58/49/98/521584998.db2.gz MXNNZNJWCFKBEO-UHFFFAOYSA-N 0 1 434.609 4.689 50 0 IJAAMN COC(=O)c1sc2nc(CN3CCCCC3)ccc2c1NC(=O)C1(c2ccccc2)CC1 ZINC000012152546 522436664 /nfs/dbraw/zinc/43/66/64/522436664.db2.gz WKZAMCAXZBRRKJ-UHFFFAOYSA-N 0 1 449.576 4.739 50 0 IJAAMN COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000021033222 523144255 /nfs/dbraw/zinc/14/42/55/523144255.db2.gz IEQQBKXQFFRQHI-UHFFFAOYSA-N 0 1 437.315 4.530 50 0 IJAAMN CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1n[nH]c2c1CCCC2 ZINC000012439849 523486135 /nfs/dbraw/zinc/48/61/35/523486135.db2.gz HMWCLRFMZHRHGB-UHFFFAOYSA-N 0 1 441.535 4.502 50 0 IJAAMN Cc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Cl)cc2)c1 ZINC000035372513 524599875 /nfs/dbraw/zinc/59/98/75/524599875.db2.gz OOLYFTOOPITRSQ-UHFFFAOYSA-N 0 1 441.000 4.643 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1C ZINC000020900758 524640845 /nfs/dbraw/zinc/64/08/45/524640845.db2.gz JMZCEKCNARTDSU-UHFFFAOYSA-N 0 1 435.505 4.538 50 0 IJAAMN C[C@@H](Cc1cccs1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012298945 524934591 /nfs/dbraw/zinc/93/45/91/524934591.db2.gz HLWJLPOTOMCZKV-IBGZPJMESA-N 0 1 435.593 4.548 50 0 IJAAMN Cc1ccccc1-c1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000011880785 525006786 /nfs/dbraw/zinc/00/67/86/525006786.db2.gz JZVCXTWIMQUGOF-FQEVSTJZSA-N 0 1 428.536 4.532 50 0 IJAAMN COc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000012737723 525407718 /nfs/dbraw/zinc/40/77/18/525407718.db2.gz HEZISJXIILNVJO-HXUWFJFHSA-N 0 1 448.510 4.539 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(C)cc3Cl)c2)c(C)c1 ZINC000021931931 525617292 /nfs/dbraw/zinc/61/72/92/525617292.db2.gz BEKFBLNNFDJFJG-UHFFFAOYSA-N 0 1 429.929 4.713 50 0 IJAAMN O=C(CSc1ncnc2c1sc1cccc(F)c12)N1CCN(C2CCCCC2)CC1 ZINC000021153314 527073791 /nfs/dbraw/zinc/07/37/91/527073791.db2.gz BNXYYZPBYLBKTA-UHFFFAOYSA-N 0 1 444.601 4.553 50 0 IJAAMN Cn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000021357126 527115494 /nfs/dbraw/zinc/11/54/94/527115494.db2.gz MPMQFWSWZSHKFA-UHFFFAOYSA-N 0 1 425.941 4.813 50 0 IJAAMN CCOc1ccccc1S(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C ZINC000009278566 555507237 /nfs/dbraw/zinc/50/72/37/555507237.db2.gz BIJCVQOQZBXTBF-UHFFFAOYSA-N 0 1 425.535 4.866 50 0 IJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Cl)c1 ZINC000001128077 555642573 /nfs/dbraw/zinc/64/25/73/555642573.db2.gz LKOAHRMYENGFMC-INIZCTEOSA-N 0 1 428.941 4.940 50 0 IJAAMN COc1cccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)c1OC ZINC000034682608 555816713 /nfs/dbraw/zinc/81/67/13/555816713.db2.gz ONJLBCJOLZWYKK-UHFFFAOYSA-N 0 1 428.548 4.887 50 0 IJAAMN COc1cc(CN2CCC(N(C(=O)c3cccs3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683530 555819091 /nfs/dbraw/zinc/81/90/91/555819091.db2.gz RRZBNTCGKZGETE-UHFFFAOYSA-N 0 1 440.540 4.913 50 0 IJAAMN COc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1F ZINC000008437911 556173966 /nfs/dbraw/zinc/17/39/66/556173966.db2.gz CNGCLFKQCUQPLB-UHFFFAOYSA-N 0 1 431.305 4.861 50 0 IJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccccc2OC)cc1 ZINC000008595771 556190290 /nfs/dbraw/zinc/19/02/90/556190290.db2.gz FKHLIPZHWJWUCR-HSZRJFAPSA-N 0 1 443.459 4.605 50 0 aggregator IJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008595779 556190509 /nfs/dbraw/zinc/19/05/09/556190509.db2.gz NMGXZYUYMYVGRC-QHCPKHFHSA-N 0 1 443.459 4.605 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCCC2)cc1 ZINC000032623504 556410675 /nfs/dbraw/zinc/41/06/75/556410675.db2.gz TYQBVIJOJVUGEE-XMMPIXPASA-N 0 1 433.552 4.924 50 0 IJAAMN COc1ccc2nc(SCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)[nH]c2c1 ZINC000032668354 556418192 /nfs/dbraw/zinc/41/81/92/556418192.db2.gz BKVJCLNORVFXTR-QGZVFWFLSA-N 0 1 438.534 4.696 50 0 IJAAMN COc1ccc(CN(CC(=O)NCCc2ccc(F)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000013001914 556433677 /nfs/dbraw/zinc/43/36/77/556433677.db2.gz HHFKKUPWLWYWCV-LJQANCHMSA-N 0 1 440.584 4.688 50 0 IJAAMN Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cs1 ZINC000029957013 556487350 /nfs/dbraw/zinc/48/73/50/556487350.db2.gz NWABSGTYFLBGEZ-LJQANCHMSA-N 0 1 430.455 4.795 50 0 IJAAMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1Cl ZINC000030531699 556496903 /nfs/dbraw/zinc/49/69/03/556496903.db2.gz PIEPSNFCAZOOSQ-INIZCTEOSA-N 0 1 443.352 4.529 50 0 IJAAMN CC(=O)N(c1nc(COC(=O)[C@H](C(C)C)N2CCCC2)cs1)c1cccc(C)c1C ZINC000072294132 556506463 /nfs/dbraw/zinc/50/64/63/556506463.db2.gz NGAJJMHQPBWNPV-NRFANRHFSA-N 0 1 429.586 4.608 50 0 IJAAMN COc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000015946332 556567452 /nfs/dbraw/zinc/56/74/52/556567452.db2.gz KGZQGRZFBSIMRM-QGZVFWFLSA-N 0 1 436.375 4.715 50 0 IJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000015947175 556568103 /nfs/dbraw/zinc/56/81/03/556568103.db2.gz RRMJACAZYSLNFX-OAQYLSRUSA-N 0 1 433.533 4.774 50 0 IJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016993871 556652002 /nfs/dbraw/zinc/65/20/02/556652002.db2.gz OSONFRSYLMTTCN-QHCPKHFHSA-N 0 1 430.895 4.885 50 0 IJAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n[nH]1 ZINC000072331263 556730086 /nfs/dbraw/zinc/73/00/86/556730086.db2.gz OQXPFHUJKUQQEA-UHFFFAOYSA-N 0 1 432.568 4.835 50 0 IJAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)n[nH]1 ZINC000072331265 556730169 /nfs/dbraw/zinc/73/01/69/556730169.db2.gz XYMIGEDCFJLXSP-UHFFFAOYSA-N 0 1 432.568 4.835 50 0 IJAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000058198260 556770881 /nfs/dbraw/zinc/77/08/81/556770881.db2.gz XQTZQOKVJXKRHT-SFHVURJKSA-N 0 1 438.519 4.888 50 0 IJAAMN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC000058404322 556785696 /nfs/dbraw/zinc/78/56/96/556785696.db2.gz TWUNTKHKXFDTBE-UHFFFAOYSA-N 0 1 429.854 4.743 50 0 IJAAMN CC1=CC(C)(C)N(C(=O)CN2CCC(Cc3ccccc3)CC2)c2cc3c(cc21)OCCO3 ZINC000334161142 556837049 /nfs/dbraw/zinc/83/70/49/556837049.db2.gz UYTCXCQSRGCODE-UHFFFAOYSA-N 0 1 446.591 4.941 50 0 IJAAMN CCOc1ccc(C[N@@H+](CC)Cc2cc(=O)n3[n-]c(-c4cccc(Cl)c4)cc3n2)cc1 ZINC000033126301 556867081 /nfs/dbraw/zinc/86/70/81/556867081.db2.gz APZHQQVCKDBBBW-UHFFFAOYSA-N 0 1 436.943 4.764 50 0 IJAAMN C[N@@H+](CC[C@@H](Oc1ccc(C(=O)c2nccs2)cc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000071773469 556888041 /nfs/dbraw/zinc/88/80/41/556888041.db2.gz PFYHOXGTFSSYBE-LJQANCHMSA-N 0 1 444.940 4.554 50 0 in-vitro IJAAMN CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000019788871 556914505 /nfs/dbraw/zinc/91/45/05/556914505.db2.gz YIFHGSDCUKLYIS-UHFFFAOYSA-N 0 1 435.837 4.841 50 0 IJAAMN Cc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000023119064 557006804 /nfs/dbraw/zinc/00/68/04/557006804.db2.gz LCESUBUOCYDSOA-OAQYLSRUSA-N 0 1 437.492 4.774 50 0 IJAAMN Cc1nn2c(nc(C)cc2N2CCN(Cc3ccccc3)CC2)c1-c1ccccc1Cl ZINC000023114916 557063983 /nfs/dbraw/zinc/06/39/83/557063983.db2.gz GJZZCAIXSNQROI-UHFFFAOYSA-N 0 1 431.971 4.989 50 0 IJAAMN COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NC(=O)c3ccccc3)c2C(C)C)cc1 ZINC000000719275 557149179 /nfs/dbraw/zinc/14/91/79/557149179.db2.gz HUGWBWXSEQGXMU-UHFFFAOYSA-N 0 1 439.533 4.918 50 0 IJAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206994890 557169187 /nfs/dbraw/zinc/16/91/87/557169187.db2.gz MCAYTSVSYHPAFL-NRFANRHFSA-N 0 1 441.940 4.779 50 0 IJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000018178789 557245983 /nfs/dbraw/zinc/24/59/83/557245983.db2.gz JINUOYVBKLCCIQ-HSZRJFAPSA-N 0 1 446.894 4.590 50 0 IJAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102712494 557373968 /nfs/dbraw/zinc/37/39/68/557373968.db2.gz DOMCVTQHEFCIBE-BHDDXSALSA-N 0 1 436.870 4.839 50 0 IJAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCc5ccccc5)C4=O)cc3)sc2c1 ZINC000033526148 557404017 /nfs/dbraw/zinc/40/40/17/557404017.db2.gz NLNKXNIAJPUINU-NRFANRHFSA-N 0 1 427.529 4.693 50 0 IJAAMN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000040156097 557706439 /nfs/dbraw/zinc/70/64/39/557706439.db2.gz DXPBWSSXYGJRPG-UHFFFAOYSA-N 0 1 430.493 4.691 50 0 IJAAMN CC(C)CCOc1ccc2[nH]c(-c3cc(N4CCC[C@@H]4CS(C)(=O)=O)ccn3)cc2c1 ZINC000225465381 557725889 /nfs/dbraw/zinc/72/58/89/557725889.db2.gz UCUHZXMDWNKYTH-HXUWFJFHSA-N 0 1 441.597 4.668 50 0 IJAAMN CCOc1ccccc1-c1n[nH]c(SCC(=O)c2ccc(OC)c(Br)c2)n1 ZINC000008587531 562950308 /nfs/dbraw/zinc/95/03/08/562950308.db2.gz SNUQHJVXWABVAL-UHFFFAOYSA-N 0 1 448.342 4.617 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccccc2)cc1 ZINC000008606553 562956991 /nfs/dbraw/zinc/95/69/91/562956991.db2.gz UVGLSPQSYDRUON-RUZDIDTESA-N 0 1 425.488 4.579 50 0 aggregator IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009243695 562968445 /nfs/dbraw/zinc/96/84/45/562968445.db2.gz KHEFPWFHLNTGCL-VWLOTQADSA-N 0 1 443.478 4.718 50 0 IJAAMN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000009790144 562976971 /nfs/dbraw/zinc/97/69/71/562976971.db2.gz BYLYWOKLAASVJQ-HSZRJFAPSA-N 0 1 443.551 4.839 50 0 IJAAMN CCCC(=O)N[C@](Nc1ccc(Cl)cc1C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000003663238 568753649 /nfs/dbraw/zinc/75/36/49/568753649.db2.gz WJBRWKBDYGQBHX-CQSZACIVSA-N 0 1 434.764 4.509 50 0 IJAAMN CCCC[C@H](CC)CNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000004063115 568760060 /nfs/dbraw/zinc/76/00/60/568760060.db2.gz HDWMZLOXEHLERX-KRWYSWARSA-N 0 1 430.633 4.696 50 0 biogenic IJAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)Nc1ccccc1F ZINC000101832410 568860157 /nfs/dbraw/zinc/86/01/57/568860157.db2.gz MLHQKQROBILOQV-UHFFFAOYSA-N 0 1 436.512 4.942 50 0 IJAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064558170 568932093 /nfs/dbraw/zinc/93/20/93/568932093.db2.gz WQMDBVXFMGMNAN-QFIPXVFZSA-N 0 1 449.528 4.725 50 0 IJAAMN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064670020 568943681 /nfs/dbraw/zinc/94/36/81/568943681.db2.gz BOPQGACXKKXXQM-UHFFFAOYSA-N 0 1 428.457 4.947 50 0 IJAAMN CC(C)COC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146354 568962441 /nfs/dbraw/zinc/96/24/41/568962441.db2.gz MQIMXLXJMULQLV-RTWAWAEBSA-N 0 1 448.966 4.508 50 0 IJAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)CC)C1CC1 ZINC000036302777 568993651 /nfs/dbraw/zinc/99/36/51/568993651.db2.gz GIZKXXIOOSDHPZ-NRFANRHFSA-N 0 1 435.568 4.971 50 0 IJAAMN CCCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313645 568998683 /nfs/dbraw/zinc/99/86/83/568998683.db2.gz GWOXUSQXRQCJML-JOCHJYFZSA-N 0 1 437.584 4.879 50 0 IJAAMN COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036344464 569080193 /nfs/dbraw/zinc/08/01/93/569080193.db2.gz SFRLLDRWJOHOSC-VWLOTQADSA-N 0 1 449.595 4.730 50 0 IJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346313 569081222 /nfs/dbraw/zinc/08/12/22/569081222.db2.gz VAIJRKUYJCVGPW-JOCHJYFZSA-N 0 1 441.547 4.720 50 0 IJAAMN COc1cccc(NS(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)c1 ZINC000065008657 569087750 /nfs/dbraw/zinc/08/77/50/569087750.db2.gz XGTXRIYMCLUMFQ-UHFFFAOYSA-N 0 1 439.562 4.933 50 0 IJAAMN CC(C)c1noc(-c2cccnc2N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065257924 569124155 /nfs/dbraw/zinc/12/41/55/569124155.db2.gz BILRZQQTQCJWRC-UHFFFAOYSA-N 0 1 445.489 4.986 50 0 IJAAMN O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000170619496 569147619 /nfs/dbraw/zinc/14/76/19/569147619.db2.gz KQVAXZFTIJXUSX-UHFFFAOYSA-N 0 1 432.303 4.900 50 0 IJAAMN COc1cc(S(=O)(=O)Nc2ccccc2Oc2cccc(C)c2)ccc1NC(C)=O ZINC000089677875 569161263 /nfs/dbraw/zinc/16/12/63/569161263.db2.gz KHGXFFVAHFXAMN-UHFFFAOYSA-N 0 1 426.494 4.555 50 0 IJAAMN COc1cc(CNCc2cc(Cl)ccc2OCc2cccnc2)cc(OC)c1OC ZINC000027217420 569186138 /nfs/dbraw/zinc/18/61/38/569186138.db2.gz DDHFWCHZOSUHEO-UHFFFAOYSA-N 0 1 428.916 4.630 50 0 IJAAMN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)no2)cc1C ZINC000011903836 569303334 /nfs/dbraw/zinc/30/33/34/569303334.db2.gz MMZSXSGTYAZCAA-HSZRJFAPSA-N 0 1 449.551 4.624 50 0 IJAAMN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000013040445 569307945 /nfs/dbraw/zinc/30/79/45/569307945.db2.gz VHQUNMPKVVNNDO-UHFFFAOYSA-N 0 1 429.369 4.893 50 0 IJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)c(Cl)cc2Cl)c1 ZINC000013097058 569309570 /nfs/dbraw/zinc/30/95/70/569309570.db2.gz HWOFJSPADHDPKQ-UHFFFAOYSA-N 0 1 429.369 4.879 50 0 IJAAMN CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(OC)cc3)cc2n1 ZINC000013347382 569313106 /nfs/dbraw/zinc/31/31/06/569313106.db2.gz IUVZTQNWEKTVRU-UHFFFAOYSA-N 0 1 436.943 4.764 50 0 IJAAMN Cc1ccc([C@@H](NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000095347356 569361499 /nfs/dbraw/zinc/36/14/99/569361499.db2.gz MVUIVABVLDBQOH-HFZDXXHNSA-N 0 1 448.588 4.870 50 0 IJAAMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000095444016 569366971 /nfs/dbraw/zinc/36/69/71/569366971.db2.gz QLNPRVGFCQDGQU-UHFFFAOYSA-N 0 1 431.414 4.816 50 0 IJAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)s2)n[nH]1 ZINC000096341455 569396755 /nfs/dbraw/zinc/39/67/55/569396755.db2.gz VSPJDICJBUJELL-UHFFFAOYSA-N 0 1 426.361 4.627 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc4c(c3)CCC4)nc2c1 ZINC000002662621 569416266 /nfs/dbraw/zinc/41/62/66/569416266.db2.gz RHWCSBAJPUOVMW-UHFFFAOYSA-N 0 1 435.505 4.870 50 0 IJAAMN C[C@@H]1CCc2c(sc3ncnc(N4CCN(Cc5cccc6cccnc65)CC4)c23)C1 ZINC000057378952 569432660 /nfs/dbraw/zinc/43/26/60/569432660.db2.gz FZMAGDWKARZXQS-QGZVFWFLSA-N 0 1 429.593 4.687 50 0 IJAAMN CN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003215312 569441808 /nfs/dbraw/zinc/44/18/08/569441808.db2.gz TUIPONWURDUEQX-UHFFFAOYSA-N 0 1 445.338 4.527 50 0 IJAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cc3ccccc3)n2)cc1 ZINC000003406527 569449944 /nfs/dbraw/zinc/44/99/44/569449944.db2.gz MHOOOWXIBWGQJV-UHFFFAOYSA-N 0 1 430.533 4.802 50 0 IJAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000008817247 569476837 /nfs/dbraw/zinc/47/68/37/569476837.db2.gz YYTZHEODKSUXLY-IBGZPJMESA-N 0 1 432.351 4.967 50 0 IJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840960 569478441 /nfs/dbraw/zinc/47/84/41/569478441.db2.gz XDSALKZAMYSPMD-UHFFFAOYSA-N 0 1 430.570 4.520 50 0 IJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008845303 569478787 /nfs/dbraw/zinc/47/87/87/569478787.db2.gz RMSOXBTYIBCEIL-DFBJGRDBSA-N 0 1 447.535 4.685 50 0 IJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2cccc(O)c2)N(Cc2ccccc2)C3=O)c1 ZINC000009124114 569504297 /nfs/dbraw/zinc/50/42/97/569504297.db2.gz CQMOGGNNCDXFLA-DEOSSOPVSA-N 0 1 425.488 4.850 50 0 IJAAMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000009126661 569504996 /nfs/dbraw/zinc/50/49/96/569504996.db2.gz QKFMBTKVJVRZRB-UHFFFAOYSA-N 0 1 431.565 4.842 50 0 IJAAMN CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nc(C)c(-c3ccccc3)[nH]2)nc1C ZINC000009191510 569510626 /nfs/dbraw/zinc/51/06/26/569510626.db2.gz FXFBMNXQUMGXGJ-HNNXBMFYSA-N 0 1 444.582 4.836 50 0 IJAAMN COc1cc(OC)c(OC)cc1CN1CCC(Nc2ccc(Br)cc2)CC1 ZINC000009290969 569519826 /nfs/dbraw/zinc/51/98/26/569519826.db2.gz MQAIQDOTIBOMSJ-UHFFFAOYSA-N 0 1 435.362 4.551 50 0 IJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000009408989 569530791 /nfs/dbraw/zinc/53/07/91/569530791.db2.gz JRTHSWZGOBNTTR-XMMPIXPASA-N 0 1 429.476 4.910 50 0 IJAAMN O=c1c2c[nH]nc2nc(SCc2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000009495585 569541052 /nfs/dbraw/zinc/54/10/52/569541052.db2.gz UWIFNAVSLBBICM-UHFFFAOYSA-N 0 1 447.745 4.817 50 0 IJAAMN O=C(Cc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000009586159 569549630 /nfs/dbraw/zinc/54/96/30/569549630.db2.gz YMNRQOCPTUBTOA-UHFFFAOYSA-N 0 1 435.332 4.975 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(F)c3)nn2[C@H]1c1cccs1 ZINC000009597523 569550937 /nfs/dbraw/zinc/55/09/37/569550937.db2.gz FQUYCRVTUJPNOK-KRWDZBQOSA-N 0 1 430.530 4.623 50 0 IJAAMN COCCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccc(C)cc1 ZINC000009674160 569559066 /nfs/dbraw/zinc/55/90/66/569559066.db2.gz WJJSZKVPHBYARS-UHFFFAOYSA-N 0 1 429.973 4.950 50 0 IJAAMN Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000009674093 569559117 /nfs/dbraw/zinc/55/91/17/569559117.db2.gz BNYFSTWCAINBDE-LJQANCHMSA-N 0 1 425.529 4.579 50 0 IJAAMN Cc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054274616 193929779 /nfs/dbraw/zinc/92/97/79/193929779.db2.gz YXYPPZRNHXYPTE-UHFFFAOYSA-N 0 1 447.970 4.559 50 0 IJAAMN c1ccc(CN2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000013069426 132344017 /nfs/dbraw/zinc/34/40/17/132344017.db2.gz BNJQCKSLBJAEOF-UHFFFAOYSA-N 0 1 441.604 4.954 50 0 IJAAMN CC1CCN([C@H](CNC(=O)c2cc(F)ccc2Br)c2cccs2)CC1 ZINC000022680974 521035924 /nfs/dbraw/zinc/03/59/24/521035924.db2.gz HYGFNQBWHYTLCE-QGZVFWFLSA-N 0 1 425.367 4.853 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccccc1)=N2 ZINC000035372610 521585309 /nfs/dbraw/zinc/58/53/09/521585309.db2.gz NKEWGMARJHGMNM-UHFFFAOYSA-N 0 1 434.609 4.689 50 0 IJAAMN CCc1ccccc1NC(=O)Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21 ZINC000035226096 521882517 /nfs/dbraw/zinc/88/25/17/521882517.db2.gz RMDONGWZKJNPDV-UHFFFAOYSA-N 0 1 443.551 4.878 50 0 IJAAMN COC(=O)c1ccc(-c2nc(CN3CCC[C@H](COc4cccc(F)c4)C3)c(C)o2)cc1 ZINC000012589472 521929143 /nfs/dbraw/zinc/92/91/43/521929143.db2.gz YZUYPRHMFSTVTH-SFHVURJKSA-N 0 1 438.499 4.867 50 0 IJAAMN 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ZINC000072331268 556730208 /nfs/dbraw/zinc/73/02/08/556730208.db2.gz OOAPFOSWQMGKED-UHFFFAOYSA-N 0 1 438.959 4.871 50 0 IJAAMN COc1cc(C)ccc1Oc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cn1 ZINC000058147572 556762041 /nfs/dbraw/zinc/76/20/41/556762041.db2.gz IBSFWKSTGOIKTP-KRWDZBQOSA-N 0 1 426.542 4.677 50 0 IJAAMN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)cc1 ZINC000033071625 556852029 /nfs/dbraw/zinc/85/20/29/556852029.db2.gz VIGBUVGCOCOZLC-KRWDZBQOSA-N 0 1 426.948 4.536 50 0 IJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000033173868 556883940 /nfs/dbraw/zinc/88/39/40/556883940.db2.gz MDWCKYZFQJNFGH-LLVKDONJSA-N 0 1 429.489 4.547 50 0 IJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000033173781 556884024 /nfs/dbraw/zinc/88/40/24/556884024.db2.gz DMJLBDLGZFGFTE-UHFFFAOYSA-N 0 1 435.880 4.597 50 0 IJAAMN CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 ZINC000019891164 556939546 /nfs/dbraw/zinc/93/95/46/556939546.db2.gz 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Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(-c4ccc(F)cc4)o3)c2)cc1Cl ZINC000046914527 557513778 /nfs/dbraw/zinc/51/37/78/557513778.db2.gz BIYOFYFZJJSRAZ-UHFFFAOYSA-N 0 1 432.864 4.633 50 0 IJAAMN Cc1[nH]ncc1CNC(=O)c1cc2occc2c(Nc2ccc(Br)c(C)c2)n1 ZINC000096323738 557779340 /nfs/dbraw/zinc/77/93/40/557779340.db2.gz JBOXYIXTOHNGOM-UHFFFAOYSA-N 0 1 440.301 4.604 50 0 IJAAMN CC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003306290 568745855 /nfs/dbraw/zinc/74/58/55/568745855.db2.gz NUWROYAJDRNFOD-UHFFFAOYSA-N 0 1 428.897 4.596 50 0 IJAAMN Cc1cc(C)cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000001401709 568786524 /nfs/dbraw/zinc/78/65/24/568786524.db2.gz FULZYJXWNYQDSI-UHFFFAOYSA-N 0 1 429.851 4.962 50 0 IJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 ZINC000001429987 568794332 /nfs/dbraw/zinc/79/43/32/568794332.db2.gz UOZAXQAGQUMWAI-UHFFFAOYSA-N 0 1 427.913 4.773 50 0 IJAAMN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000085621689 568828488 /nfs/dbraw/zinc/82/84/88/568828488.db2.gz SDHISWAQLZBVEN-UHFFFAOYSA-N 0 1 434.399 4.551 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000006146430 568846062 /nfs/dbraw/zinc/84/60/62/568846062.db2.gz UJSSDSKISZBCNL-UHFFFAOYSA-N 0 1 434.876 4.541 50 0 IJAAMN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147014 568846256 /nfs/dbraw/zinc/84/62/56/568846256.db2.gz DSEHWKYRWRRZJQ-UHFFFAOYSA-N 0 1 438.402 4.898 50 0 IJAAMN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(N2C(=O)C3=CCC=C[C@@H]3C2=O)s1 ZINC000669368921 568883942 /nfs/dbraw/zinc/88/39/42/568883942.db2.gz QZBLVLVEZAACBV-CALCHBBNSA-N 0 1 439.606 4.976 50 0 IJAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5OC)coc-4c32)cc1 ZINC000524729237 568904012 /nfs/dbraw/zinc/90/40/12/568904012.db2.gz KPFICKFNRDOYJA-QGZVFWFLSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064557951 568931962 /nfs/dbraw/zinc/93/19/62/568931962.db2.gz BIDXWEGUTVUHIA-NRFANRHFSA-N 0 1 437.492 4.720 50 0 IJAAMN O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102590 568952719 /nfs/dbraw/zinc/95/27/19/568952719.db2.gz STGJYJZOKKCHLW-NRFANRHFSA-N 0 1 443.902 4.650 50 0 IJAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146357 568962558 /nfs/dbraw/zinc/96/25/58/568962558.db2.gz GJEGMAMBLPROLE-PMACEKPBSA-N 0 1 448.966 4.650 50 0 IJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCC ZINC000036304879 568994796 /nfs/dbraw/zinc/99/47/96/568994796.db2.gz CIDVVVLVOPKGBZ-HSZRJFAPSA-N 0 1 437.584 4.891 50 0 IJAAMN COc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341053 569079082 /nfs/dbraw/zinc/07/90/82/569079082.db2.gz AQUXEAZUDDGTKP-HSZRJFAPSA-N 0 1 425.960 4.758 50 0 IJAAMN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344037 569080061 /nfs/dbraw/zinc/08/00/61/569080061.db2.gz SQJKTIIPOKRECY-RUZDIDTESA-N 0 1 435.568 4.504 50 0 IJAAMN CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344164 569080063 /nfs/dbraw/zinc/08/00/63/569080063.db2.gz DCNLOEYUWFADFF-DEOSSOPVSA-N 0 1 435.568 4.504 50 0 IJAAMN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346726 569081346 /nfs/dbraw/zinc/08/13/46/569081346.db2.gz CVLMCRTVGMIXQQ-OAQYLSRUSA-N 0 1 427.495 4.987 50 0 IJAAMN CC(=O)Nc1cccc([C@H](C)OC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC000252516102 569189139 /nfs/dbraw/zinc/18/91/39/569189139.db2.gz QCRINRPYCNDIIK-ONGXBYRLSA-N 0 1 434.458 4.560 50 0 IJAAMN COc1ccc2[nH]c(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3cccnc3)cc2c1 ZINC000066087588 569205640 /nfs/dbraw/zinc/20/56/40/569205640.db2.gz SPACFUINEQBVGB-SANMLTNESA-N 0 1 449.514 4.750 50 0 IJAAMN Cc1nccc(C(=O)Nc2cc(-c3nc4ccc(Br)cc4[nH]3)ccc2Cl)n1 ZINC000079015564 569321978 /nfs/dbraw/zinc/32/19/78/569321978.db2.gz HNQOSNUYFPFVML-UHFFFAOYSA-N 0 1 442.704 4.997 50 0 IJAAMN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095454906 569368380 /nfs/dbraw/zinc/36/83/80/569368380.db2.gz CIYCILITTUWUJJ-KRWDZBQOSA-N 0 1 431.418 4.782 50 0 IJAAMN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095454906 569368381 /nfs/dbraw/zinc/36/83/81/569368381.db2.gz CIYCILITTUWUJJ-KRWDZBQOSA-N 0 1 431.418 4.782 50 0 IJAAMN COc1ccc(-c2nnc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)cc1 ZINC000095469773 569371723 /nfs/dbraw/zinc/37/17/23/569371723.db2.gz RJHCCGDLRLZRMA-UHFFFAOYSA-N 0 1 440.547 4.652 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000057322917 569431136 /nfs/dbraw/zinc/43/11/36/569431136.db2.gz WTLOEACESGKXIW-INIZCTEOSA-N 0 1 437.927 4.890 50 0 IJAAMN O=c1c2c[nH]nc2nc(SCc2c(F)cccc2F)n1-c1cccc(C(F)(F)F)c1 ZINC000003014314 569435435 /nfs/dbraw/zinc/43/54/35/569435435.db2.gz JBYLEFIUIBRDPA-UHFFFAOYSA-N 0 1 438.381 4.698 50 0 IJAAMN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000230195741 569440015 /nfs/dbraw/zinc/44/00/15/569440015.db2.gz DLUOLNUWOQNETR-JPYJTQIMSA-N 0 1 441.934 4.794 50 0 IJAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000038651927 569465752 /nfs/dbraw/zinc/46/57/52/569465752.db2.gz NEIXQBYBYIPRJE-UHFFFAOYSA-N 0 1 447.539 4.610 50 0 IJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000008845305 569478866 /nfs/dbraw/zinc/47/88/66/569478866.db2.gz RMSOXBTYIBCEIL-CLOONOSVSA-N 0 1 447.535 4.685 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccccc2F)cc1 ZINC000009124685 569504426 /nfs/dbraw/zinc/50/44/26/569504426.db2.gz CMPNJKZDJBYOBY-RUZDIDTESA-N 0 1 443.478 4.718 50 0 IJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(CCCO)C3=O)cc1Cl ZINC000009242983 569514770 /nfs/dbraw/zinc/51/47/70/569514770.db2.gz MJROCMIFQPULHE-QHCPKHFHSA-N 0 1 439.943 4.795 50 0 IJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(C(C)(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009243394 569514892 /nfs/dbraw/zinc/51/48/92/569514892.db2.gz MOOGPXCCGWYOHO-JOCHJYFZSA-N 0 1 439.943 4.579 50 0 IJAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)o1 ZINC000009244639 569515123 /nfs/dbraw/zinc/51/51/23/569515123.db2.gz VVMBKVPBXHLQKU-OAQYLSRUSA-N 0 1 430.508 4.601 50 0 IJAAMN CCOC(=O)Nc1ccc2c(CSc3nc(-c4ccccc4F)n[nH]3)cc(=O)oc2c1 ZINC000009384870 569528408 /nfs/dbraw/zinc/52/84/08/569528408.db2.gz YDLJYVRLRPUCHO-UHFFFAOYSA-N 0 1 440.456 4.578 50 0 IJAAMN O=S(=O)(N[C@H]1CCCC[C@@H]1N1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000009408736 569530635 /nfs/dbraw/zinc/53/06/35/569530635.db2.gz AWYXKHMGPIPJSC-GOTSBHOMSA-N 0 1 431.001 4.719 50 0 IJAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000009409070 569530773 /nfs/dbraw/zinc/53/07/73/569530773.db2.gz PBOYVOOGAYAQKB-VWLOTQADSA-N 0 1 449.551 4.933 50 0 IJAAMN CCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)c1 ZINC000009409074 569530847 /nfs/dbraw/zinc/53/08/47/569530847.db2.gz OGAAEQJQYIGJPC-DEOSSOPVSA-N 0 1 435.524 4.543 50 0 IJAAMN Cc1ccc(-c2nnc(-c3ccc(C(=O)NC[C@@H](c4ccco4)N4CCCC4)cc3)o2)cc1 ZINC000009460371 569536927 /nfs/dbraw/zinc/53/69/27/569536927.db2.gz MALUEAUBIREQTB-QFIPXVFZSA-N 0 1 442.519 4.872 50 0 IJAAMN CCOc1ccc2nc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)[nH]c2c1 ZINC000009466411 569538205 /nfs/dbraw/zinc/53/82/05/569538205.db2.gz ZAKAEQRGHQAUOO-CYBMUJFWSA-N 0 1 426.567 4.883 50 0 IJAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)c1 ZINC000009540773 569545863 /nfs/dbraw/zinc/54/58/63/569545863.db2.gz ZAJOCNYRAWQCLB-XMMPIXPASA-N 0 1 440.503 4.548 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009619738 569553386 /nfs/dbraw/zinc/55/33/86/569553386.db2.gz YMJAHWZRTWNZIH-INIZCTEOSA-N 0 1 435.578 4.580 50 0 IJAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778703 569567346 /nfs/dbraw/zinc/56/73/46/569567346.db2.gz JKLHNYMZWYYLSX-SFTDATJTSA-N 0 1 434.854 4.540 50 0 IJAAMN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000009670671 132325056 /nfs/dbraw/zinc/32/50/56/132325056.db2.gz IYQQLDOPWVXSMI-UHFFFAOYSA-N 0 1 436.581 4.588 50 0 IJAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000009907994 132331441 /nfs/dbraw/zinc/33/14/41/132331441.db2.gz PYTVXJJIUKNZJC-UHFFFAOYSA-N 0 1 443.547 4.534 50 0 IJAAMN CCCNC(=O)N[C@@H](CC)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1C ZINC000036048517 519886280 /nfs/dbraw/zinc/88/62/80/519886280.db2.gz GSXJDICLAABWAD-WIOPSUGQSA-N 0 1 439.600 4.599 50 0 IJAAMN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(OCC)c(CO)c2)CC1 ZINC000012386066 520462124 /nfs/dbraw/zinc/46/21/24/520462124.db2.gz JBZOWZFXOCEXCO-UHFFFAOYSA-N 0 1 445.987 4.619 50 0 IJAAMN CCCC[C@H](CC)CNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000012859042 521175441 /nfs/dbraw/zinc/17/54/41/521175441.db2.gz HDWMZLOXEHLERX-KIKDMBQDSA-N 0 1 430.633 4.696 50 0 biogenic IJAAMN COc1c2c(cc3c1[C@H]([C@@H]1c4ccccc4-c4ccc(C(C)=O)cc41)N(C)CC3)OCO2 ZINC000012660620 521887521 /nfs/dbraw/zinc/88/75/21/521887521.db2.gz LQTAEKCRFQHJPA-JWQCQUIFSA-N 0 1 427.500 4.968 50 0 biogenic IJAAMN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](COc4cccc(F)c4)C3)c(C)o2)cc1 ZINC000012589463 521928196 /nfs/dbraw/zinc/92/81/96/521928196.db2.gz YZUYPRHMFSTVTH-GOSISDBHSA-N 0 1 438.499 4.867 50 0 IJAAMN COc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)cc1OC ZINC000035504161 523274399 /nfs/dbraw/zinc/27/43/99/523274399.db2.gz WWKLHPDCHCHAID-UHFFFAOYSA-N 0 1 427.258 4.573 50 0 IJAAMN COc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3ccoc3)c2)cc1 ZINC000012212235 523391809 /nfs/dbraw/zinc/39/18/09/523391809.db2.gz BESDVCGJULKTTP-RGFVMQALSA-N 0 1 434.536 4.517 50 0 IJAAMN CC[C@H](C)N(CCNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)Cc1cccs1 ZINC000020580788 523935259 /nfs/dbraw/zinc/93/52/59/523935259.db2.gz JFHCYSKFEBTYRZ-SFHVURJKSA-N 0 1 447.626 4.599 50 0 IJAAMN COc1cccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)N(C)C)c1 ZINC000012768009 524160421 /nfs/dbraw/zinc/16/04/21/524160421.db2.gz XPSBKUPNAUWUAT-QFIPXVFZSA-N 0 1 446.576 4.642 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCCC2)cc1 ZINC000021805290 525185226 /nfs/dbraw/zinc/18/52/26/525185226.db2.gz XQBKYEQGTSMJLO-JOCHJYFZSA-N 0 1 439.943 4.961 50 0 IJAAMN O=c1[nH]c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2cc(Cl)ccc21 ZINC000022038120 526377528 /nfs/dbraw/zinc/37/75/28/526377528.db2.gz VGUIAKIPVQGIFB-UHFFFAOYSA-N 0 1 444.966 4.896 50 0 IJAAMN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000021367942 526747611 /nfs/dbraw/zinc/74/76/11/526747611.db2.gz XXGBNCVPURAWAT-QGZVFWFLSA-N 0 1 429.973 4.893 50 0 IJAAMN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000012544887 527395137 /nfs/dbraw/zinc/39/51/37/527395137.db2.gz LEEWQVNFJXPZTE-UHFFFAOYSA-N 0 1 446.326 4.894 50 0 IJAAMN OC[C@]1(Cc2ccccc2F)CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000012589444 527625696 /nfs/dbraw/zinc/62/56/96/527625696.db2.gz ISMTXRHJKZXTTB-DEOSSOPVSA-N 0 1 425.935 4.753 50 0 IJAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000000860865 555571979 /nfs/dbraw/zinc/57/19/79/555571979.db2.gz JTNXADANTWLGDK-MZLPPYGWSA-N 0 1 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556434588 /nfs/dbraw/zinc/43/45/88/556434588.db2.gz MDZGVPMMNMHRNQ-UHFFFAOYSA-N 0 1 430.700 4.983 50 0 IJAAMN COc1ccc(Nc2nc(CSc3nc(-c4ccc(OC)cc4)n[nH]3)cs2)cc1 ZINC000013017632 556438625 /nfs/dbraw/zinc/43/86/25/556438625.db2.gz NAZDOPVZSAWYPI-UHFFFAOYSA-N 0 1 425.539 4.981 50 0 IJAAMN CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCCCC2)cc1 ZINC000028402775 556453380 /nfs/dbraw/zinc/45/33/80/556453380.db2.gz FTKUAAVQKZOSRG-HSZRJFAPSA-N 0 1 432.564 4.929 50 0 IJAAMN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc2ccccc2c1 ZINC000014994130 556476857 /nfs/dbraw/zinc/47/68/57/556476857.db2.gz NWYGSRYQCJRTHN-URXFXBBRSA-N 0 1 444.604 4.976 50 0 IJAAMN COc1cc(C(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc(OC)c1OC ZINC000032960949 556571470 /nfs/dbraw/zinc/57/14/70/556571470.db2.gz HQJJVDMETJLDLB-UHFFFAOYSA-N 0 1 445.519 4.935 50 0 IJAAMN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000016448577 556608692 /nfs/dbraw/zinc/60/86/92/556608692.db2.gz ZKTJTCMFJKNDNJ-UHFFFAOYSA-N 0 1 449.319 4.513 50 0 IJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2C)cc1 ZINC000135682748 556688008 /nfs/dbraw/zinc/68/80/08/556688008.db2.gz MXDJBYWEIIEIQR-YTFSRNRJSA-N 0 1 448.906 4.708 50 0 IJAAMN O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000013592182 556701141 /nfs/dbraw/zinc/70/11/41/556701141.db2.gz WAAAXVMBZZKAGF-QTZVNIFKSA-N 0 1 443.934 4.643 50 0 IJAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)CC1 ZINC000055344768 556740329 /nfs/dbraw/zinc/74/03/29/556740329.db2.gz BYRWBRLMQWTWFO-DEOSSOPVSA-N 0 1 429.564 4.682 50 0 IJAAMN O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000058309097 556779566 /nfs/dbraw/zinc/77/95/66/556779566.db2.gz VEULWSKCRBCDQW-UHFFFAOYSA-N 0 1 431.561 4.844 50 0 IJAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000019537623 556794425 /nfs/dbraw/zinc/79/44/25/556794425.db2.gz DHXTXXXALLKAHB-UHFFFAOYSA-N 0 1 427.548 4.861 50 0 IJAAMN 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/nfs/dbraw/zinc/07/76/65/557077665.db2.gz MFRSEXZBZXFEHY-UHFFFAOYSA-N 0 1 432.445 4.848 50 0 IJAAMN Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000023685892 557106755 /nfs/dbraw/zinc/10/67/55/557106755.db2.gz CZPFDJHWUYDWMG-UHFFFAOYSA-N 0 1 432.593 4.854 50 0 IJAAMN O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023873134 557122002 /nfs/dbraw/zinc/12/20/02/557122002.db2.gz VRJIARCVQYLUSK-RUZDIDTESA-N 0 1 436.983 4.629 50 0 IJAAMN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000024429192 557146734 /nfs/dbraw/zinc/14/67/34/557146734.db2.gz NUYBKMCVYREEJY-UHFFFAOYSA-N 0 1 434.867 4.688 50 0 IJAAMN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 ZINC000009327990 557186995 /nfs/dbraw/zinc/18/69/95/557186995.db2.gz ZWHWGZVTBCOYEH-UHFFFAOYSA-N 0 1 439.324 4.527 50 0 IJAAMN Cc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)oc2cc(C)cc(C)c12 ZINC000027662253 557268886 /nfs/dbraw/zinc/26/88/86/557268886.db2.gz MKHYGSQYFJXRBS-OAQYLSRUSA-N 0 1 439.987 4.730 50 0 IJAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(F)c(C)c5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828091 557299793 /nfs/dbraw/zinc/29/97/93/557299793.db2.gz OSQQXYKXJWZOJL-UHFFFAOYSA-N 0 1 426.451 4.827 50 0 IJAAMN Cc1nn(-c2ccccc2)c(C)c1[C@H](NS(=O)(=O)c1ccc(C)cc1F)C(F)(F)F ZINC000072307498 557319113 /nfs/dbraw/zinc/31/91/13/557319113.db2.gz MXVCJSGBRFYODE-IBGZPJMESA-N 0 1 441.450 4.519 50 0 IJAAMN CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)n[nH]2)sc1C ZINC000033173895 557327124 /nfs/dbraw/zinc/32/71/24/557327124.db2.gz HJCLFNWAEZHFFG-UHFFFAOYSA-N 0 1 429.489 4.853 50 0 IJAAMN COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000008595065 562953308 /nfs/dbraw/zinc/95/33/08/562953308.db2.gz TWANJSPPZJPKAC-UHFFFAOYSA-N 0 1 437.565 4.912 50 0 aggregator IJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000008686943 562962901 /nfs/dbraw/zinc/96/29/01/562962901.db2.gz IYTDIHBYTAIGOJ-UHFFFAOYSA-N 0 1 431.901 4.793 50 0 IJAAMN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104982528 568622648 /nfs/dbraw/zinc/62/26/48/568622648.db2.gz BEWRGIBQGWZBAK-JWQCQUIFSA-N 0 1 444.575 4.739 50 0 IJAAMN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000104983602 568623937 /nfs/dbraw/zinc/62/39/37/568623937.db2.gz XBINMZJAJIGERJ-DHIUTWEWSA-N 0 1 445.003 4.820 50 0 IJAAMN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COCC(C)C)C2)cc1 ZINC000104983077 568624009 /nfs/dbraw/zinc/62/40/09/568624009.db2.gz DONDXBBHMBSSHU-DNQXCXABSA-N 0 1 445.003 4.677 50 0 IJAAMN CC(C)n1c(CN2CCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000086048544 568635817 /nfs/dbraw/zinc/63/58/17/568635817.db2.gz IKABAVYXHGFJMN-UHFFFAOYSA-N 0 1 426.948 4.884 50 0 IJAAMN COc1cc(OC)c(OC)cc1CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000015581259 568798745 /nfs/dbraw/zinc/79/87/45/568798745.db2.gz RUDVHELEVACMGV-UHFFFAOYSA-N 0 1 447.510 4.994 50 0 IJAAMN O=C(Nc1ccc(Br)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146968 568846245 /nfs/dbraw/zinc/84/62/45/568846245.db2.gz 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GKCSTVIEDQIENA-UHFFFAOYSA-N 0 1 431.521 4.632 50 0 IJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000136255875 556689188 /nfs/dbraw/zinc/68/91/88/556689188.db2.gz ZTJMXKJXJKCFMB-YTFSRNRJSA-N 0 1 448.906 4.708 50 0 IJAAMN Cc1[nH]nc2c1[C@H](c1cccc(Br)c1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013692563 556711951 /nfs/dbraw/zinc/71/19/51/556711951.db2.gz GOVUYAKLWQMLRK-NRFANRHFSA-N 0 1 435.325 4.750 50 0 IJAAMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc2cc(Br)ccc2o1 ZINC000058407169 556786185 /nfs/dbraw/zinc/78/61/85/556786185.db2.gz DAHFIRCIZLRBIS-UHFFFAOYSA-N 0 1 431.305 4.729 50 0 IJAAMN Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4nc5ccc(Cl)cc5[nH]4)C3)c2c1 ZINC000033071529 556852033 /nfs/dbraw/zinc/85/20/33/556852033.db2.gz XEOTYJCGERZGPT-KRWDZBQOSA-N 0 1 435.959 4.581 50 0 IJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)c1 ZINC000033106140 556858646 /nfs/dbraw/zinc/85/86/46/556858646.db2.gz ILPGUKRUDKBGOE-UHFFFAOYSA-N 0 1 426.469 4.792 50 0 IJAAMN COc1ccc(C[N@H+](Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)CC(C)C)cc1 ZINC000033126262 556867093 /nfs/dbraw/zinc/86/70/93/556867093.db2.gz IDSMUKHBTRPRKH-UHFFFAOYSA-N 0 1 430.552 4.665 50 0 IJAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2OC)c1 ZINC000033173514 556883689 /nfs/dbraw/zinc/88/36/89/556883689.db2.gz LGGBYVOPSINHNP-UHFFFAOYSA-N 0 1 426.416 4.732 50 0 IJAAMN Cc1[nH]c2ccccc2c1CCN[C@H](c1nnnn1-c1c(C)cccc1C)c1ccccc1 ZINC000019804746 556918034 /nfs/dbraw/zinc/91/80/34/556918034.db2.gz SMDVWBAYVKXVJY-VWLOTQADSA-N 0 1 436.563 4.991 50 0 IJAAMN COc1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000019807957 556918313 /nfs/dbraw/zinc/91/83/13/556918313.db2.gz BTBCZXLAEONYQQ-UHFFFAOYSA-N 0 1 432.564 4.620 50 0 IJAAMN O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 ZINC000017177992 557030856 /nfs/dbraw/zinc/03/08/56/557030856.db2.gz XKBFIFRYQJLJIB-UHFFFAOYSA-N 0 1 432.954 4.795 50 0 IJAAMN COc1cccc(-n2c3nc(SCCOc4ccccc4)[nH]c(=O)c3sc2=S)c1 ZINC000032948245 557045912 /nfs/dbraw/zinc/04/59/12/557045912.db2.gz JYURCRFXVNBQHE-UHFFFAOYSA-N 0 1 443.575 4.684 50 0 IJAAMN Cc1cc(C)c(NC(=S)N(CCCN2CCN(C)CC2)Cc2cccs2)c(C)c1 ZINC000101215329 557077435 /nfs/dbraw/zinc/07/74/35/557077435.db2.gz CQSIIYODDBKNHG-UHFFFAOYSA-N 0 1 430.687 4.510 50 0 IJAAMN O=c1oc2c(ccc(O)c2Cc2coc3ccc(Cl)cc3c2=O)cc1-c1ccccn1 ZINC000585152525 557112916 /nfs/dbraw/zinc/11/29/16/557112916.db2.gz XVBXDIDGJYFGPY-UHFFFAOYSA-N 0 1 431.831 4.911 50 0 IJAAMN CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101072394 557225194 /nfs/dbraw/zinc/22/51/94/557225194.db2.gz BPDUHMYHHKIDAT-ZRBLBEILSA-N 0 1 432.907 4.954 50 0 IJAAMN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101072394 557225196 /nfs/dbraw/zinc/22/51/96/557225196.db2.gz BPDUHMYHHKIDAT-ZRBLBEILSA-N 0 1 432.907 4.954 50 0 IJAAMN CSc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101195243 557263426 /nfs/dbraw/zinc/26/34/26/557263426.db2.gz JDGAMABBGGXDNF-VSKRKVRLSA-N 0 1 434.492 4.599 50 0 IJAAMN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1OC ZINC000032954379 557267092 /nfs/dbraw/zinc/26/70/92/557267092.db2.gz AQPGKNOQTHRKCR-UHFFFAOYSA-N 0 1 439.324 4.527 50 0 IJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000100712112 557270840 /nfs/dbraw/zinc/27/08/40/557270840.db2.gz ZTJMXKJXJKCFMB-DNVJHFABSA-N 0 1 448.906 4.708 50 0 IJAAMN CC1(C)OC[C@H](CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)O1 ZINC000023447787 557359591 /nfs/dbraw/zinc/35/95/91/557359591.db2.gz SJFDTUUOPBYDAD-FQEVSTJZSA-N 0 1 427.504 4.778 50 0 IJAAMN COc1ccc(CNC(=O)c2ccc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)cc2)cc1 ZINC000023456731 557362752 /nfs/dbraw/zinc/36/27/52/557362752.db2.gz XOAYCCRKESDUCJ-UHFFFAOYSA-N 0 1 439.515 4.790 50 0 IJAAMN Cc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914492 557513770 /nfs/dbraw/zinc/51/37/70/557513770.db2.gz NOWARQDWCBDANF-UHFFFAOYSA-N 0 1 432.864 4.633 50 0 IJAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984459 568623109 /nfs/dbraw/zinc/62/31/09/568623109.db2.gz GJEGMAMBLPROLE-VQTJNVASSA-N 0 1 448.966 4.650 50 0 IJAAMN C[C@H](OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000025499729 568661230 /nfs/dbraw/zinc/66/12/30/568661230.db2.gz QPCJYJXYVSYJBT-HRAATJIYSA-N 0 1 442.909 4.620 50 0 IJAAMN CN(C)Cc1cc(CNC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)ccc1F ZINC000083851181 568783234 /nfs/dbraw/zinc/78/32/34/568783234.db2.gz RKHAFIJZPPAABO-WJOKGBTCSA-N 0 1 439.556 4.517 50 0 IJAAMN O=C(Nc1ccc(F)c(F)c1F)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006146963 568846249 /nfs/dbraw/zinc/84/62/49/568846249.db2.gz KRFGRYHGMLTEDK-UHFFFAOYSA-N 0 1 440.830 4.810 50 0 IJAAMN O=C(Nc1ccccc1Br)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147012 568846288 /nfs/dbraw/zinc/84/62/88/568846288.db2.gz BQWANNMOCIZZAZ-UHFFFAOYSA-N 0 1 449.301 4.641 50 0 IJAAMN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000089548079 568937156 /nfs/dbraw/zinc/93/71/56/568937156.db2.gz DLUOLNUWOQNETR-FDDCHVKYSA-N 0 1 441.934 4.794 50 0 IJAAMN CCN1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000006753875 568974301 /nfs/dbraw/zinc/97/43/01/568974301.db2.gz JLOSUKYNZXAAGL-PKTZIBPZSA-N 0 1 430.976 4.731 50 0 IJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304940 568994767 /nfs/dbraw/zinc/99/47/67/568994767.db2.gz KLLDYWPQWRMQCE-XMMPIXPASA-N 0 1 449.595 4.891 50 0 IJAAMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCCCC[C@@H]1c1ccncc1 ZINC000065107273 569106273 /nfs/dbraw/zinc/10/62/73/569106273.db2.gz HVMYQPJJNNAAJS-QGZVFWFLSA-N 0 1 425.330 4.992 50 0 IJAAMN CCCc1noc(-c2cccnc2N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065257939 569124245 /nfs/dbraw/zinc/12/42/45/569124245.db2.gz IFVXCBQHKDOSAW-UHFFFAOYSA-N 0 1 445.489 4.815 50 0 IJAAMN COc1ccc(Br)cc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222458 569186585 /nfs/dbraw/zinc/18/65/85/569186585.db2.gz DZNRKFJRIXTYPM-FQEVSTJZSA-N 0 1 426.358 4.870 50 0 IJAAMN CCN1CCN(c2ccccc2NC(=O)NCCc2nc(-c3ccccc3)c(C)s2)CC1 ZINC000078954261 569320629 /nfs/dbraw/zinc/32/06/29/569320629.db2.gz AVMORULPGFJJMW-UHFFFAOYSA-N 0 1 449.624 4.625 50 0 IJAAMN COc1ccc(CN2CCC(NC(=O)c3ccc4c(ccn4C(C)C)c3)CC2)cc1OC ZINC000095474079 569372501 /nfs/dbraw/zinc/37/25/01/569372501.db2.gz ARXZSNDUXTUQDG-UHFFFAOYSA-N 0 1 435.568 4.634 50 0 IJAAMN Cc1ccc(CCNC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1 ZINC000020644494 569374826 /nfs/dbraw/zinc/37/48/26/569374826.db2.gz YGYZEEKFPZXFDZ-UHFFFAOYSA-N 0 1 435.593 4.533 50 0 IJAAMN CCOc1ccc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1 ZINC000020643770 569374903 /nfs/dbraw/zinc/37/49/03/569374903.db2.gz VSFUMJLEVWRCSO-UHFFFAOYSA-N 0 1 437.565 4.903 50 0 IJAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096116128 569383600 /nfs/dbraw/zinc/38/36/00/569383600.db2.gz AUJSPHVWNGIRFQ-INIZCTEOSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN CCn1c(-c2cc(NC(=O)c3ccc(Br)o3)[nH]n2)cc2c1cccc2OC ZINC000096400290 569400385 /nfs/dbraw/zinc/40/03/85/569400385.db2.gz ZQJSITUCFUZSAI-UHFFFAOYSA-N 0 1 429.274 4.668 50 0 IJAAMN CC(C)c1nc2oc3c(ncnc3N3CCN(Cc4ccccc4)CC3)c2c2c1CCC2 ZINC000057110825 569429527 /nfs/dbraw/zinc/42/95/27/569429527.db2.gz QPZCFONGMIHBFK-UHFFFAOYSA-N 0 1 427.552 4.705 50 0 IJAAMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)[C@H]3CCc4ccccc43)cc2)cc1 ZINC000029483772 569430585 /nfs/dbraw/zinc/43/05/85/569430585.db2.gz NAHSPEWEZFUTNQ-VWLOTQADSA-N 0 1 443.547 4.895 50 0 IJAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)[nH]n2)c(OC)c1 ZINC000057412885 569433795 /nfs/dbraw/zinc/43/37/95/569433795.db2.gz ASAUJJVIQIHLEL-UHFFFAOYSA-N 0 1 429.476 4.925 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC)ccc1C ZINC000003227779 569442218 /nfs/dbraw/zinc/44/22/18/569442218.db2.gz KVESMBBKSRHENW-UHFFFAOYSA-N 0 1 442.562 4.779 50 0 IJAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000217943401 569455101 /nfs/dbraw/zinc/45/51/01/569455101.db2.gz AYXQXSAJESQDDB-LBPRGKRZSA-N 0 1 433.243 4.757 50 0 biogenic IJAAMN Cc1ccc2nc(SCC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)[nH]c2c1 ZINC000008813080 569476720 /nfs/dbraw/zinc/47/67/20/569476720.db2.gz PUFZXXVQIDBKLD-UHFFFAOYSA-N 0 1 445.570 4.885 50 0 IJAAMN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008868766 569480369 /nfs/dbraw/zinc/48/03/69/569480369.db2.gz YFTDKHSJIQJPRR-UHFFFAOYSA-N 0 1 436.621 4.629 50 0 IJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000008927658 569487294 /nfs/dbraw/zinc/48/72/94/569487294.db2.gz MJQSOSKWWBMWEP-OAQYLSRUSA-N 0 1 433.533 4.774 50 0 IJAAMN COC(=O)c1cc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)ccc1Cl ZINC000040287812 569498301 /nfs/dbraw/zinc/49/83/01/569498301.db2.gz DDJABVMTPJRVEH-LJQANCHMSA-N 0 1 445.306 4.683 50 0 IJAAMN COc1ccc2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)[nH]c2c1 ZINC000009126688 569504988 /nfs/dbraw/zinc/50/49/88/569504988.db2.gz DFSABOQAEMNXHR-KRWDZBQOSA-N 0 1 438.534 4.696 50 0 IJAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000009243671 569514927 /nfs/dbraw/zinc/51/49/27/569514927.db2.gz YMMMPTHVNMKWSW-HSZRJFAPSA-N 0 1 437.565 4.865 50 0 IJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1CCCO ZINC000009409194 569530883 /nfs/dbraw/zinc/53/08/83/569530883.db2.gz ATZKNJQPPLSNBB-VWLOTQADSA-N 0 1 441.487 4.502 50 0 IJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 ZINC000009409248 569531036 /nfs/dbraw/zinc/53/10/36/569531036.db2.gz WSYQOUPVROTGPA-FQEVSTJZSA-N 0 1 426.314 4.890 50 0 IJAAMN CN(C)S(=O)(=O)c1cccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 ZINC000009580887 569548904 /nfs/dbraw/zinc/54/89/04/569548904.db2.gz CPCWSQZZSPIARS-UHFFFAOYSA-N 0 1 443.532 4.537 50 0 IJAAMN COc1ccc(NC(=O)CCc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000009586161 569549607 /nfs/dbraw/zinc/54/96/07/569549607.db2.gz LKFZJQKXKLSCNZ-UHFFFAOYSA-N 0 1 444.940 4.721 50 0 IJAAMN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009674100 569559043 /nfs/dbraw/zinc/55/90/43/569559043.db2.gz MOPSCTQKJFJFIF-SFHVURJKSA-N 0 1 445.947 4.924 50 0 IJAAMN COCCCNC(=O)CSc1[nH]c(-c2ccc(SC)cc2)nc1-c1ccccc1 ZINC000009674157 569559107 /nfs/dbraw/zinc/55/91/07/569559107.db2.gz MPPZNCWPSHELKW-UHFFFAOYSA-N 0 1 427.595 4.710 50 0 IJAAMN Cc1cc(-c2csc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)n2)c(C)s1 ZINC000009804256 569568722 /nfs/dbraw/zinc/56/87/22/569568722.db2.gz JDLYPZYHOLHQKW-UHFFFAOYSA-N 0 1 442.591 4.890 50 0 IJAAMN COc1ccc([C@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCCC2)cc1 ZINC000009951578 569574490 /nfs/dbraw/zinc/57/44/90/569574490.db2.gz AYPYPEZQCBGGFX-IBGZPJMESA-N 0 1 427.595 4.756 50 0 IJAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)n2)cc1 ZINC000010076541 569577626 /nfs/dbraw/zinc/57/76/26/569577626.db2.gz PUCBTRXTJZKJDN-UHFFFAOYSA-N 0 1 437.550 4.643 50 0 IJAAMN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000010422268 569581981 /nfs/dbraw/zinc/58/19/81/569581981.db2.gz XJEBPJTZYVJVEW-UHFFFAOYSA-N 0 1 432.915 4.967 50 0 IJAAMN CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000017719835 569587052 /nfs/dbraw/zinc/58/70/52/569587052.db2.gz JVAJARJQHPEVSF-UHFFFAOYSA-N 0 1 429.469 4.786 50 0 IJAAMN CCOC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 ZINC000044126938 569588085 /nfs/dbraw/zinc/58/80/85/569588085.db2.gz RVGPWBNAYPILDY-INIZCTEOSA-N 0 1 436.689 4.566 50 0 IJAAMN CCOC(=O)C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 ZINC000044126938 569588086 /nfs/dbraw/zinc/58/80/86/569588086.db2.gz RVGPWBNAYPILDY-INIZCTEOSA-N 0 1 436.689 4.566 50 0 IJAAMN CCCCSc1nc2sc3c(c2c(N2CCN(CC)CC2)n1)C[C@](C)(CC)OC3 ZINC000009184835 132307704 /nfs/dbraw/zinc/30/77/04/132307704.db2.gz XCBPVZHKNDBWAD-QFIPXVFZSA-N 0 1 434.675 4.967 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009549018 132321239 /nfs/dbraw/zinc/32/12/39/132321239.db2.gz PCPHPGSUUZUXRF-HXUWFJFHSA-N 0 1 428.517 4.731 50 0 IJAAMN CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n[nH]1 ZINC000012316651 519430646 /nfs/dbraw/zinc/43/06/46/519430646.db2.gz SFGSRGSDKRIBAY-UHFFFAOYSA-N 0 1 448.615 4.603 50 0 IJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 ZINC000012468524 519762239 /nfs/dbraw/zinc/76/22/39/519762239.db2.gz SFCHZMLCEOMTIH-JOCHJYFZSA-N 0 1 425.916 4.796 50 0 IJAAMN CCCNC(=O)N[C@@H](CC)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1C ZINC000036048515 519886069 /nfs/dbraw/zinc/88/60/69/519886069.db2.gz GSXJDICLAABWAD-DHLKQENFSA-N 0 1 439.600 4.599 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(C)cc1)=N2 ZINC000035372570 521585636 /nfs/dbraw/zinc/58/56/36/521585636.db2.gz WGILVDRUUSIHEU-UHFFFAOYSA-N 0 1 448.636 4.997 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(F)cc1)=N2 ZINC000035372551 521585790 /nfs/dbraw/zinc/58/57/90/521585790.db2.gz QUMJJRMFTZZCMZ-UHFFFAOYSA-N 0 1 438.572 4.519 50 0 IJAAMN COc1cc(-c2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc2c1OCO2 ZINC000020515816 521904203 /nfs/dbraw/zinc/90/42/03/521904203.db2.gz RQHPJOUGGLDOHI-INIZCTEOSA-N 0 1 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569079670 /nfs/dbraw/zinc/07/96/70/569079670.db2.gz XGWXBHYZWPRYIS-NRFANRHFSA-N 0 1 441.547 4.720 50 0 IJAAMN COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036343452 569080470 /nfs/dbraw/zinc/08/04/70/569080470.db2.gz FRMOZDFEGHFFQN-RUZDIDTESA-N 0 1 449.595 4.730 50 0 IJAAMN CC(=O)Nc1cccc([C@H](C)OC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC000170619567 569147636 /nfs/dbraw/zinc/14/76/36/569147636.db2.gz QCRINRPYCNDIIK-RVHYNSKXSA-N 0 1 434.458 4.560 50 0 IJAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000253383320 569264201 /nfs/dbraw/zinc/26/42/01/569264201.db2.gz LEHDGEHPOHUFBQ-AQWTWLKTSA-N 0 1 448.522 4.639 50 0 IJAAMN O=C(N=c1sccn1Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2c1O ZINC000253497195 569283306 /nfs/dbraw/zinc/28/33/06/569283306.db2.gz SXILBLJACUYLNX-UHFFFAOYSA-N 0 1 430.316 4.900 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1cccs1 ZINC000020133874 569335549 /nfs/dbraw/zinc/33/55/49/569335549.db2.gz VYAPFFUROLBKOA-QGZVFWFLSA-N 0 1 430.530 4.623 50 0 IJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)Nc4ccc(C)cc4)c3=O)c2c1 ZINC000020331330 569360986 /nfs/dbraw/zinc/36/09/86/569360986.db2.gz RNZMNXVDZHFLCX-UHFFFAOYSA-N 0 1 436.537 4.666 50 0 IJAAMN Cc1ncc(CNCc2cccnc2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095476932 569373183 /nfs/dbraw/zinc/37/31/83/569373183.db2.gz WFZQYIWPNZJWOD-UHFFFAOYSA-N 0 1 436.309 4.815 50 0 IJAAMN COCCCN1Cc2cccc(NS(=O)(=O)c3csc4ccc(Cl)cc34)c2C1 ZINC000096013482 569380273 /nfs/dbraw/zinc/38/02/73/569380273.db2.gz XUMJHTXOORFKIF-UHFFFAOYSA-N 0 1 436.986 4.708 50 0 IJAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c(OC)c1 ZINC000096116272 569383633 /nfs/dbraw/zinc/38/36/33/569383633.db2.gz SOUGXGGJQINUAS-KRWDZBQOSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Br)cc1Cl ZINC000002643516 569413890 /nfs/dbraw/zinc/41/38/90/569413890.db2.gz XSXAAGLZFVPTHS-UHFFFAOYSA-N 0 1 429.767 4.894 50 0 IJAAMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000057418737 569434284 /nfs/dbraw/zinc/43/42/84/569434284.db2.gz QHDVNQDSDJTFIK-AREMUKBSSA-N 0 1 429.564 4.795 50 0 IJAAMN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000057477018 569435808 /nfs/dbraw/zinc/43/58/08/569435808.db2.gz ADUQLJCOCNEPJL-UHFFFAOYSA-N 0 1 426.192 4.990 50 0 IJAAMN CC(C)c1ccc(NC(=O)CSc2nc(=O)c3sc(N4CCCCC4)nc3[nH]2)cc1 ZINC000066398863 569462120 /nfs/dbraw/zinc/46/21/20/569462120.db2.gz HOCLEADLCBZORV-UHFFFAOYSA-N 0 1 443.598 4.636 50 0 IJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1 ZINC000008845297 569478775 /nfs/dbraw/zinc/47/87/75/569478775.db2.gz PENJESNWZMGDDB-VWLOTQADSA-N 0 1 449.551 4.933 50 0 IJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 ZINC000008961319 569490955 /nfs/dbraw/zinc/49/09/55/569490955.db2.gz YISAXNCZIANLNS-UHFFFAOYSA-N 0 1 438.505 4.861 50 0 IJAAMN CCCn1nc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c2ccccc2c1=O ZINC000040150672 569493195 /nfs/dbraw/zinc/49/31/95/569493195.db2.gz NISSHHZJOGEMBR-UHFFFAOYSA-N 0 1 441.466 4.741 50 0 IJAAMN O=C(Nc1ccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1)NC1CC1 ZINC000040156106 569494004 /nfs/dbraw/zinc/49/40/04/569494004.db2.gz QCAXYWVRVFORJG-UHFFFAOYSA-N 0 1 429.455 4.905 50 0 IJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2Cc2ccco2)cc1OC ZINC000040337563 569499496 /nfs/dbraw/zinc/49/94/96/569499496.db2.gz ICKKCSVHPKFOBD-DEOSSOPVSA-N 0 1 429.476 4.822 50 0 IJAAMN COc1ccc2nc(SCC(=O)N3N=C(c4ccc(C)o4)C[C@H]3c3ccco3)[nH]c2c1 ZINC000009222903 569512856 /nfs/dbraw/zinc/51/28/56/569512856.db2.gz BBZBOUWYXUHEEY-SFHVURJKSA-N 0 1 436.493 4.536 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)Nc2ccc(C)cc2)c1 ZINC000009282871 569518737 /nfs/dbraw/zinc/51/87/37/569518737.db2.gz VQIWYWPLDFOUKJ-UHFFFAOYSA-N 0 1 425.510 4.757 50 0 IJAAMN CCCSc1ccc2nc(NC(=O)CSc3nc(SCC)ns3)[nH]c2c1 ZINC000009290304 569519745 /nfs/dbraw/zinc/51/97/45/569519745.db2.gz WCZIFUZGDDZCGC-UHFFFAOYSA-N 0 1 425.630 4.759 50 0 IJAAMN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(C(C)C)cc1)N(CCN(C)C)C3=O ZINC000009328216 569522834 /nfs/dbraw/zinc/52/28/34/569522834.db2.gz VVFQUJHOPVYINM-JOCHJYFZSA-N 0 1 438.955 4.985 50 0 IJAAMN COc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3)o2)N2CCCCC2)cc1 ZINC000009467497 569538461 /nfs/dbraw/zinc/53/84/61/569538461.db2.gz XSDBSSIKKIQRIY-DEOSSOPVSA-N 0 1 434.536 4.824 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc(Cl)cc1F ZINC000009491778 569540448 /nfs/dbraw/zinc/54/04/48/569540448.db2.gz KJCASKATFLDKMD-UHFFFAOYSA-N 0 1 441.713 4.758 50 0 IJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC3CCCCC3)ccc2OC)cc1 ZINC000009492460 569540556 /nfs/dbraw/zinc/54/05/56/569540556.db2.gz DUFHIXBKQODKFE-UHFFFAOYSA-N 0 1 446.569 4.804 50 0 IJAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)c3nc4ccccc4s3)nc21 ZINC000009603946 569551883 /nfs/dbraw/zinc/55/18/83/569551883.db2.gz FGPZICOAMSBYSZ-UHFFFAOYSA-N 0 1 426.567 4.513 50 0 IJAAMN CCOc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000009674166 569559199 /nfs/dbraw/zinc/55/91/99/569559199.db2.gz UWIWOOCRQBNCIC-UHFFFAOYSA-N 0 1 443.544 4.526 50 0 IJAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1C1CC1 ZINC000009727424 569564030 /nfs/dbraw/zinc/56/40/30/569564030.db2.gz NHPNFZTUAQVHAY-UHFFFAOYSA-N 0 1 431.359 4.962 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009549019 132321336 /nfs/dbraw/zinc/32/13/36/132321336.db2.gz PCPHPGSUUZUXRF-FQEVSTJZSA-N 0 1 428.517 4.731 50 0 IJAAMN CC(C)CCC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000012806448 519643879 /nfs/dbraw/zinc/64/38/79/519643879.db2.gz KTLXTQXTACJGHZ-CYBMUJFWSA-N 0 1 425.396 4.657 50 0 IJAAMN CCCCN(C)C(=O)c1nc2ccccn2c1CNCc1c(OC)ccc2ccccc21 ZINC000012434059 520396143 /nfs/dbraw/zinc/39/61/43/520396143.db2.gz NZXQPSBKQHCYBL-UHFFFAOYSA-N 0 1 430.552 4.658 50 0 IJAAMN CC[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)c1ccc(OC)cc1 ZINC000012558039 522673452 /nfs/dbraw/zinc/67/34/52/522673452.db2.gz GRHDUUINJHRIIC-HXUWFJFHSA-N 0 1 439.581 4.896 50 0 IJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)n2)cc1 ZINC000013114226 523862537 /nfs/dbraw/zinc/86/25/37/523862537.db2.gz XPDHYKWUTYSNKR-UHFFFAOYSA-N 0 1 432.553 4.567 50 0 IJAAMN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1Cl ZINC000012441285 524482125 /nfs/dbraw/zinc/48/21/25/524482125.db2.gz VNLYRELLRHJHRZ-HNNXBMFYSA-N 0 1 439.387 4.675 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000012557245 524643824 /nfs/dbraw/zinc/64/38/24/524643824.db2.gz SKAHOPZTIPMRML-UHFFFAOYSA-N 0 1 439.537 4.502 50 0 IJAAMN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CC(C)C)C2CC2)cc1OC ZINC000012898446 525241012 /nfs/dbraw/zinc/24/10/12/525241012.db2.gz GVJJLQNWCSJDOX-FQEVSTJZSA-N 0 1 441.597 4.563 50 0 IJAAMN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]2CCCN21 ZINC000035165657 525594000 /nfs/dbraw/zinc/59/40/00/525594000.db2.gz PGYPRCDEEGWUJY-KALPRAJFSA-N 0 1 438.527 4.604 50 0 IJAAMN COc1cccc(-c2nc(CN(CCO)CC34CC5CC(CC(C5)C3)C4)c(C)o2)c1OC ZINC000012589682 525722326 /nfs/dbraw/zinc/72/23/26/525722326.db2.gz AEGCZNLXYIITKI-UHFFFAOYSA-N 0 1 440.584 4.678 50 0 IJAAMN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)o2)cc1C ZINC000021403873 525771380 /nfs/dbraw/zinc/77/13/80/525771380.db2.gz VJAUGCOVMFRBSE-UHFFFAOYSA-N 0 1 432.568 4.590 50 0 IJAAMN COc1cccc(N2C(=O)NC(=O)[C@@](CCc3ccccn3)(Cc3ccccc3F)C2=O)c1 ZINC000022525205 526140204 /nfs/dbraw/zinc/14/02/04/526140204.db2.gz AIKLOIHBMRGLJZ-RUZDIDTESA-N 0 1 447.466 4.514 50 0 IJAAMN O=C(c1ccc(Cl)cc1OC1CCN(Cc2cccc(O)c2)CC1)N1CCCCC1 ZINC000012709865 526680583 /nfs/dbraw/zinc/68/05/83/526680583.db2.gz LFYWHINSNYQFSS-UHFFFAOYSA-N 0 1 428.960 4.715 50 0 IJAAMN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 ZINC000012180340 526792698 /nfs/dbraw/zinc/79/26/98/526792698.db2.gz SYYGMLSDRNGILN-UHFFFAOYSA-N 0 1 426.925 4.734 50 0 IJAAMN O=C(c1ccccc1OC1CCN(Cc2cnn(-c3ccccc3)c2)CC1)N1CCCCC1 ZINC000012456504 526810595 /nfs/dbraw/zinc/81/05/95/526810595.db2.gz OTTOHNGBJICWCI-UHFFFAOYSA-N 0 1 444.579 4.542 50 0 IJAAMN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1Cl ZINC000020554789 527252064 /nfs/dbraw/zinc/25/20/64/527252064.db2.gz MXWXSZIIVMAZOA-UHFFFAOYSA-N 0 1 428.945 4.588 50 0 IJAAMN O=C(NC1CCCC1)c1ccc(OC2CCN(Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000012575127 527511581 /nfs/dbraw/zinc/51/15/81/527511581.db2.gz XXGRLOJSKZHQDU-UHFFFAOYSA-N 0 1 428.960 4.761 50 0 IJAAMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000012530687 527541127 /nfs/dbraw/zinc/54/11/27/527541127.db2.gz ZSVPHYHGOFSCQM-UHFFFAOYSA-N 0 1 445.592 4.520 50 0 IJAAMN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(Cc4ccco4)CC3)c12 ZINC000035924666 527554904 /nfs/dbraw/zinc/55/49/04/527554904.db2.gz BGWGUHLQAQOEJU-UHFFFAOYSA-N 0 1 444.583 4.628 50 0 IJAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 ZINC000000952709 555589803 /nfs/dbraw/zinc/58/98/03/555589803.db2.gz MXRAXXXYFYHXGQ-UHFFFAOYSA-N 0 1 447.597 4.917 50 0 IJAAMN Cc1cccc(CNC(=O)c2ccc(CN3CCN(c4cccc(C)c4C)CC3)cc2)c1 ZINC000034684875 555820502 /nfs/dbraw/zinc/82/05/02/555820502.db2.gz OEAZSSJPQYPTDU-UHFFFAOYSA-N 0 1 427.592 4.864 50 0 IJAAMN CC(=O)C1(c2ccccc2)CCN(Cc2cccc(C(=O)NCc3ccc(F)cc3)c2)CC1 ZINC000034684973 555820573 /nfs/dbraw/zinc/82/05/73/555820573.db2.gz UUAJPIJTEDATSE-UHFFFAOYSA-N 0 1 444.550 4.879 50 0 IJAAMN COc1ccc(-c2[nH]nc(C3CCOCC3)c2NC(=O)c2cc(F)cc(F)c2)cc1OC ZINC000034794010 555917160 /nfs/dbraw/zinc/91/71/60/555917160.db2.gz UMPBJPFBAIKRSU-UHFFFAOYSA-N 0 1 443.450 4.518 50 0 IJAAMN CC1=NC(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCCOc1ccccc1 ZINC000006237728 556081642 /nfs/dbraw/zinc/08/16/42/556081642.db2.gz TUXITTJAXFHJRU-DEOSSOPVSA-N 0 1 444.487 4.729 50 0 IJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008595782 556190489 /nfs/dbraw/zinc/19/04/89/556190489.db2.gz VGHIMCGNYSTFGE-JOCHJYFZSA-N 0 1 431.423 4.735 50 0 IJAAMN CCOc1cc(CNCc2ccccc2Cl)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717713 556288289 /nfs/dbraw/zinc/28/82/89/556288289.db2.gz IAQNAXMULZRJMU-UHFFFAOYSA-N 0 1 435.915 4.797 50 0 IJAAMN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc3cccc(F)c3n2)CC1 ZINC000011667228 556346157 /nfs/dbraw/zinc/34/61/57/556346157.db2.gz YOFUQUXGAANSBE-UHFFFAOYSA-N 0 1 443.526 4.589 50 0 IJAAMN O=C(CCc1ccccc1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011842958 556366220 /nfs/dbraw/zinc/36/62/20/556366220.db2.gz OVFHYDSDPXEXLW-VWLOTQADSA-N 0 1 438.587 4.678 50 0 IJAAMN COc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cc1O ZINC000011956375 556381095 /nfs/dbraw/zinc/38/10/95/556381095.db2.gz CWCSLTBHBFABBP-NRFANRHFSA-N 0 1 430.548 4.710 50 0 IJAAMN CCc1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)cn1 ZINC000012029473 556388423 /nfs/dbraw/zinc/38/84/23/556388423.db2.gz DBEMELUKTVAFGC-UHFFFAOYSA-N 0 1 430.552 4.565 50 0 IJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3ccco3)c3ccc(C)cc3)n2)cc1 ZINC000012080333 556398510 /nfs/dbraw/zinc/39/85/10/556398510.db2.gz OBDZDGJHXPRWBU-OAQYLSRUSA-N 0 1 448.548 4.922 50 0 IJAAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(Cc2ccccc2)C3=O)cc1 ZINC000032594200 556407687 /nfs/dbraw/zinc/40/76/87/556407687.db2.gz VFFHDBQZOGNIOO-VWLOTQADSA-N 0 1 441.487 4.545 50 0 IJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3O)c2[C@H]1c1ccccc1F ZINC000027991753 556440097 /nfs/dbraw/zinc/44/00/97/556440097.db2.gz QDBAOYDKHNJIEY-JOCHJYFZSA-N 0 1 443.906 4.935 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000013127245 556476032 /nfs/dbraw/zinc/47/60/32/556476032.db2.gz UVGUNJQACHZFRX-UHFFFAOYSA-N 0 1 447.495 4.594 50 0 IJAAMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCC(=O)NC1CCCCC1)CC2 ZINC000072305739 556556080 /nfs/dbraw/zinc/55/60/80/556556080.db2.gz SMKFBDXXQWWICK-DEOSSOPVSA-N 0 1 428.598 4.552 50 0 IJAAMN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036344211 556597075 /nfs/dbraw/zinc/59/70/75/556597075.db2.gz WESZQCOVYXAMTJ-RUZDIDTESA-N 0 1 449.595 4.730 50 0 IJAAMN COc1ccc(Cl)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000016447684 556608024 /nfs/dbraw/zinc/60/80/24/556608024.db2.gz LQCRPUZWAASBLA-UHFFFAOYSA-N 0 1 430.913 4.710 50 0 IJAAMN COc1c2c(cc3c1[C@@H]([C@H]1c4ccccc4-c4ccc(C(C)=O)cc41)N(C)CC3)OCO2 ZINC000033697574 556622278 /nfs/dbraw/zinc/62/22/78/556622278.db2.gz LQTAEKCRFQHJPA-DQEYMECFSA-N 0 1 427.500 4.968 50 0 biogenic IJAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)n[nH]1 ZINC000072331266 556730215 /nfs/dbraw/zinc/73/02/15/556730215.db2.gz FQSYNJJVVCNKKM-UHFFFAOYSA-N 0 1 438.959 4.871 50 0 IJAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000058198258 556770768 /nfs/dbraw/zinc/77/07/68/556770768.db2.gz XQTZQOKVJXKRHT-GOSISDBHSA-N 0 1 438.519 4.888 50 0 IJAAMN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071311 556852073 /nfs/dbraw/zinc/85/20/73/556852073.db2.gz MIVCVSMKHOFAMI-MRXNPFEDSA-N 0 1 431.378 4.549 50 0 IJAAMN COc1cc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc(OC)c1 ZINC000033173729 556883550 /nfs/dbraw/zinc/88/35/50/556883550.db2.gz KRADKFKJJJQTFL-UHFFFAOYSA-N 0 1 448.444 4.548 50 0 IJAAMN CSc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 ZINC000033173854 556883860 /nfs/dbraw/zinc/88/38/60/556883860.db2.gz VXFNQDXWHQFAOC-UHFFFAOYSA-N 0 1 433.502 4.988 50 0 IJAAMN CSc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)c1 ZINC000033173854 556883866 /nfs/dbraw/zinc/88/38/66/556883866.db2.gz VXFNQDXWHQFAOC-UHFFFAOYSA-N 0 1 433.502 4.988 50 0 IJAAMN Cc1nn(-c2ccc(Br)cc2)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046057052 557028683 /nfs/dbraw/zinc/02/86/83/557028683.db2.gz ZPNGFZISCWZSNU-GOSISDBHSA-N 0 1 438.325 4.869 50 0 IJAAMN Cc1ccccc1-c1n[nH]c(SCc2noc(CCC(=O)Nc3c(C)cccc3C)n2)n1 ZINC000033270936 557048044 /nfs/dbraw/zinc/04/80/44/557048044.db2.gz AQCFTJFZFOZMHY-UHFFFAOYSA-N 0 1 448.552 4.644 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)n2)cc1 ZINC000033270920 557048053 /nfs/dbraw/zinc/04/80/53/557048053.db2.gz PDTURFGGAKYCME-UHFFFAOYSA-N 0 1 448.552 4.644 50 0 IJAAMN CCC[N@@H+]1CCc2nc(SCc3nc(-c4cccc(Cl)c4)oc3C)[n-]c(=O)c2C1 ZINC000033287193 557064451 /nfs/dbraw/zinc/06/44/51/557064451.db2.gz LYRSWYUKKSYGHG-UHFFFAOYSA-N 0 1 430.961 4.859 50 0 IJAAMN CCC[N@H+]1CCc2nc(SCc3nc(-c4cccc(Cl)c4)oc3C)[n-]c(=O)c2C1 ZINC000033287193 557064456 /nfs/dbraw/zinc/06/44/56/557064456.db2.gz LYRSWYUKKSYGHG-UHFFFAOYSA-N 0 1 430.961 4.859 50 0 IJAAMN CCOc1ccc([C@@H](C)NCC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OCC ZINC000049597294 557114836 /nfs/dbraw/zinc/11/48/36/557114836.db2.gz IMMDWGAESVHOBU-HXUWFJFHSA-N 0 1 436.552 4.957 50 0 IJAAMN Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cn1 ZINC000025458331 557210785 /nfs/dbraw/zinc/21/07/85/557210785.db2.gz WHFATDXWSQDYNX-UHFFFAOYSA-N 0 1 436.320 4.750 50 0 IJAAMN CCc1cccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)c1 ZINC000101828745 557300203 /nfs/dbraw/zinc/30/02/03/557300203.db2.gz ZJBMBCBCXAIHFO-UHFFFAOYSA-N 0 1 426.451 4.772 50 0 IJAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102712501 557373941 /nfs/dbraw/zinc/37/39/41/557373941.db2.gz DOMCVTQHEFCIBE-YPAWHYETSA-N 0 1 436.870 4.839 50 0 IJAAMN C[C@@H]1CCC[C@@H](NC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)[C@H]1C ZINC000104173423 557452182 /nfs/dbraw/zinc/45/21/82/557452182.db2.gz YSZCNTBANITDNB-WIVQHQACSA-N 0 1 427.614 4.806 50 0 IJAAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cc(Cl)ccc1OC ZINC000242263366 557847567 /nfs/dbraw/zinc/84/75/67/557847567.db2.gz XYJZNXCCQAKFIX-GOSISDBHSA-N 0 1 442.947 4.593 50 0 IJAAMN COc1ccc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)nn1 ZINC000008610140 562958083 /nfs/dbraw/zinc/95/80/83/562958083.db2.gz BCWBYOVVJQLFRR-UHFFFAOYSA-N 0 1 443.834 4.625 50 0 IJAAMN CCn1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012438698 562982122 /nfs/dbraw/zinc/98/21/22/562982122.db2.gz BCYNSARSDGREIL-QFIPXVFZSA-N 0 1 427.552 4.902 50 0 IJAAMN CCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C ZINC000012710181 562983009 /nfs/dbraw/zinc/98/30/09/562983009.db2.gz SBVQXZHRSCUUHE-UHFFFAOYSA-N 0 1 432.568 4.738 50 0 IJAAMN O=C(c1cccc(-c2ccco2)c1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055281113 563142400 /nfs/dbraw/zinc/14/24/00/563142400.db2.gz PWMKISURJSQCLO-DEOSSOPVSA-N 0 1 433.527 4.513 50 0 IJAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984292 568623134 /nfs/dbraw/zinc/62/31/34/568623134.db2.gz ZQPNSDIWSVRPED-FCHUYYIVSA-N 0 1 430.976 4.511 50 0 IJAAMN Cc1nn(-c2nc3nc4ccc(Br)cc4c-3n[nH]2)c(C)c1Cc1ccccc1 ZINC000000975803 568648053 /nfs/dbraw/zinc/64/80/53/568648053.db2.gz NJBIOEQXUVTFAA-UHFFFAOYSA-N 0 1 433.313 4.662 50 0 IJAAMN COc1ccc(Cn2cnc3c2cc(C)c(C)c3NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001391889 568785083 /nfs/dbraw/zinc/78/50/83/568785083.db2.gz CWFFLBOGHRZSLD-UHFFFAOYSA-N 0 1 439.512 4.650 50 0 IJAAMN CCOc1ccccc1NS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000015733758 568815995 /nfs/dbraw/zinc/81/59/95/568815995.db2.gz YXZRSPCNPKWGAP-UHFFFAOYSA-N 0 1 426.538 4.831 50 0 IJAAMN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCCC[C@@H]2C)c1 ZINC000036341687 569078990 /nfs/dbraw/zinc/07/89/90/569078990.db2.gz FIIAQODDCVBTTN-CPJSRVTESA-N 0 1 449.595 4.873 50 0 IJAAMN COc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341146 569079200 /nfs/dbraw/zinc/07/92/00/569079200.db2.gz VBUQYVPQXLFGCD-QHCPKHFHSA-N 0 1 425.960 4.758 50 0 IJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345956 569080859 /nfs/dbraw/zinc/08/08/59/569080859.db2.gz XBRXBRSPQHOFMA-DEOSSOPVSA-N 0 1 449.595 4.891 50 0 IJAAMN Nc1c(Cl)cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000065497734 569138778 /nfs/dbraw/zinc/13/87/78/569138778.db2.gz ZQWNTTAAOLRDDB-GOSISDBHSA-N 0 1 432.273 4.969 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000253396165 569264691 /nfs/dbraw/zinc/26/46/91/569264691.db2.gz AVKNTZRIJBHQFS-INIZCTEOSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN COc1ccc([C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471207 569282528 /nfs/dbraw/zinc/28/25/28/569282528.db2.gz NUCPLOKRQYXCAE-GOSISDBHSA-N 0 1 447.409 4.842 50 0 IJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N[C@@H]3CCCc4ccccc43)cc12 ZINC000020153843 569353580 /nfs/dbraw/zinc/35/35/80/569353580.db2.gz COBPBBXTCRJJIB-HSZRJFAPSA-N 0 1 445.636 4.659 50 0 IJAAMN COc1cccc(-c2nc(C)c(C(=O)O[C@@H](CCc3ccccc3)c3nccn3C)[nH]2)c1 ZINC000095450782 569367755 /nfs/dbraw/zinc/36/77/55/569367755.db2.gz XBFCEFOGJIJEJF-NRFANRHFSA-N 0 1 430.508 4.658 50 0 IJAAMN CC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1Br ZINC000095466407 569370906 /nfs/dbraw/zinc/37/09/06/569370906.db2.gz IHZFBHAHQMDSQQ-UHFFFAOYSA-N 0 1 447.310 4.640 50 0 IJAAMN COc1cccc(Cn2cnc3c2cc(C)c(C)c3NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000003133403 569440761 /nfs/dbraw/zinc/44/07/61/569440761.db2.gz SWDNSBFZWCOTCZ-UHFFFAOYSA-N 0 1 435.549 4.819 50 0 IJAAMN CCOC(=O)C1C(CSc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815830 569476760 /nfs/dbraw/zinc/47/67/60/569476760.db2.gz KWXVECJCHYYHBA-FQEVSTJZSA-N 0 1 430.957 4.920 50 0 IJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CC)cc1OCC ZINC000008845838 569478908 /nfs/dbraw/zinc/47/89/08/569478908.db2.gz DVUBLGCIIGPZEY-DEOSSOPVSA-N 0 1 435.524 4.925 50 0 IJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008928037 569487345 /nfs/dbraw/zinc/48/73/45/569487345.db2.gz DOFXCIBTYRSKNS-HYGBKTPJSA-N 0 1 449.532 4.767 50 0 IJAAMN O=S(=O)(Nc1ccc(Oc2ncccn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000040152637 569493521 /nfs/dbraw/zinc/49/35/21/569493521.db2.gz RBQJVBFMTMTZHH-UHFFFAOYSA-N 0 1 429.807 4.742 50 0 IJAAMN COc1ccc(C2=NN(C(=O)CSc3nc4ccc(C)cc4[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009202880 569511208 /nfs/dbraw/zinc/51/12/08/569511208.db2.gz OWOPMVMKWOMBHT-OAQYLSRUSA-N 0 1 446.532 4.943 50 0 IJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000009409064 569530787 /nfs/dbraw/zinc/53/07/87/569530787.db2.gz YWGJJLILRPLHJB-DEOSSOPVSA-N 0 1 435.524 4.543 50 0 IJAAMN CCCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1 ZINC000009409050 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435.534 4.596 50 0 IJAAMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000009665776 569557588 /nfs/dbraw/zinc/55/75/88/569557588.db2.gz BKYUUBGZSPZTDO-UHFFFAOYSA-N 0 1 443.532 4.763 50 0 IJAAMN COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NCc2ccco2)cc1 ZINC000009674131 569559119 /nfs/dbraw/zinc/55/91/19/569559119.db2.gz JFCWVLOYQOTILG-UHFFFAOYSA-N 0 1 437.496 4.893 50 0 IJAAMN Cn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000009942335 569574016 /nfs/dbraw/zinc/57/40/16/569574016.db2.gz OELWXTUXGUFBDT-UHFFFAOYSA-N 0 1 426.948 4.620 50 0 IJAAMN COc1ccc2nc(SCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)[nH]c2c1 ZINC000009951725 569574530 /nfs/dbraw/zinc/57/45/30/569574530.db2.gz UDRJRMCEIHKEDT-HXUWFJFHSA-N 0 1 427.526 4.770 50 0 IJAAMN CN(C)CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCO3 ZINC000010065937 569577597 /nfs/dbraw/zinc/57/75/97/569577597.db2.gz KCWPIDOAJKWZKK-UHFFFAOYSA-N 0 1 438.336 4.540 50 0 IJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177415 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Cc1cccc(-c2n[nH]c(SCc3cc(=O)n4nc(C5CCCCC5)sc4n3)n2)c1 ZINC000015731924 568815112 /nfs/dbraw/zinc/81/51/12/568815112.db2.gz FEOHJWVNTWFSTE-UHFFFAOYSA-N 0 1 438.582 4.585 50 0 IJAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984496 568838659 /nfs/dbraw/zinc/83/86/59/568838659.db2.gz WFKSSNIQALQFLW-FCHUYYIVSA-N 0 1 448.966 4.650 50 0 IJAAMN CC(C)COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982989 568838727 /nfs/dbraw/zinc/83/87/27/568838727.db2.gz RCQYMXALWDNTNU-NHCUHLMSSA-N 0 1 448.966 4.508 50 0 IJAAMN COc1cccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098554 568952036 /nfs/dbraw/zinc/95/20/36/568952036.db2.gz RXYWHQIUSJILOY-QFIPXVFZSA-N 0 1 429.919 4.930 50 0 IJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC ZINC000036346395 569081038 /nfs/dbraw/zinc/08/10/38/569081038.db2.gz HWKBFEXTRVCECD-JOCHJYFZSA-N 0 1 441.547 4.722 50 0 IJAAMN Nc1c(Cl)cc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000065497739 569138834 /nfs/dbraw/zinc/13/88/34/569138834.db2.gz ZQWNTTAAOLRDDB-SFHVURJKSA-N 0 1 432.273 4.969 50 0 IJAAMN Cc1cc(O)c([C@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000016993863 569169865 /nfs/dbraw/zinc/16/98/65/569169865.db2.gz GWVKRSQSXGWEAX-QHCPKHFHSA-N 0 1 426.944 4.978 50 0 IJAAMN COc1ccc([C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471212 569282594 /nfs/dbraw/zinc/28/25/94/569282594.db2.gz NUCPLOKRQYXCAE-SFHVURJKSA-N 0 1 447.409 4.842 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3C)nn2[C@H]1c1cccs1 ZINC000020134033 569335561 /nfs/dbraw/zinc/33/55/61/569335561.db2.gz YZIOQLXJIUEKFW-SFHVURJKSA-N 0 1 426.567 4.792 50 0 IJAAMN COc1cccc(-c2nc(C)c(C(=O)O[C@H](CCc3ccccc3)c3nccn3C)[nH]2)c1 ZINC000095450783 569367788 /nfs/dbraw/zinc/36/77/88/569367788.db2.gz XBFCEFOGJIJEJF-OAQYLSRUSA-N 0 1 430.508 4.658 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1ccc(Cl)cc1)CC(=O)O2 ZINC000096115899 569383452 /nfs/dbraw/zinc/38/34/52/569383452.db2.gz YYAVTOIZLUBRPZ-INIZCTEOSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c(OC)c1 ZINC000096116273 569383645 /nfs/dbraw/zinc/38/36/45/569383645.db2.gz SOUGXGGJQINUAS-QGZVFWFLSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)s2)on1 ZINC000096323479 569395366 /nfs/dbraw/zinc/39/53/66/569395366.db2.gz BRSUFZLNZAFXNK-UHFFFAOYSA-N 0 1 427.345 4.892 50 0 IJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)[nH]n2)cc2c1cccc2OC ZINC000096398644 569399721 /nfs/dbraw/zinc/39/97/21/569399721.db2.gz QORSJBGTHOKWEX-UHFFFAOYSA-N 0 1 438.915 4.903 50 0 IJAAMN COc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)[nH]n2)c(OC)c1 ZINC000057412913 569433810 /nfs/dbraw/zinc/43/38/10/569433810.db2.gz JITSWJAMABLWSG-UHFFFAOYSA-N 0 1 427.460 4.577 50 0 IJAAMN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000230195737 569439968 /nfs/dbraw/zinc/43/99/68/569439968.db2.gz DLUOLNUWOQNETR-MBSDFSHPSA-N 0 1 441.934 4.794 50 0 IJAAMN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CN(CC)CC ZINC000003296319 569444723 /nfs/dbraw/zinc/44/47/23/569444723.db2.gz YVRMNXSAXGYCFP-UHFFFAOYSA-N 0 1 439.375 4.635 50 0 IJAAMN O=S(=O)(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(Cl)ccc1Cl ZINC000031722901 569457121 /nfs/dbraw/zinc/45/71/21/569457121.db2.gz MOGXGCGWAGVNKO-UHFFFAOYSA-N 0 1 434.366 4.511 50 0 IJAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4cc(F)ccc42)CC3)cc1 ZINC000031816042 569457968 /nfs/dbraw/zinc/45/79/68/569457968.db2.gz DIHRHVSXHMRTDR-NRFANRHFSA-N 0 1 437.496 4.623 50 0 IJAAMN Cc1nc(-c2ccc(C)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000038652162 569465720 /nfs/dbraw/zinc/46/57/20/569465720.db2.gz XOTPIRUNPUBWHE-UHFFFAOYSA-N 0 1 443.576 4.779 50 0 IJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc3sc(C)c(C)c3c(N)n2)n1 ZINC000008747376 569473079 /nfs/dbraw/zinc/47/30/79/569473079.db2.gz QKLIVQCFUKJVRB-UHFFFAOYSA-N 0 1 432.962 4.630 50 0 IJAAMN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1cnc[nH]1)occ3-c1ccccc1 ZINC000008791887 569476309 /nfs/dbraw/zinc/47/63/09/569476309.db2.gz OVYVAFFIMSUHTQ-UHFFFAOYSA-N 0 1 441.487 4.529 50 0 biogenic IJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000008845161 569478728 /nfs/dbraw/zinc/47/87/28/569478728.db2.gz KAWDGYDMZDLWPI-XMMPIXPASA-N 0 1 443.478 4.989 50 0 IJAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845423 569478878 /nfs/dbraw/zinc/47/88/78/569478878.db2.gz KJMSWSSEZZKBIC-RUZDIDTESA-N 0 1 440.503 4.712 50 0 IJAAMN CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280339 569502084 /nfs/dbraw/zinc/50/20/84/569502084.db2.gz NGUZBWZGVJDSFJ-ISKFKSNPSA-N 0 1 449.595 4.940 50 0 IJAAMN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280339 569502085 /nfs/dbraw/zinc/50/20/85/569502085.db2.gz NGUZBWZGVJDSFJ-ISKFKSNPSA-N 0 1 449.595 4.940 50 0 IJAAMN Cc1[nH]ncc1CN(C(=O)C(C)(C)c1ccccc1F)C(=O)C(C)(C)c1ccccc1F ZINC000069653355 569511476 /nfs/dbraw/zinc/51/14/76/569511476.db2.gz LMINYKPNQPOXFQ-UHFFFAOYSA-N 0 1 439.506 4.807 50 0 IJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009243395 569514856 /nfs/dbraw/zinc/51/48/56/569514856.db2.gz MOOGPXCCGWYOHO-QFIPXVFZSA-N 0 1 439.943 4.579 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000009354771 569525103 /nfs/dbraw/zinc/52/51/03/569525103.db2.gz RIQAAXDLVUZNDQ-UHFFFAOYSA-N 0 1 437.546 4.966 50 0 IJAAMN CCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408946 569530853 /nfs/dbraw/zinc/53/08/53/569530853.db2.gz PJXBAKDZVSGSIS-DFBJGRDBSA-N 0 1 447.535 4.685 50 0 IJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000009409103 569530885 /nfs/dbraw/zinc/53/08/85/569530885.db2.gz YHZYAYJEHSNMHW-XMMPIXPASA-N 0 1 435.524 4.541 50 0 IJAAMN CN(C)CCN(C(=O)c1ccc(Br)cc1)c1nc2c(cccc2Cl)s1 ZINC000009604009 569551819 /nfs/dbraw/zinc/55/18/19/569551819.db2.gz LVDKNRADLZJXAL-UHFFFAOYSA-N 0 1 438.778 4.921 50 0 IJAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1noc2c1CCc1sccc1-2 ZINC000009642670 569555850 /nfs/dbraw/zinc/55/58/50/569555850.db2.gz SDESNGVDDPWYKX-UHFFFAOYSA-N 0 1 441.984 4.797 50 0 IJAAMN Cn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009942253 569574046 /nfs/dbraw/zinc/57/40/46/569574046.db2.gz MDYVZKBCEKUNJG-UHFFFAOYSA-N 0 1 441.373 4.964 50 0 IJAAMN COc1ccc2[nH]c(-c3ccccc3)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793422 193920954 /nfs/dbraw/zinc/92/09/54/193920954.db2.gz FPBAGUFVKXETSD-UHFFFAOYSA-N 0 1 425.532 4.526 50 0 IJAAMN CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC000006287895 132276881 /nfs/dbraw/zinc/27/68/81/132276881.db2.gz PXUMPNLLASGJTF-UHFFFAOYSA-N 0 1 440.341 4.713 50 0 IJAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Sc2ccccn2)cc1 ZINC000058191804 519731673 /nfs/dbraw/zinc/73/16/73/519731673.db2.gz QQTWQLQDAMVDOJ-UHFFFAOYSA-N 0 1 433.942 4.645 50 0 IJAAMN CC1CCN([C@@H](CNC(=O)c2cc(F)ccc2Br)c2cccs2)CC1 ZINC000022680971 521034569 /nfs/dbraw/zinc/03/45/69/521034569.db2.gz HYGFNQBWHYTLCE-KRWDZBQOSA-N 0 1 425.367 4.853 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(C)cc1)=N2 ZINC000035372546 521584249 /nfs/dbraw/zinc/58/42/49/521584249.db2.gz ZZDQSYOPXAKYCF-UHFFFAOYSA-N 0 1 434.609 4.689 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccccc1)=N2 ZINC000035372805 521584468 /nfs/dbraw/zinc/58/44/68/521584468.db2.gz WYVBWANVOCWUFC-UHFFFAOYSA-N 0 1 441.000 4.725 50 0 IJAAMN COCCN1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000012588585 523861975 /nfs/dbraw/zinc/86/19/75/523861975.db2.gz WAYSHGYBEUULEX-VAWYXSNFSA-N 0 1 434.609 4.509 50 0 IJAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000012527616 523925807 /nfs/dbraw/zinc/92/58/07/523925807.db2.gz ZVCWUZUDIRQGGE-UHFFFAOYSA-N 0 1 444.963 4.536 50 0 IJAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000035372813 524230101 /nfs/dbraw/zinc/23/01/01/524230101.db2.gz STRYAFCHKABASF-UHFFFAOYSA-N 0 1 441.000 4.643 50 0 IJAAMN Cc1ccc(-c2csc(CC3=NC(=O)C(CC(=O)Nc4ccccc4F)S3)n2)cc1 ZINC000012797469 525778727 /nfs/dbraw/zinc/77/87/27/525778727.db2.gz DGJJKQBYTYBJTN-SFHVURJKSA-N 0 1 439.537 4.869 50 0 IJAAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000022791554 526217951 /nfs/dbraw/zinc/21/79/51/526217951.db2.gz PZPJWRUHGWZFCU-WGDIFIGCSA-N 0 1 445.588 4.680 50 0 IJAAMN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000021367948 526747919 /nfs/dbraw/zinc/74/79/19/526747919.db2.gz XXGBNCVPURAWAT-KRWDZBQOSA-N 0 1 429.973 4.893 50 0 IJAAMN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012460128 526915619 /nfs/dbraw/zinc/91/56/19/526915619.db2.gz LTJIAPYMZQLTSM-HHHXNRCGSA-N 0 1 441.575 4.932 50 0 IJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2Cl)c1C ZINC000001072853 555622145 /nfs/dbraw/zinc/62/21/45/555622145.db2.gz MFGNQEQDSMGUSK-UHFFFAOYSA-N 0 1 428.941 4.688 50 0 IJAAMN CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)C(=O)Oc2ccccc2[C@@H]1c1ccccc1 ZINC000001158457 555660511 /nfs/dbraw/zinc/66/05/11/555660511.db2.gz XDNIGSIBLAUGCL-OZXSUGGESA-N 0 1 432.447 4.699 50 0 IJAAMN COc1ccc(-c2[nH]nc(C3CCOCC3)c2NC(=O)OCc2ccccc2)cc1OC ZINC000034794003 555917189 /nfs/dbraw/zinc/91/71/89/555917189.db2.gz WERJOKKTIYSTRA-UHFFFAOYSA-N 0 1 437.496 4.737 50 0 IJAAMN CCN(c1cccc(C)c1)c1nc(-c2ccccc2)ncc1C(=O)NCCN1CCCCC1 ZINC000034922092 555932398 /nfs/dbraw/zinc/93/23/98/555932398.db2.gz FGFPIJAOOWDUIW-UHFFFAOYSA-N 0 1 443.595 4.826 50 0 IJAAMN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000004931297 556021482 /nfs/dbraw/zinc/02/14/82/556021482.db2.gz XMHIHKAENWYQKY-DEOSSOPVSA-N 0 1 430.589 4.555 50 0 IJAAMN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000013691597 556281013 /nfs/dbraw/zinc/28/10/13/556281013.db2.gz FLOUJQOABOPRKO-VWLOTQADSA-N 0 1 437.478 4.880 50 0 IJAAMN CCCc1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)cn1 ZINC000011772642 556350634 /nfs/dbraw/zinc/35/06/34/556350634.db2.gz QBYCMNRCLOTCHL-UHFFFAOYSA-N 0 1 444.579 4.955 50 0 IJAAMN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3OC)N3CCC(C)CC3)no2)cc1 ZINC000011905340 556374027 /nfs/dbraw/zinc/37/40/27/556374027.db2.gz GICGQUSTNMCEBL-HSZRJFAPSA-N 0 1 449.551 4.562 50 0 IJAAMN CN(C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289723 556449137 /nfs/dbraw/zinc/44/91/37/556449137.db2.gz KTNHDXXUAJULNW-LJQANCHMSA-N 0 1 426.944 4.777 50 0 IJAAMN CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)n1 ZINC000028289239 556449204 /nfs/dbraw/zinc/44/92/04/556449204.db2.gz SCJRDWXKOOQOBC-SFHVURJKSA-N 0 1 433.021 4.716 50 0 IJAAMN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028289974 556449425 /nfs/dbraw/zinc/44/94/25/556449425.db2.gz HQNGMNJIYMZLRQ-QGZVFWFLSA-N 0 1 430.957 4.855 50 0 IJAAMN COc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1 ZINC000072275417 556456107 /nfs/dbraw/zinc/45/61/07/556456107.db2.gz ZNBCJHOXHHMIBW-UHFFFAOYSA-N 0 1 441.940 4.856 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013128809 556478529 /nfs/dbraw/zinc/47/85/29/556478529.db2.gz YMJAHWZRTWNZIH-MRXNPFEDSA-N 0 1 435.578 4.580 50 0 IJAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032707880 556499022 /nfs/dbraw/zinc/49/90/22/556499022.db2.gz JFOXCPGJYGCPQD-UHFFFAOYSA-N 0 1 447.364 4.635 50 0 IJAAMN COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000015946331 556567419 /nfs/dbraw/zinc/56/74/19/556567419.db2.gz KGZQGRZFBSIMRM-KRWDZBQOSA-N 0 1 436.375 4.715 50 0 IJAAMN COc1c2c(cc3c1[C@H]([C@H]1c4ccccc4-c4ccc(C(C)=O)cc41)N(C)CC3)OCO2 ZINC000033697575 556622271 /nfs/dbraw/zinc/62/22/71/556622271.db2.gz LQTAEKCRFQHJPA-LOSJGSFVSA-N 0 1 427.500 4.968 50 0 biogenic IJAAMN O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCN(Cc2cccs2)CC1 ZINC000058019073 556754501 /nfs/dbraw/zinc/75/45/01/556754501.db2.gz KGCUTWKVTFNBML-UHFFFAOYSA-N 0 1 431.605 4.659 50 0 IJAAMN O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000058300402 556778582 /nfs/dbraw/zinc/77/85/82/556778582.db2.gz LWLFDDRWRMBSTK-UHFFFAOYSA-N 0 1 446.595 4.742 50 0 IJAAMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1CCC(C)C ZINC000019991306 556957147 /nfs/dbraw/zinc/95/71/47/556957147.db2.gz RJDRPTRHANXEHK-UHFFFAOYSA-N 0 1 430.596 4.579 50 0 IJAAMN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4cccc(Cl)c4)CC3)CC2)c1C ZINC000020100378 556980044 /nfs/dbraw/zinc/98/00/44/556980044.db2.gz FPAIRMKYRZJORA-UHFFFAOYSA-N 0 1 426.004 4.518 50 0 IJAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000023119071 557006775 /nfs/dbraw/zinc/00/67/75/557006775.db2.gz ZTEYYTUJYGMNRN-FQEVSTJZSA-N 0 1 441.455 4.605 50 0 IJAAMN O[C@H](CSc1ccc(F)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421542 557015175 /nfs/dbraw/zinc/01/51/75/557015175.db2.gz OMVPTGIFRBDWKQ-DEOSSOPVSA-N 0 1 436.596 4.686 50 0 IJAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3nc(C)c(C)nc3C)CC2)c1 ZINC000023145628 557068149 /nfs/dbraw/zinc/06/81/49/557068149.db2.gz ZXYTUGTVJNFQQQ-UHFFFAOYSA-N 0 1 444.579 4.928 50 0 IJAAMN O=c1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2sc3c(n21)CCCC3 ZINC000023845833 557120331 /nfs/dbraw/zinc/12/03/31/557120331.db2.gz MCRXEAMAKMLJDV-HNNXBMFYSA-N 0 1 436.606 4.624 50 0 IJAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)Cl)cc3)[nH]c2c1 ZINC000000718533 557148931 /nfs/dbraw/zinc/14/89/31/557148931.db2.gz FQAGITIKASSYGN-UHFFFAOYSA-N 0 1 427.860 4.860 50 0 IJAAMN Cc1ccc(-c2csc(N3[NH2+]C4=C(COc5ccccc54)[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957636 557159241 /nfs/dbraw/zinc/15/92/41/557159241.db2.gz IZUYGJHIILAGJL-MGPUTAFESA-N 0 1 431.439 4.602 50 0 IJAAMN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@@H](c4ccsc4)N(C)C)cc3)o2)c1 ZINC000025332238 557204881 /nfs/dbraw/zinc/20/48/81/557204881.db2.gz ANAPTEZCIFVODO-NRFANRHFSA-N 0 1 432.549 4.806 50 0 IJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000026121276 557235185 /nfs/dbraw/zinc/23/51/85/557235185.db2.gz NUKHBAIIUXATOD-UHFFFAOYSA-N 0 1 436.556 4.558 50 0 IJAAMN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)c1 ZINC000023441775 557358009 /nfs/dbraw/zinc/35/80/09/557358009.db2.gz ONXRPCMHESLCHC-UHFFFAOYSA-N 0 1 427.504 4.733 50 0 biogenic IJAAMN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102764604 557381281 /nfs/dbraw/zinc/38/12/81/557381281.db2.gz OPQARVUTIOVVNJ-UBFVSLLYSA-N 0 1 442.515 4.753 50 0 IJAAMN CCOC(=O)C1=C(CN2CCCC[C@H]2C)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000104938295 557466116 /nfs/dbraw/zinc/46/61/16/557466116.db2.gz BQBCJGFSDCSDBZ-WZONZLPQSA-N 0 1 441.616 4.762 50 0 IJAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000012063450 557525831 /nfs/dbraw/zinc/52/58/31/557525831.db2.gz UFBOQZJECCYPHF-DEOSSOPVSA-N 0 1 445.475 4.533 50 0 IJAAMN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccc4ccccc43)[nH]n2)CC1 ZINC000044838800 557538772 /nfs/dbraw/zinc/53/87/72/557538772.db2.gz PAFVQASSUNNWTK-UHFFFAOYSA-N 0 1 426.520 4.591 50 0 IJAAMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccnc2)CC1 ZINC000038546783 557591669 /nfs/dbraw/zinc/59/16/69/557591669.db2.gz USSLWSYLAQYMMP-NRFANRHFSA-N 0 1 440.638 4.801 50 0 IJAAMN Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000238882135 557841708 /nfs/dbraw/zinc/84/17/08/557841708.db2.gz CMPZVTXUNYKVOW-UHFFFAOYSA-N 0 1 428.330 4.508 50 0 IJAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008606617 562957063 /nfs/dbraw/zinc/95/70/63/562957063.db2.gz UUAQZTPYRRDRNU-DEOSSOPVSA-N 0 1 429.476 4.828 50 0 aggregator IJAAMN COc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2cc1OC ZINC000010066071 562978352 /nfs/dbraw/zinc/97/83/52/562978352.db2.gz UJEUVXIWDKLGIO-UHFFFAOYSA-N 0 1 435.549 4.675 50 0 IJAAMN COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000104999517 568623973 /nfs/dbraw/zinc/62/39/73/568623973.db2.gz LDNYLGCHROVPMQ-HSZRJFAPSA-N 0 1 437.584 4.504 50 0 IJAAMN O=C(CCCc1nc(-c2ccccc2)no1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025146053 568641212 /nfs/dbraw/zinc/64/12/12/568641212.db2.gz DJRNLNPQIPKEAA-VWLOTQADSA-N 0 1 437.503 4.841 50 0 IJAAMN O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664775 568833871 /nfs/dbraw/zinc/83/38/71/568833871.db2.gz YGFOOUHBJWDHFE-UHFFFAOYSA-N 0 1 425.816 4.750 50 0 IJAAMN CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000000825839 568837965 /nfs/dbraw/zinc/83/79/65/568837965.db2.gz DNNRNQCQNCRHHM-XMMPIXPASA-N 0 1 428.488 4.637 50 0 IJAAMN COc1ccc(Cl)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146427 568846066 /nfs/dbraw/zinc/84/60/66/568846066.db2.gz WEBWHDSLJDANKV-UHFFFAOYSA-N 0 1 434.876 4.541 50 0 IJAAMN O=C(Nc1ccccc1F)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006147018 568846277 /nfs/dbraw/zinc/84/62/77/568846277.db2.gz OVKDCKKBLHUOPR-UHFFFAOYSA-N 0 1 449.301 4.641 50 0 IJAAMN CC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)nn2)CC1 ZINC000015882214 568856737 /nfs/dbraw/zinc/85/67/37/568856737.db2.gz GOZXSBCVNKDLFV-UHFFFAOYSA-N 0 1 442.972 4.834 50 0 IJAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5OC)coc-4c32)cc1 ZINC000524729236 568903984 /nfs/dbraw/zinc/90/39/84/568903984.db2.gz KPFICKFNRDOYJA-KRWDZBQOSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306470 568995667 /nfs/dbraw/zinc/99/56/67/568995667.db2.gz SWFVRVYAOLZGLX-QFIPXVFZSA-N 0 1 435.568 4.550 50 0 IJAAMN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306518 568995678 /nfs/dbraw/zinc/99/56/78/568995678.db2.gz NGUZBWZGVJDSFJ-UPVQGACJSA-N 0 1 449.595 4.940 50 0 IJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)C(C)C ZINC000036306310 568995727 /nfs/dbraw/zinc/99/57/27/568995727.db2.gz DOXDKHSIABABJF-XMMPIXPASA-N 0 1 437.584 4.653 50 0 IJAAMN Cc1ccc2nc(NC(=O)c3cn[nH]c3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2c1 ZINC000252491642 569187583 /nfs/dbraw/zinc/18/75/83/569187583.db2.gz LPBUBXGQIFYYLZ-CQSZACIVSA-N 0 1 441.557 4.695 50 0 IJAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000253383321 569264163 /nfs/dbraw/zinc/26/41/63/569264163.db2.gz LEHDGEHPOHUFBQ-GSTLAZBSSA-N 0 1 448.522 4.639 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1cccs1 ZINC000020134030 569335543 /nfs/dbraw/zinc/33/55/43/569335543.db2.gz YZIOQLXJIUEKFW-GOSISDBHSA-N 0 1 426.567 4.792 50 0 IJAAMN O[C@H](CSc1cccc(C(F)(F)F)c1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020385227 569363024 /nfs/dbraw/zinc/36/30/24/569363024.db2.gz HERCZGFXKOWPGD-SFHVURJKSA-N 0 1 430.923 4.634 50 0 IJAAMN COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1 ZINC000096114675 569383050 /nfs/dbraw/zinc/38/30/50/569383050.db2.gz IHNYENWLENYRMS-KRWDZBQOSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN Cc1ccc(OCC(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183694 569386070 /nfs/dbraw/zinc/38/60/70/569386070.db2.gz WFHRWFKJFGIWKW-MUUNZHRXSA-N 0 1 428.576 4.924 50 0 IJAAMN CC(C)(CNC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003076452 569439858 /nfs/dbraw/zinc/43/98/58/569439858.db2.gz KHPQSCMURRCAAF-UHFFFAOYSA-N 0 1 428.985 4.776 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000003231448 569442298 /nfs/dbraw/zinc/44/22/98/569442298.db2.gz MHOSIDVGXGTCBL-UHFFFAOYSA-N 0 1 431.901 4.793 50 0 IJAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000032093163 569459714 /nfs/dbraw/zinc/45/97/14/569459714.db2.gz WNYAWGCDQLZISA-XMMPIXPASA-N 0 1 433.939 4.918 50 0 IJAAMN CCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000008845831 569478974 /nfs/dbraw/zinc/47/89/74/569478974.db2.gz PDRBRGBAESJUMV-XMMPIXPASA-N 0 1 435.524 4.781 50 0 IJAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000008961388 569491012 /nfs/dbraw/zinc/49/10/12/569491012.db2.gz MRBVWALRTWOGIP-UHFFFAOYSA-N 0 1 444.896 4.816 50 0 IJAAMN Cn1cc(-c2nc(C(=O)Nc3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cs2)cn1 ZINC000040156455 569494171 /nfs/dbraw/zinc/49/41/71/569494171.db2.gz MHPACCNXSKKWHI-UHFFFAOYSA-N 0 1 434.912 4.993 50 0 IJAAMN CC(=O)Nc1ccc2nc(NC(=O)CSc3nc4ccc(Cl)cc4[nH]3)sc2c1 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/nfs/dbraw/zinc/06/64/28/557066428.db2.gz WBPAGNHZCKMEDY-UHFFFAOYSA-N 0 1 442.654 4.505 50 0 IJAAMN CN(C)[C@@H](CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1cccs1 ZINC000024775501 557166616 /nfs/dbraw/zinc/16/66/16/557166616.db2.gz NRJGBAMYDRZCOI-FQEVSTJZSA-N 0 1 436.606 4.949 50 0 IJAAMN COc1ccc(OCC(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000072260003 557233631 /nfs/dbraw/zinc/23/36/31/557233631.db2.gz IJWUIGZXAQWAER-NDEPHWFRSA-N 0 1 444.575 4.625 50 0 IJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121329 557235155 /nfs/dbraw/zinc/23/51/55/557235155.db2.gz AVXWZLLZATYZAH-UHFFFAOYSA-N 0 1 440.975 4.959 50 0 IJAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101102719 557255700 /nfs/dbraw/zinc/25/57/00/557255700.db2.gz LSSSCLSZTSZTQM-VXNXHJTFSA-N 0 1 441.462 4.667 50 0 IJAAMN O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc21 ZINC000100266582 557256299 /nfs/dbraw/zinc/25/62/99/557256299.db2.gz SYRKOPHMPLPLPQ-UHFFFAOYSA-N 0 1 428.469 4.809 50 0 aggregator IJAAMN CN1CCN([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000027664223 557270350 /nfs/dbraw/zinc/27/03/50/557270350.db2.gz RBTANTUVAQWQST-RUZDIDTESA-N 0 1 448.010 4.577 50 0 IJAAMN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)cc1OC ZINC000023440077 557357716 /nfs/dbraw/zinc/35/77/16/557357716.db2.gz IUBBCGAGQJWXOH-UHFFFAOYSA-N 0 1 427.504 4.733 50 0 IJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102707314 557367268 /nfs/dbraw/zinc/36/72/68/557367268.db2.gz UXQUZXKOZPXCFG-YTFSRNRJSA-N 0 1 448.906 4.708 50 0 IJAAMN COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033625265 557424519 /nfs/dbraw/zinc/42/45/19/557424519.db2.gz GKLOHLPUKNNZDV-UHFFFAOYSA-N 0 1 428.485 4.504 50 0 IJAAMN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2ccccn2)CC1 ZINC000014881751 557530162 /nfs/dbraw/zinc/53/01/62/557530162.db2.gz QVPCAUHMHWPQRF-QHCPKHFHSA-N 0 1 437.971 4.924 50 0 IJAAMN CSc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000226899926 557810731 /nfs/dbraw/zinc/81/07/31/557810731.db2.gz JDGAMABBGGXDNF-BHDDXSALSA-N 0 1 434.492 4.599 50 0 IJAAMN CCc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008594980 562953171 /nfs/dbraw/zinc/95/31/71/562953171.db2.gz GQJVMAALMMTUFF-FQEVSTJZSA-N 0 1 439.556 4.833 50 0 IJAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1Cl ZINC000008608545 562957520 /nfs/dbraw/zinc/95/75/20/562957520.db2.gz KUEMPHPGIFBYGX-UHFFFAOYSA-N 0 1 448.928 4.999 50 0 IJAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)c1 ZINC000008845292 562965179 /nfs/dbraw/zinc/96/51/79/562965179.db2.gz MVMJFKAAGRVKPT-XMMPIXPASA-N 0 1 435.524 4.543 50 0 IJAAMN COc1ccc2nc(SCC(=O)Nc3cccn4cc(-c5ccccc5)nc34)[nH]c2c1 ZINC000001076144 568656795 /nfs/dbraw/zinc/65/67/95/568656795.db2.gz QWVHFSSYJISDIO-UHFFFAOYSA-N 0 1 429.505 4.617 50 0 IJAAMN Cc1cccc(-c2n[nH]c(SCc3cc(=O)n4c(-c5ccccc5)csc4n3)n2)c1 ZINC000015732023 568814782 /nfs/dbraw/zinc/81/47/82/568814782.db2.gz XDMUWCJTPIQSFS-UHFFFAOYSA-N 0 1 431.546 4.809 50 0 IJAAMN COc1cc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc(OC)c1OC ZINC000015863864 568849531 /nfs/dbraw/zinc/84/95/31/568849531.db2.gz YPHYIWMEWFGEOD-UHFFFAOYSA-N 0 1 431.492 4.626 50 0 IJAAMN CCN(CC)CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH+](CC)CC)c(C)c2)cc1C ZINC000669368961 568883964 /nfs/dbraw/zinc/88/39/64/568883964.db2.gz TVLAMMWYSDFHEM-UHFFFAOYSA-N 0 1 438.616 4.531 50 0 IJAAMN Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]3[C@H]2c2ccco2)cc1 ZINC000238923545 568910193 /nfs/dbraw/zinc/91/01/93/568910193.db2.gz OSIPTGSIYCIGGH-ZCNNSNEGSA-N 0 1 442.393 4.658 50 0 IJAAMN COc1ccc(/C=C/CN2CCC[C@@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)cc1 ZINC000252448884 568919693 /nfs/dbraw/zinc/91/96/93/568919693.db2.gz LCJKIRWXYIGIAU-KUONEPGYSA-N 0 1 439.625 4.958 50 0 IJAAMN Cc1ccc(-c2csc3[nH]c(CN(CCC(C)C)CC(C)(C)O)nc(=O)c23)c(C)c1 ZINC000036206474 568972799 /nfs/dbraw/zinc/97/27/99/568972799.db2.gz BJLLURONAZJIQC-UHFFFAOYSA-N 0 1 427.614 4.887 50 0 IJAAMN O=C(NCc1ccccc1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169678471 568989876 /nfs/dbraw/zinc/98/98/76/568989876.db2.gz XGUUEOUGZUVNIB-AHWVRZQESA-N 0 1 445.994 4.520 50 0 IJAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C[C@@H](O)COCc2ccccc2)C1 ZINC000169680840 568991270 /nfs/dbraw/zinc/99/12/70/568991270.db2.gz LFEOCHOWKMPYEG-FTJBHMTQSA-N 0 1 444.575 4.568 50 0 IJAAMN Cc1cccc(Oc2c(CN(C[C@@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306434 568995607 /nfs/dbraw/zinc/99/56/07/568995607.db2.gz VIOXYWLTQLKCDJ-HSZRJFAPSA-N 0 1 449.595 4.938 50 0 IJAAMN Cc1cccc(Oc2c(CN(C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306432 568995746 /nfs/dbraw/zinc/99/57/46/568995746.db2.gz VIOXYWLTQLKCDJ-QHCPKHFHSA-N 0 1 449.595 4.938 50 0 IJAAMN COc1ccccc1C1=NN(C(=O)CN2CCCC[C@H]2C)[C@H](c2ccccc2Cl)C1 ZINC000036343922 569079847 /nfs/dbraw/zinc/07/98/47/569079847.db2.gz MDYUVQJJKIKMAP-VGSWGCGISA-N 0 1 425.960 4.901 50 0 IJAAMN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344036 569080055 /nfs/dbraw/zinc/08/00/55/569080055.db2.gz SQJKTIIPOKRECY-VWLOTQADSA-N 0 1 435.568 4.504 50 0 IJAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3cccnc3)c2c1 ZINC000036367188 569087324 /nfs/dbraw/zinc/08/73/24/569087324.db2.gz HLHGNKDXPZERQB-SANMLTNESA-N 0 1 449.514 4.750 50 0 IJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc12 ZINC000020114401 569334744 /nfs/dbraw/zinc/33/47/44/569334744.db2.gz GSIKUTPHFRRYEU-UHFFFAOYSA-N 0 1 428.458 4.566 50 0 IJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000020331446 569360916 /nfs/dbraw/zinc/36/09/16/569360916.db2.gz CURRJUKVAOANPQ-UHFFFAOYSA-N 0 1 442.585 4.558 50 0 IJAAMN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000095483668 569374594 /nfs/dbraw/zinc/37/45/94/569374594.db2.gz LBRWZPVCECDHRK-ZLNRFVROSA-N 0 1 448.906 4.708 50 0 IJAAMN COc1ccc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1 ZINC000096114676 569383034 /nfs/dbraw/zinc/38/30/34/569383034.db2.gz IHNYENWLENYRMS-QGZVFWFLSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(Cl)c1Cl ZINC000002636142 569412972 /nfs/dbraw/zinc/41/29/72/569412972.db2.gz VWBQPOIKUJLNMS-UHFFFAOYSA-N 0 1 437.352 4.779 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000057315254 569430728 /nfs/dbraw/zinc/43/07/28/569430728.db2.gz RFRKYEDMVDEWKB-HNNXBMFYSA-N 0 1 439.462 4.515 50 0 IJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008845302 569478850 /nfs/dbraw/zinc/47/88/50/569478850.db2.gz RMSOXBTYIBCEIL-UQBPGWFLSA-N 0 1 447.535 4.685 50 0 IJAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845424 569478859 /nfs/dbraw/zinc/47/88/59/569478859.db2.gz KJMSWSSEZZKBIC-VWLOTQADSA-N 0 1 440.503 4.712 50 0 IJAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845425 569478874 /nfs/dbraw/zinc/47/88/74/569478874.db2.gz DDGSOTINRGBSAC-HSZRJFAPSA-N 0 1 428.517 4.645 50 0 IJAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845717 569478972 /nfs/dbraw/zinc/47/89/72/569478972.db2.gz WZYZAVOCOFEUAZ-VWLOTQADSA-N 0 1 440.503 4.630 50 0 IJAAMN O=C1Nc2cc(Cl)ccc2Oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000008961396 569491057 /nfs/dbraw/zinc/49/10/57/569491057.db2.gz ZXQDZASPZUJDNX-UHFFFAOYSA-N 0 1 436.823 4.777 50 0 IJAAMN NC=C(CCN1C(=O)c2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1ccccn1)c1ccccc1 ZINC000008990207 569495016 /nfs/dbraw/zinc/49/50/16/569495016.db2.gz ZQRFBUVFJPHCCH-OJHGWFAHSA-N 0 1 439.494 4.546 50 0 IJAAMN Fc1ccc([C@@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000009382428 569528267 /nfs/dbraw/zinc/52/82/67/569528267.db2.gz QHOKDTVHUUDXCM-GOSISDBHSA-N 0 1 436.434 4.792 50 0 IJAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000009409069 569530823 /nfs/dbraw/zinc/53/08/23/569530823.db2.gz PBOYVOOGAYAQKB-RUZDIDTESA-N 0 1 449.551 4.933 50 0 IJAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000009409123 569530895 /nfs/dbraw/zinc/53/08/95/569530895.db2.gz VFEVQDXACMLVAQ-XMMPIXPASA-N 0 1 435.524 4.541 50 0 IJAAMN CCCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 ZINC000009409222 569530907 /nfs/dbraw/zinc/53/09/07/569530907.db2.gz QPHRRUZMPXBBOK-VWLOTQADSA-N 0 1 449.551 4.669 50 0 IJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000009409265 569530982 /nfs/dbraw/zinc/53/09/82/569530982.db2.gz YOQJFWFLNDBJCC-XMMPIXPASA-N 0 1 435.524 4.925 50 0 IJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000009409266 569530984 /nfs/dbraw/zinc/53/09/84/569530984.db2.gz YOQJFWFLNDBJCC-DEOSSOPVSA-N 0 1 435.524 4.925 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1F ZINC000009942428 569574057 /nfs/dbraw/zinc/57/40/57/569574057.db2.gz XZIXISBRNHSHRP-FQEVSTJZSA-N 0 1 438.528 4.870 50 0 IJAAMN Cc1nn2c(nc(C)cc2N2CCN(Cc3ccc(C)cc3C)CC2)c1-c1ccccc1 ZINC000005576129 132275581 /nfs/dbraw/zinc/27/55/81/132275581.db2.gz CZRBUZSIHZQEPR-UHFFFAOYSA-N 0 1 425.580 4.952 50 0 IJAAMN CC(C)Oc1ccccc1-c1n[nH]c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000020808012 519783809 /nfs/dbraw/zinc/78/38/09/519783809.db2.gz GBWAYKDGOJBROQ-UHFFFAOYSA-N 0 1 432.343 4.996 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372491 521585482 /nfs/dbraw/zinc/58/54/82/521585482.db2.gz HJTDSLVSSVVRHC-UHFFFAOYSA-N 0 1 441.000 4.725 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(C)cc1)=N2 ZINC000035372588 521585494 /nfs/dbraw/zinc/58/54/94/521585494.db2.gz XSALLLMGMVSIDX-UHFFFAOYSA-N 0 1 448.636 4.997 50 0 IJAAMN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000012637212 521615640 /nfs/dbraw/zinc/61/56/40/521615640.db2.gz LNOTXAUKYVRPQR-UHFFFAOYSA-N 0 1 427.853 4.706 50 0 IJAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1cccc(F)c1 ZINC000012150515 521888774 /nfs/dbraw/zinc/88/87/74/521888774.db2.gz VHXGWAWMBMETSR-UHFFFAOYSA-N 0 1 449.551 4.859 50 0 IJAAMN CN(C)Cc1ccc(CSCCNC(=O)Nc2ccc(OCc3ccccc3)cc2)o1 ZINC000012340430 521907872 /nfs/dbraw/zinc/90/78/72/521907872.db2.gz JFOFCEVGSZNSFZ-UHFFFAOYSA-N 0 1 439.581 4.975 50 0 IJAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000020734444 522230128 /nfs/dbraw/zinc/23/01/28/522230128.db2.gz LRWJZNQPUZVYQO-IBGZPJMESA-N 0 1 445.306 4.683 50 0 IJAAMN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000012385644 523834884 /nfs/dbraw/zinc/83/48/84/523834884.db2.gz ATJJFEYUUQKVSR-QHCPKHFHSA-N 0 1 438.959 4.700 50 0 IJAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(Br)s3)nc2c1C ZINC000012140825 524100272 /nfs/dbraw/zinc/10/02/72/524100272.db2.gz VYKGXXBYSNYGFP-UHFFFAOYSA-N 0 1 438.416 4.946 50 0 IJAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000022357412 524189953 /nfs/dbraw/zinc/18/99/53/524189953.db2.gz ZVGXEOQOPSSKKJ-NEPJUHHUSA-N 0 1 434.924 4.631 50 0 IJAAMN C[C@H](NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022917428 524953220 /nfs/dbraw/zinc/95/32/20/524953220.db2.gz CHHLQRABSXGNGI-NRFANRHFSA-N 0 1 448.010 4.924 50 0 IJAAMN Cc1ccccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(Cl)cc1 ZINC000035372497 525239991 /nfs/dbraw/zinc/23/99/91/525239991.db2.gz QREOVZBWRPIFSI-UHFFFAOYSA-N 0 1 441.000 4.643 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4ccco4)cc3C)s2)cc1 ZINC000015862025 525617981 /nfs/dbraw/zinc/61/79/81/525617981.db2.gz MKIQIIBNDJZPGN-UHFFFAOYSA-N 0 1 427.507 4.559 50 0 IJAAMN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)s1 ZINC000012314713 526074477 /nfs/dbraw/zinc/07/44/77/526074477.db2.gz VDXQPISFSJSYKX-NRFANRHFSA-N 0 1 430.589 4.729 50 0 IJAAMN O=C(CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1)NCc1cccc(Cl)c1 ZINC000020860450 526409129 /nfs/dbraw/zinc/40/91/29/526409129.db2.gz NLAIYOCWDKTRKK-UHFFFAOYSA-N 0 1 438.959 4.699 50 0 IJAAMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000012479974 526466771 /nfs/dbraw/zinc/46/67/71/526466771.db2.gz MAULWMUAVQGOBZ-DEOSSOPVSA-N 0 1 441.015 4.538 50 0 IJAAMN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000022680980 526611069 /nfs/dbraw/zinc/61/10/69/526611069.db2.gz MMVVEZBDISPAPM-GOSISDBHSA-N 0 1 426.611 4.778 50 0 IJAAMN Cc1nc(-c2cccnc2)sc1C(=O)Nc1n[nH]c2nc(C(F)(F)F)cc(C3CC3)c12 ZINC000020607110 526611623 /nfs/dbraw/zinc/61/16/23/526611623.db2.gz SHBMSEHFAABCRH-UHFFFAOYSA-N 0 1 444.442 4.933 50 0 IJAAMN O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035375719 526814924 /nfs/dbraw/zinc/81/49/24/526814924.db2.gz WAAAXVMBZZKAGF-ZGXDEKTJSA-N 0 1 443.934 4.643 50 0 IJAAMN COc1ccc(COC(=O)C2C(C)=NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001189244 555675557 /nfs/dbraw/zinc/67/55/57/555675557.db2.gz HRMPSTLMLQTUFW-XMMPIXPASA-N 0 1 444.487 4.859 50 0 IJAAMN COc1ccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034682607 555816859 /nfs/dbraw/zinc/81/68/59/555816859.db2.gz 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ZINC000089851319 569166212 /nfs/dbraw/zinc/16/62/12/569166212.db2.gz XOQLJCBHGOGAOL-INIZCTEOSA-N 0 1 437.429 4.684 50 0 IJAAMN FC(F)(F)c1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)nc(-c2cccnc2)n1 ZINC000089851319 569166213 /nfs/dbraw/zinc/16/62/13/569166213.db2.gz XOQLJCBHGOGAOL-INIZCTEOSA-N 0 1 437.429 4.684 50 0 IJAAMN COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccc(Cl)c(Cl)c1)=N2 ZINC000012951447 569305221 /nfs/dbraw/zinc/30/52/21/569305221.db2.gz DXNNBIHIWNWTHE-UHFFFAOYSA-N 0 1 436.320 4.534 50 0 IJAAMN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013353508 569313350 /nfs/dbraw/zinc/31/33/50/569313350.db2.gz MPRMKWSIWYJWLY-JXALWOEJSA-N 0 1 427.633 4.744 50 0 IJAAMN CCc1ccc(NC(=O)CCCn2c(=O)c3[nH]c4ccc(OC)cc4c3[nH]c2=S)cc1 ZINC000020330591 569360791 /nfs/dbraw/zinc/36/07/91/569360791.db2.gz GRJSQRVFXQARGK-UHFFFAOYSA-N 0 1 436.537 4.530 50 0 IJAAMN CC[C@@H]1CCCCN1C(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000020331591 569360972 /nfs/dbraw/zinc/36/09/72/569360972.db2.gz ZVYZFMIDOMMTNP-OAHLLOKOSA-N 0 1 442.585 4.510 50 0 IJAAMN Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)o2)cc1 ZINC000095993291 569378264 /nfs/dbraw/zinc/37/82/64/569378264.db2.gz ZWCFDTIUWGQDDU-NRFANRHFSA-N 0 1 441.535 4.774 50 0 IJAAMN CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c(Cl)c1 ZINC000096011117 569379798 /nfs/dbraw/zinc/37/97/98/569379798.db2.gz ZWPZEASGOLAEED-NRFANRHFSA-N 0 1 449.929 4.922 50 0 IJAAMN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OC ZINC000096114705 569383076 /nfs/dbraw/zinc/38/30/76/569383076.db2.gz DXOGXOYFLLCTFO-INIZCTEOSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)[nH]n1 ZINC000096400269 569400338 /nfs/dbraw/zinc/40/03/38/569400338.db2.gz VNSMHDKGTHCACB-UHFFFAOYSA-N 0 1 434.496 4.638 50 0 IJAAMN CN(C)CCN(C(=O)c1ccccc1Br)c1nc2c(cccc2Cl)s1 ZINC000009151871 569507647 /nfs/dbraw/zinc/50/76/47/569507647.db2.gz ZSHJXARNJDXYEK-UHFFFAOYSA-N 0 1 438.778 4.921 50 0 IJAAMN CSc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000009243672 569514936 /nfs/dbraw/zinc/51/49/36/569514936.db2.gz YMMMPTHVNMKWSW-QHCPKHFHSA-N 0 1 437.565 4.865 50 0 IJAAMN CC(C)(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009408911 569530708 /nfs/dbraw/zinc/53/07/08/569530708.db2.gz XNARGZFWVCNTQI-HOYKHHGWSA-N 0 1 431.536 4.804 50 0 IJAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009409056 569530795 /nfs/dbraw/zinc/53/07/95/569530795.db2.gz PPTVLHFOOINDAT-FQEVSTJZSA-N 0 1 432.307 4.671 50 0 IJAAMN COc1ccc2nc(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)[nH]c2c1 ZINC000009951721 569574478 /nfs/dbraw/zinc/57/44/78/569574478.db2.gz UDRJRMCEIHKEDT-FQEVSTJZSA-N 0 1 427.526 4.770 50 0 IJAAMN O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000009090282 132302643 /nfs/dbraw/zinc/30/26/43/132302643.db2.gz DVZAWBQKZMYNPD-UHFFFAOYSA-N 0 1 426.925 4.734 50 0 IJAAMN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cn(CC)nc2C)CC1 ZINC000012464085 520465176 /nfs/dbraw/zinc/46/51/76/520465176.db2.gz XLJPFMJQGPVGGC-UHFFFAOYSA-N 0 1 437.506 4.618 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1C)C(c1ccc(C)cc1)=N2 ZINC000035372634 521584879 /nfs/dbraw/zinc/58/48/79/521584879.db2.gz CFRLINHAXIYXAU-UHFFFAOYSA-N 0 1 448.636 4.997 50 0 IJAAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccn2)N(CCc2c[nH]c4ccccc24)C3=O)cc1 ZINC000012323746 523179035 /nfs/dbraw/zinc/17/90/35/523179035.db2.gz LRCCZZCKSMESOW-AREMUKBSSA-N 0 1 449.514 4.750 50 0 IJAAMN COc1ccc(NC(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl ZINC000020766708 524495366 /nfs/dbraw/zinc/49/53/66/524495366.db2.gz LHVWTYDZKKTZFR-UHFFFAOYSA-N 0 1 447.966 4.675 50 0 IJAAMN Cc1cc(C)n(CCCN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n1 ZINC000012447886 524518461 /nfs/dbraw/zinc/51/84/61/524518461.db2.gz PHFDLQQYGAIFDY-XMMPIXPASA-N 0 1 433.556 4.571 50 0 IJAAMN Cc1ccc(-c2csc(CC3=NC(=O)C(CC(=O)Nc4ccccc4F)S3)n2)cc1 ZINC000012797465 525778803 /nfs/dbraw/zinc/77/88/03/525778803.db2.gz DGJJKQBYTYBJTN-GOSISDBHSA-N 0 1 439.537 4.869 50 0 IJAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(Oc4ccccc4)cc2)C(=O)N3)cc1 ZINC000020727503 525827025 /nfs/dbraw/zinc/82/70/25/525827025.db2.gz ZHVXRFXZCRRVGT-NRFANRHFSA-N 0 1 439.475 4.568 50 0 IJAAMN CSc1cccc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1 ZINC000012205830 526095440 /nfs/dbraw/zinc/09/54/40/526095440.db2.gz UYUYTEGUHIZJOC-UHFFFAOYSA-N 0 1 447.604 4.777 50 0 IJAAMN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000022791562 526216332 /nfs/dbraw/zinc/21/63/32/526216332.db2.gz PZPJWRUHGWZFCU-MRDQGFSESA-N 0 1 445.588 4.680 50 0 IJAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012694277 526581294 /nfs/dbraw/zinc/58/12/94/526581294.db2.gz UCGDYGPBAOXBAH-XMMPIXPASA-N 0 1 440.547 4.758 50 0 IJAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCC[C@@H]1c1nccs1 ZINC000012306073 526707400 /nfs/dbraw/zinc/70/74/00/526707400.db2.gz ZIVRTUIGAAMAML-HSZRJFAPSA-N 0 1 448.592 4.559 50 0 IJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccs2)CC1 ZINC000021367905 526734719 /nfs/dbraw/zinc/73/47/19/526734719.db2.gz BWJXZBLGHZTSAS-UHFFFAOYSA-N 0 1 429.973 4.893 50 0 IJAAMN O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035375723 526814916 /nfs/dbraw/zinc/81/49/16/526814916.db2.gz WAAAXVMBZZKAGF-OHTANWTRSA-N 0 1 443.934 4.643 50 0 IJAAMN O=C1CC[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012155834 526993292 /nfs/dbraw/zinc/99/32/92/526993292.db2.gz QAJNOFXCFWDKRA-UTKZUKDTSA-N 0 1 438.440 4.997 50 0 IJAAMN OCCn1c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc21 ZINC000012549679 527575935 /nfs/dbraw/zinc/57/59/35/527575935.db2.gz LYCZRLHZHQLHOM-OAHLLOKOSA-N 0 1 426.973 4.671 50 0 IJAAMN O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012771391 527660012 /nfs/dbraw/zinc/66/00/12/527660012.db2.gz ICEBFHLIAHJSLW-CRAIPNDOSA-N 0 1 433.371 4.636 50 0 IJAAMN CC(C)(C)c1ccc(-c2[nH]nc(NS(=O)(=O)c3ccccc3)c2Br)cc1 ZINC000001037332 555608376 /nfs/dbraw/zinc/60/83/76/555608376.db2.gz RCLIFWCYMQCFAV-UHFFFAOYSA-N 0 1 434.359 4.938 50 0 IJAAMN COc1cccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000001044624 555610711 /nfs/dbraw/zinc/61/07/11/555610711.db2.gz GTBBCZHLSJKDQZ-UHFFFAOYSA-N 0 1 441.896 4.866 50 0 IJAAMN CCOC(=O)C1C(CNc2ccc(C)c(Cl)c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001069995 555620602 /nfs/dbraw/zinc/62/06/02/555620602.db2.gz XUMIGMCWRXJXLE-IBGZPJMESA-N 0 1 434.323 4.585 50 0 IJAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C)ccc2Cl)cc1C ZINC000002884231 555857200 /nfs/dbraw/zinc/85/72/00/555857200.db2.gz QHSBRELHZDJISV-UHFFFAOYSA-N 0 1 442.968 4.996 50 0 IJAAMN CCOc1cc(CNC(C)(C)CO)c(Br)cc1OCc1ccccc1Cl ZINC000002884420 555857284 /nfs/dbraw/zinc/85/72/84/555857284.db2.gz BAHDSPGKAGDNAZ-UHFFFAOYSA-N 0 1 442.781 4.941 50 0 IJAAMN O=c1c(Cc2ccccc2)c([O-])[n+]2nc(-c3ccccc3)ccc2n1-c1ccc(Cl)cc1 ZINC000008384860 556160540 /nfs/dbraw/zinc/16/05/40/556160540.db2.gz IWBZPYCFDYYNCV-UHFFFAOYSA-O 0 1 440.910 4.588 50 0 IJAAMN COC(=O)c1sc2cc(NC(=O)c3cc(-c4ccc(OC)cc4)n[nH]3)ccc2c1Cl ZINC000013960307 556347636 /nfs/dbraw/zinc/34/76/36/556347636.db2.gz HRQXFLUPQXYDPQ-UHFFFAOYSA-N 0 1 441.896 4.992 50 0 IJAAMN O=C(Nc1cc(Cl)ccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1)c1cccs1 ZINC000012984097 556426032 /nfs/dbraw/zinc/42/60/32/556426032.db2.gz LPDAYRVBMIBUJK-SFHVURJKSA-N 0 1 443.956 4.814 50 0 IJAAMN CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)n1 ZINC000028292749 556450695 /nfs/dbraw/zinc/45/06/95/556450695.db2.gz YXPDMAIECOAVCV-IBGZPJMESA-N 0 1 433.021 4.932 50 0 IJAAMN COc1cccc(-c2cc(CC3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)on2)c1 ZINC000014971286 556467181 /nfs/dbraw/zinc/46/71/81/556467181.db2.gz VJEVBFQVGQXZHM-UHFFFAOYSA-N 0 1 446.469 4.939 50 0 IJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3Br)n2)cc1 ZINC000013128708 556478167 /nfs/dbraw/zinc/47/81/67/556478167.db2.gz QAIOTVCXYFIAOC-UHFFFAOYSA-N 0 1 431.359 4.836 50 0 IJAAMN Cc1nn(C)c(Cl)c1CN1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015063986 556491401 /nfs/dbraw/zinc/49/14/01/556491401.db2.gz YLAJOVKQMILJEP-UHFFFAOYSA-N 0 1 427.351 4.805 50 0 IJAAMN COc1cc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1 ZINC000015071862 556496775 /nfs/dbraw/zinc/49/67/75/556496775.db2.gz VZRTTXLLMQBWSE-FQEVSTJZSA-N 0 1 438.597 4.504 50 0 IJAAMN COC(=O)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000013594681 556531709 /nfs/dbraw/zinc/53/17/09/556531709.db2.gz JTJAOIDOXYXFDM-UHFFFAOYSA-N 0 1 429.520 4.730 50 0 IJAAMN COc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)no2)cc1 ZINC000015859985 556558560 /nfs/dbraw/zinc/55/85/60/556558560.db2.gz CJHKRMISPOKNCN-FQEVSTJZSA-N 0 1 425.554 4.615 50 0 IJAAMN c1ccc2c(c1)cccc2OCCN1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000054290440 556729862 /nfs/dbraw/zinc/72/98/62/556729862.db2.gz NXUQACNDVUCHBN-UHFFFAOYSA-N 0 1 444.604 4.924 50 0 IJAAMN Fc1ccc(-c2csc3ncnc(N4CCN(CCOc5ccccc5)CC4)c23)cc1 ZINC000054290413 556729889 /nfs/dbraw/zinc/72/98/89/556729889.db2.gz MITRGFQKFXLBFG-UHFFFAOYSA-N 0 1 434.540 4.698 50 0 IJAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)n[nH]1 ZINC000072331264 556730050 /nfs/dbraw/zinc/73/00/50/556730050.db2.gz OMGXBYYSIFCCMN-UHFFFAOYSA-N 0 1 432.568 4.835 50 0 IJAAMN COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)c(=O)oc2c1 ZINC000058402680 556785380 /nfs/dbraw/zinc/78/53/80/556785380.db2.gz ZDTMSIHRXCWDPM-JOCHJYFZSA-N 0 1 445.519 4.591 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002640910 556801753 /nfs/dbraw/zinc/80/17/53/556801753.db2.gz FZMJIXZUVUAARC-UHFFFAOYSA-N 0 1 432.501 4.902 50 0 IJAAMN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc3nsnc3c2)CC1 ZINC000019642049 556837882 /nfs/dbraw/zinc/83/78/82/556837882.db2.gz PORVCYQKXBRECH-UHFFFAOYSA-N 0 1 447.568 4.677 50 0 IJAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000097954818 556850696 /nfs/dbraw/zinc/85/06/96/556850696.db2.gz KGRDTHKAUXVLSN-SDHSZQHLSA-N 0 1 442.515 4.917 50 0 IJAAMN CCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cn2)cc1 ZINC000033139486 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CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)nc21 ZINC000012226840 521436874 /nfs/dbraw/zinc/43/68/74/521436874.db2.gz LFBAOERYOMTBIU-UHFFFAOYSA-N 0 1 426.567 4.513 50 0 IJAAMN CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000022804466 521629199 /nfs/dbraw/zinc/62/91/99/521629199.db2.gz HWQFOVXAPFJSQN-UHFFFAOYSA-N 0 1 447.627 4.749 50 0 IJAAMN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)cc1 ZINC000012430679 521927552 /nfs/dbraw/zinc/92/75/52/521927552.db2.gz ZLSYQRMEDGRMAJ-OAQYLSRUSA-N 0 1 434.471 4.789 50 0 IJAAMN CC[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000012779139 523083923 /nfs/dbraw/zinc/08/39/23/523083923.db2.gz IDJXHWPHOZCJBK-OAHLLOKOSA-N 0 1 435.322 4.883 50 0 IJAAMN COc1ccc(/C=C/CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000012302284 523405150 /nfs/dbraw/zinc/40/51/50/523405150.db2.gz CVCISYVXDRUMPP-AATRIKPKSA-N 0 1 434.580 4.878 50 0 IJAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000012730762 523926761 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O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1cc(Cl)cc(Cl)c1 ZINC000012631409 527255168 /nfs/dbraw/zinc/25/51/68/527255168.db2.gz BLRGRKGGADZNLT-UHFFFAOYSA-N 0 1 437.352 4.779 50 0 IJAAMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012594037 527351527 /nfs/dbraw/zinc/35/15/27/527351527.db2.gz VQPIDNGUGDUWKN-OAQYLSRUSA-N 0 1 435.936 4.618 50 0 IJAAMN CC(C)(C)c1cc(CNC(=O)c2cccc(COc3ccc(Br)cc3)c2)n[nH]1 ZINC000000653533 555524152 /nfs/dbraw/zinc/52/41/52/555524152.db2.gz USTDNYICCYSIOE-UHFFFAOYSA-N 0 1 442.357 4.979 50 0 IJAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)cc1 ZINC000001075480 555623960 /nfs/dbraw/zinc/62/39/60/555623960.db2.gz BMIIQDVGXDOGMQ-MRXNPFEDSA-N 0 1 428.941 4.940 50 0 IJAAMN CCCCCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000003170733 555893928 /nfs/dbraw/zinc/89/39/28/555893928.db2.gz NYWFUBSCPMESLB-UHFFFAOYSA-N 0 1 426.542 4.780 50 0 IJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)ccc1Br ZINC000032781201 556349359 /nfs/dbraw/zinc/34/93/59/556349359.db2.gz KPITULCMCRWFDJ-UHFFFAOYSA-N 0 1 425.729 4.636 50 0 IJAAMN CN(Cc1cc(C2CC2)[nH]n1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011935937 556378199 /nfs/dbraw/zinc/37/81/99/556378199.db2.gz XREPHZGSYVZDMX-UHFFFAOYSA-N 0 1 441.535 4.560 50 0 IJAAMN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c(OC)c1 ZINC000012049914 556392127 /nfs/dbraw/zinc/39/21/27/556392127.db2.gz HDMJGXRXDJGOQM-KRWDZBQOSA-N 0 1 448.966 4.805 50 0 IJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000014254371 556410421 /nfs/dbraw/zinc/41/04/21/556410421.db2.gz JVIXMLXWTLXSNN-HNNXBMFYSA-N 0 1 433.474 4.667 50 0 IJAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000012985770 556426484 /nfs/dbraw/zinc/42/64/84/556426484.db2.gz VGRKKCOSBVLZPD-IRXDYDNUSA-N 0 1 435.499 4.764 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)N2CCCC2)cc1 ZINC000027992415 556440477 /nfs/dbraw/zinc/44/04/77/556440477.db2.gz ILVSBAODZQUJLF-XMSQKQJNSA-N 0 1 430.976 4.686 50 0 IJAAMN Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1 ZINC000028291271 556450066 /nfs/dbraw/zinc/45/00/66/556450066.db2.gz RGZYQRCBYKWMNC-QFIPXVFZSA-N 0 1 432.564 4.966 50 0 IJAAMN O=C1CC[C@@H]2CN(C/C(Cl)=C/c3ccccc3)CC[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000014988174 556473757 /nfs/dbraw/zinc/47/37/57/556473757.db2.gz KTLLEAWXIOKEMN-HGNPKBSJSA-N 0 1 438.955 4.508 50 0 IJAAMN O=C(Cc1cn2ccccc2n1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029955847 556487213 /nfs/dbraw/zinc/48/72/13/556487213.db2.gz ZYYJNZQQLIYCIH-QFIPXVFZSA-N 0 1 449.436 4.678 50 0 IJAAMN O=C(/C=C/c1cccs1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000015067422 556493403 /nfs/dbraw/zinc/49/34/03/556493403.db2.gz PTDCFQWIJYHOPP-DGSRBQDKSA-N 0 1 442.600 4.820 50 0 IJAAMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1Cl ZINC000030531701 556497033 /nfs/dbraw/zinc/49/70/33/556497033.db2.gz PIEPSNFCAZOOSQ-MRXNPFEDSA-N 0 1 443.352 4.529 50 0 IJAAMN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(OC(C)C)c(CO)c3)C2)c1 ZINC000015080657 556501096 /nfs/dbraw/zinc/50/10/96/556501096.db2.gz IEGZOVGJSYYZCF-JOCHJYFZSA-N 0 1 425.569 4.848 50 0 IJAAMN COc1cc(OC)c(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(OC)c1 ZINC000032511586 556540477 /nfs/dbraw/zinc/54/04/77/556540477.db2.gz SJTUTRDGJYFSKZ-HNNXBMFYSA-N 0 1 443.494 4.760 50 0 IJAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146256 556594162 /nfs/dbraw/zinc/59/41/62/556594162.db2.gz RCQYMXALWDNTNU-SFTDATJTSA-N 0 1 448.966 4.508 50 0 IJAAMN COc1cccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N(C)C)c1 ZINC000032983605 556603493 /nfs/dbraw/zinc/60/34/93/556603493.db2.gz NNDTUBCMPUASKR-SFHVURJKSA-N 0 1 431.330 4.545 50 0 IJAAMN COc1cccc(NS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)c1 ZINC000046141363 556692738 /nfs/dbraw/zinc/69/27/38/556692738.db2.gz OSHRBDQHSILGRQ-UHFFFAOYSA-N 0 1 445.497 4.722 50 0 IJAAMN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071263 556851655 /nfs/dbraw/zinc/85/16/55/556851655.db2.gz MKZNNWAWRGTTKK-OAHLLOKOSA-N 0 1 433.394 4.771 50 0 IJAAMN Cc1ccccc1NC(=O)Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21 ZINC000033129340 556868347 /nfs/dbraw/zinc/86/83/47/556868347.db2.gz BKKFLUBGLZYALK-UHFFFAOYSA-N 0 1 429.524 4.624 50 0 IJAAMN CC1CCN(Cc2nnc(-c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)o2)CC1 ZINC000033129364 556868786 /nfs/dbraw/zinc/86/87/86/556868786.db2.gz UJBHLFKLKYZKJL-UHFFFAOYSA-N 0 1 447.514 4.701 50 0 IJAAMN CCOc1ccc(CN(CC)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032464 557025098 /nfs/dbraw/zinc/02/50/98/557025098.db2.gz AHOYYDDBLZMYKC-UHFFFAOYSA-N 0 1 426.586 4.620 50 0 IJAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2cnn3c2nc(C)cc3C)ccc1C ZINC000033298065 557074277 /nfs/dbraw/zinc/07/42/77/557074277.db2.gz LQVREEAADQNCJY-UHFFFAOYSA-N 0 1 436.537 4.521 50 0 IJAAMN COc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)c1 ZINC000033299321 557077726 /nfs/dbraw/zinc/07/77/26/557077726.db2.gz NXNAJARNRUERHT-UHFFFAOYSA-N 0 1 432.445 4.848 50 0 IJAAMN Cc1ccc2[nH]c(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(-c3ccccc3)c2c1 ZINC000245267432 557129634 /nfs/dbraw/zinc/12/96/34/557129634.db2.gz LRVWQASSZBQRHY-UHFFFAOYSA-N 0 1 427.420 4.688 50 0 IJAAMN CCN1CCN(c2ccccc2NC(=O)c2c(C)oc3c2c(F)c(F)c(F)c3F)CC1 ZINC000025726621 557223636 /nfs/dbraw/zinc/22/36/36/557223636.db2.gz PRZGKNUUULWVAJ-UHFFFAOYSA-N 0 1 435.421 4.692 50 0 IJAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCCCSc1ccccc1 ZINC000018083595 557235649 /nfs/dbraw/zinc/23/56/49/557235649.db2.gz RIKHYVYRTGCPMY-UHFFFAOYSA-N 0 1 441.622 4.918 50 0 IJAAMN Cc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)oc2cc(C)cc(C)c12 ZINC000027662252 557268907 /nfs/dbraw/zinc/26/89/07/557268907.db2.gz MKHYGSQYFJXRBS-NRFANRHFSA-N 0 1 439.987 4.730 50 0 IJAAMN CCC(CC)CNC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023323343 557284959 /nfs/dbraw/zinc/28/49/59/557284959.db2.gz KCCPIGALQKGTRU-UHFFFAOYSA-N 0 1 430.596 4.723 50 0 IJAAMN CCc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828739 557300125 /nfs/dbraw/zinc/30/01/25/557300125.db2.gz HKXIPKONKHCDRW-UHFFFAOYSA-N 0 1 426.451 4.772 50 0 IJAAMN Cc1[nH]c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc1Cc1ccccc1 ZINC000014095895 557302819 /nfs/dbraw/zinc/30/28/19/557302819.db2.gz VDIZZCWSDJOYFR-OAQYLSRUSA-N 0 1 449.576 4.536 50 0 IJAAMN C[C@H]1CCc2c(sc3ncnc(N4CCN(CCOc5ccc(Cl)cc5)CC4)c32)C1 ZINC000014095943 557303046 /nfs/dbraw/zinc/30/30/46/557303046.db2.gz SKOSJUKNEWHKPA-INIZCTEOSA-N 0 1 443.016 4.671 50 0 IJAAMN Cc1ccc(N(C(=O)c2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103159780 557427716 /nfs/dbraw/zinc/42/77/16/557427716.db2.gz KDVGSQOASWJZFT-JOCHJYFZSA-N 0 1 432.907 4.936 50 0 IJAAMN Cc1ccc(N(C(=O)c2ccc(Cl)cc2)C2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103159780 557427718 /nfs/dbraw/zinc/42/77/18/557427718.db2.gz KDVGSQOASWJZFT-JOCHJYFZSA-N 0 1 432.907 4.936 50 0 IJAAMN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000045974158 557556351 /nfs/dbraw/zinc/55/63/51/557556351.db2.gz QYBSCBMFRYHKQG-UHFFFAOYSA-N 0 1 433.939 4.949 50 0 IJAAMN COc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1OC ZINC000004003542 562940577 /nfs/dbraw/zinc/94/05/77/562940577.db2.gz ZHNMOWNSDLOTPL-UHFFFAOYSA-N 0 1 449.532 4.762 50 0 IJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000009640783 562974665 /nfs/dbraw/zinc/97/46/65/562974665.db2.gz UCGDYGPBAOXBAH-DEOSSOPVSA-N 0 1 440.547 4.758 50 0 IJAAMN CC(C)COC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983684 568623224 /nfs/dbraw/zinc/62/32/24/568623224.db2.gz MQIMXLXJMULQLV-NHCUHLMSSA-N 0 1 448.966 4.508 50 0 IJAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982597 568623247 /nfs/dbraw/zinc/62/32/47/568623247.db2.gz MLEVLGRWPSSWIR-FCHUYYIVSA-N 0 1 448.966 4.650 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983021 568623900 /nfs/dbraw/zinc/62/39/00/568623900.db2.gz JGCGLNCYQQGSIF-FGZHOGPDSA-N 0 1 448.966 4.650 50 0 IJAAMN COc1ccc(S(=O)(=O)Nc2c3ncn(Cc4cccc(C)c4)c3cc(C)c2C)cc1 ZINC000001388530 568784813 /nfs/dbraw/zinc/78/48/13/568784813.db2.gz WDEGUCRRBWWCIV-UHFFFAOYSA-N 0 1 435.549 4.819 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000006146582 568846079 /nfs/dbraw/zinc/84/60/79/568846079.db2.gz JJNSGXPTCVQOKY-UHFFFAOYSA-N 0 1 438.549 4.982 50 0 IJAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006147156 568846229 /nfs/dbraw/zinc/84/62/29/568846229.db2.gz SMTAAWSFWQIPFX-UHFFFAOYSA-N 0 1 431.311 4.502 50 0 IJAAMN Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@H]3[C@@H]2c2ccco2)cc1 ZINC000238923544 568910294 /nfs/dbraw/zinc/91/02/94/568910294.db2.gz OSIPTGSIYCIGGH-UFYCRDLUSA-N 0 1 442.393 4.658 50 0 IJAAMN CCc1nc(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000252458440 568922876 /nfs/dbraw/zinc/92/28/76/568922876.db2.gz IFQZOLHYACMRGU-UHFFFAOYSA-N 0 1 433.459 4.545 50 0 IJAAMN CCc1n[nH]c(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)n1 ZINC000252458440 568922879 /nfs/dbraw/zinc/92/28/79/568922879.db2.gz IFQZOLHYACMRGU-UHFFFAOYSA-N 0 1 433.459 4.545 50 0 IJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000089466086 568925892 /nfs/dbraw/zinc/92/58/92/568925892.db2.gz BQNIGFOFASXRNF-QGZVFWFLSA-N 0 1 431.945 4.984 50 0 IJAAMN COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000016689801 568938295 /nfs/dbraw/zinc/93/82/95/568938295.db2.gz XWRVZWIVFZCVJE-KHYOSLBOSA-N 0 1 438.553 4.832 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146025 568962157 /nfs/dbraw/zinc/96/21/57/568962157.db2.gz MLEVLGRWPSSWIR-YADHBBJMSA-N 0 1 448.966 4.650 50 0 IJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCC ZINC000036304876 568994778 /nfs/dbraw/zinc/99/47/78/568994778.db2.gz CIDVVVLVOPKGBZ-QHCPKHFHSA-N 0 1 437.584 4.891 50 0 IJAAMN CCCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036340470 569078690 /nfs/dbraw/zinc/07/86/90/569078690.db2.gz 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IJAAMN CCN1CCN(c2ccccc2NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)CC1 ZINC000027060950 568940584 /nfs/dbraw/zinc/94/05/84/568940584.db2.gz COVDZWIWJHQAIX-UHFFFAOYSA-N 0 1 435.597 4.580 50 0 IJAAMN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000064979463 569077846 /nfs/dbraw/zinc/07/78/46/569077846.db2.gz RSQIORDSNMXBLC-UHFFFAOYSA-N 0 1 437.315 4.530 50 0 IJAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2oc1C(=O)N1CCCCC1 ZINC000065010613 569088330 /nfs/dbraw/zinc/08/83/30/569088330.db2.gz CLPYYOHSBXJIHX-UHFFFAOYSA-N 0 1 444.528 4.924 50 0 IJAAMN O=C(Nc1cccc(F)c1)N1CCC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265715 569127065 /nfs/dbraw/zinc/12/70/65/569127065.db2.gz SPOFCOSDSNOOMK-RUZDIDTESA-N 0 1 444.514 4.533 50 0 biogenic IJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)c1C ZINC000001062939 569176622 /nfs/dbraw/zinc/17/66/22/569176622.db2.gz UPFCNIZVWWYRCT-UHFFFAOYSA-N 0 1 442.968 4.730 50 0 IJAAMN O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(F)cc1 ZINC000002317653 569272440 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CCc1ccc(NC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)N3)CCCC2)cc1 ZINC000015826967 568840917 /nfs/dbraw/zinc/84/09/17/568840917.db2.gz NJQDUYSUSWHBTP-UHFFFAOYSA-N 0 1 425.554 4.550 50 0 IJAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000006146778 568846209 /nfs/dbraw/zinc/84/62/09/568846209.db2.gz UKEANKLPKLCZBQ-UHFFFAOYSA-N 0 1 445.338 4.811 50 0 IJAAMN CC1(C)C[C@@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000018122919 568929702 /nfs/dbraw/zinc/92/97/02/568929702.db2.gz UFYFORFRKLSCCV-HHHXNRCGSA-N 0 1 447.623 4.976 50 0 biogenic IJAAMN CSc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064557861 568931971 /nfs/dbraw/zinc/93/19/71/568931971.db2.gz HWFVNBOTKOIDMO-FQEVSTJZSA-N 0 1 437.542 4.740 50 0 IJAAMN C[C@@H]1C[C@H](C)C[N@@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000016689792 568938241 /nfs/dbraw/zinc/93/82/41/568938241.db2.gz UGBMOBXBDYNTMY-IYOUNJFTSA-N 0 1 426.517 4.963 50 0 IJAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC)C(C)C 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CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845249 569478724 /nfs/dbraw/zinc/47/87/24/569478724.db2.gz XKOJUBFHVLTKPJ-DEOSSOPVSA-N 0 1 429.476 4.828 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000008956189 569490252 /nfs/dbraw/zinc/49/02/52/569490252.db2.gz NIIZBVVLXSYJNX-UHFFFAOYSA-N 0 1 441.509 4.797 50 0 IJAAMN Cc1ccc(C2=NN(C(=O)CSc3nc(-c4cccs4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009056831 569499174 /nfs/dbraw/zinc/49/91/74/569499174.db2.gz IRNMSRHFUYRLPD-QGZVFWFLSA-N 0 1 449.561 4.905 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@@H]2c2ccccc2)cc1 ZINC000009124138 569504260 /nfs/dbraw/zinc/50/42/60/569504260.db2.gz NWJSPVDMIRWQLK-VWLOTQADSA-N 0 1 443.478 4.718 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccccc2F)cc1 ZINC000009124686 569504423 /nfs/dbraw/zinc/50/44/23/569504423.db2.gz CMPNJKZDJBYOBY-VWLOTQADSA-N 0 1 443.478 4.718 50 0 IJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009243697 569514919 /nfs/dbraw/zinc/51/49/19/569514919.db2.gz OIOHDCTUDLBBJY-DEOSSOPVSA-N 0 1 440.503 4.548 50 0 IJAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000009409120 569530955 /nfs/dbraw/zinc/53/09/55/569530955.db2.gz MRMCHFNYEXYBPS-VWLOTQADSA-N 0 1 449.551 4.931 50 0 IJAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(Br)s3)sc2c(C)c1 ZINC000009604141 569551855 /nfs/dbraw/zinc/55/18/55/569551855.db2.gz KFVZJWFOTBRRBR-UHFFFAOYSA-N 0 1 438.416 4.946 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1cccs1 ZINC000009608572 569552166 /nfs/dbraw/zinc/55/21/66/569552166.db2.gz TZIXGMKXRSBCAH-GOSISDBHSA-N 0 1 426.567 4.792 50 0 IJAAMN COc1ccc(C(NC(=O)CN2CCC[C@H]2c2cccs2)c2ccc(OC)cc2)cc1 ZINC000009713061 569562446 /nfs/dbraw/zinc/56/24/46/569562446.db2.gz MPVATQRJFDVSDM-QFIPXVFZSA-N 0 1 436.577 4.808 50 0 IJAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778672 569567244 /nfs/dbraw/zinc/56/72/44/569567244.db2.gz YOKYVPSSSOWUNR-LEWJYISDSA-N 0 1 434.854 4.540 50 0 IJAAMN COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)[nH]c2c1 ZINC000009885270 569572825 /nfs/dbraw/zinc/57/28/25/569572825.db2.gz VAHCIYAJQMZZDV-UHFFFAOYSA-N 0 1 432.505 4.555 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3C)nn2[C@H]1c1ccccc1F ZINC000009942602 569574026 /nfs/dbraw/zinc/57/40/26/569574026.db2.gz BARCCBZMZNRVGM-FQEVSTJZSA-N 0 1 438.528 4.870 50 0 IJAAMN COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccc(Br)cc3)n2)cc1 ZINC000009951383 569574513 /nfs/dbraw/zinc/57/45/13/569574513.db2.gz VRDVDNCEOXTZBO-ZDUSSCGKSA-N 0 1 446.370 4.871 50 0 IJAAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000010224899 569579233 /nfs/dbraw/zinc/57/92/33/569579233.db2.gz XYPVZJGGCJXXJL-IBGZPJMESA-N 0 1 443.547 4.737 50 0 IJAAMN CCOC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044126933 569588123 /nfs/dbraw/zinc/58/81/23/569588123.db2.gz RVGPWBNAYPILDY-MRXNPFEDSA-N 0 1 436.689 4.566 50 0 IJAAMN CCOC(=O)C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044126933 569588124 /nfs/dbraw/zinc/58/81/24/569588124.db2.gz RVGPWBNAYPILDY-MRXNPFEDSA-N 0 1 436.689 4.566 50 0 IJAAMN CN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000003284670 132263050 /nfs/dbraw/zinc/26/30/50/132263050.db2.gz DGVMBEPXKXTXLA-UHFFFAOYSA-N 0 1 431.030 4.878 50 0 IJAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000009119639 132304776 /nfs/dbraw/zinc/30/47/76/132304776.db2.gz UDZGIEFDNMQOLM-UHFFFAOYSA-N 0 1 442.774 4.806 50 0 IJAAMN CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(C(C)C)cc1 ZINC000012154414 519714955 /nfs/dbraw/zinc/71/49/55/519714955.db2.gz MFRCGQRUJQCISI-OFNKIYASSA-N 0 1 436.625 4.946 50 0 IJAAMN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cc(C(C)C)[nH]n2)CC1 ZINC000012305547 520465397 /nfs/dbraw/zinc/46/53/97/520465397.db2.gz LYDTZDSTNFCNMK-UHFFFAOYSA-N 0 1 437.506 4.940 50 0 IJAAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 ZINC000012579771 520465832 /nfs/dbraw/zinc/46/58/32/520465832.db2.gz NUPXSOZMXIKNIN-UHFFFAOYSA-N 0 1 445.563 4.540 50 0 IJAAMN CC1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2C)CC1 ZINC000020893174 521024333 /nfs/dbraw/zinc/02/43/33/521024333.db2.gz CXHDHLPUKZHEMF-UHFFFAOYSA-N 0 1 441.373 4.820 50 0 IJAAMN CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(C)n1 ZINC000012386338 523367810 /nfs/dbraw/zinc/36/78/10/523367810.db2.gz KDXXZHBZHFASCN-UHFFFAOYSA-N 0 1 436.531 4.994 50 0 IJAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(Br)cc2)c1 ZINC000035170897 524061695 /nfs/dbraw/zinc/06/16/95/524061695.db2.gz VHAQSFWFXQBCPF-SFHVURJKSA-N 0 1 438.325 4.814 50 0 IJAAMN COc1cccc2sc(N(CCN(C)C)C(=O)CSc3ccc(Cl)cc3)nc21 ZINC000012342179 524261626 /nfs/dbraw/zinc/26/16/26/524261626.db2.gz LJYMFNJDSBJCBI-UHFFFAOYSA-N 0 1 436.002 4.645 50 0 IJAAMN COc1ccccc1[C@H](CNC(=O)Cc1csc(-c2ccc(C)cc2C)n1)N1CCCC1 ZINC000012767285 524789641 /nfs/dbraw/zinc/78/96/41/524789641.db2.gz NUNGJYARUYQINM-QHCPKHFHSA-N 0 1 449.620 4.931 50 0 IJAAMN Cc1[nH]c(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)nc1Cc1ccccc1 ZINC000012549844 525413488 /nfs/dbraw/zinc/41/34/88/525413488.db2.gz SFLQECDSGYWGSH-UHFFFAOYSA-N 0 1 446.576 4.948 50 0 IJAAMN Cc1[nH]c(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)nc1Cc1ccccc1 ZINC000012559443 525413789 /nfs/dbraw/zinc/41/37/89/525413789.db2.gz WGLFQENUWJCMBR-OAQYLSRUSA-N 0 1 437.540 4.762 50 0 IJAAMN COc1ccc2nc(SCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)[nH]c2c1 ZINC000012540046 525678625 /nfs/dbraw/zinc/67/86/25/525678625.db2.gz SLZDJEUTATYFOY-CQSZACIVSA-N 0 1 438.578 4.680 50 0 IJAAMN COc1cccc(-c2cc(CC3(O)CCN(Cc4[nH]c5ccccc5c4C)CC3)on2)c1 ZINC000012386793 525704883 /nfs/dbraw/zinc/70/48/83/525704883.db2.gz KOWGHZXBQOQARX-UHFFFAOYSA-N 0 1 431.536 4.710 50 0 IJAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccc4c3OCO4)CC2)c1 ZINC000012579369 525715424 /nfs/dbraw/zinc/71/54/24/525715424.db2.gz BGDDFDCOHDKZOB-UHFFFAOYSA-N 0 1 444.531 4.942 50 0 IJAAMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(Cl)cccc1Cl ZINC000012882940 526487071 /nfs/dbraw/zinc/48/70/71/526487071.db2.gz AECCJGFJOOPZMO-UHFFFAOYSA-N 0 1 447.288 4.558 50 0 IJAAMN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000022680977 526610574 /nfs/dbraw/zinc/61/05/74/526610574.db2.gz MMVVEZBDISPAPM-SFHVURJKSA-N 0 1 426.611 4.778 50 0 IJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccccc2F)cc1 ZINC000001427939 555696266 /nfs/dbraw/zinc/69/62/66/555696266.db2.gz ZUTDYBMLPFJXFQ-JOCHJYFZSA-N 0 1 431.423 4.735 50 0 IJAAMN O=C(Nc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc1)c1ccccc1F ZINC000034681721 555815260 /nfs/dbraw/zinc/81/52/60/555815260.db2.gz CKJUJJNYUNEUNP-UHFFFAOYSA-N 0 1 438.934 4.839 50 0 IJAAMN CC(C)(C)NC(=O)Nc1ccc(N2CCCN(Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000034682092 555816011 /nfs/dbraw/zinc/81/60/11/555816011.db2.gz VHDNUNPIOKSHML-UHFFFAOYSA-N 0 1 449.521 4.733 50 0 IJAAMN COc1ccc(OC)c(CN2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)c1 ZINC000034682609 555816779 /nfs/dbraw/zinc/81/67/79/555816779.db2.gz HSNVYDBAQRVEKY-UHFFFAOYSA-N 0 1 428.548 4.887 50 0 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Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000014166056 556379776 /nfs/dbraw/zinc/37/97/76/556379776.db2.gz ZFXQTHPLZDPNAI-KRWDZBQOSA-N 0 1 449.605 4.888 50 0 IJAAMN Cc1ccsc1C(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012025664 556387817 /nfs/dbraw/zinc/38/78/17/556387817.db2.gz RDKVUINHKDNMRM-OAQYLSRUSA-N 0 1 430.589 4.729 50 0 IJAAMN COc1ccccc1CCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000012055982 556394239 /nfs/dbraw/zinc/39/42/39/556394239.db2.gz PSMWLDKRHLSLKV-GOSISDBHSA-N 0 1 425.479 4.702 50 0 IJAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000028287489 556447937 /nfs/dbraw/zinc/44/79/37/556447937.db2.gz JZBZZVCICDRLKI-JOCHJYFZSA-N 0 1 439.987 4.730 50 0 IJAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(SC)cc3)CC2)c1 ZINC000014975617 556468366 /nfs/dbraw/zinc/46/83/66/556468366.db2.gz SZHKBNMVSLSNLR-UHFFFAOYSA-N 0 1 440.609 4.697 50 0 IJAAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013138052 556485030 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50 0 IJAAMN CCN(CC)C(=O)[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 ZINC000009910250 569150465 /nfs/dbraw/zinc/15/04/65/569150465.db2.gz CYROGPKMPVAZQP-QGZVFWFLSA-N 0 1 445.386 4.936 50 0 IJAAMN COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C[C@](C)(O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000251196670 569158247 /nfs/dbraw/zinc/15/82/47/569158247.db2.gz UJJOORZOZZWAAY-NXNJFABFSA-N 0 1 442.511 4.501 50 0 IJAAMN O=C(COc1ccccc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000002237150 569212377 /nfs/dbraw/zinc/21/23/77/569212377.db2.gz LQKMCMVBGUJTJK-UHFFFAOYSA-N 0 1 439.265 4.980 50 0 IJAAMN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000013042044 569308296 /nfs/dbraw/zinc/30/82/96/569308296.db2.gz NHFMOWCRRFAZGQ-UHFFFAOYSA-N 0 1 443.365 4.550 50 0 IJAAMN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013353512 569313327 /nfs/dbraw/zinc/31/33/27/569313327.db2.gz MPRMKWSIWYJWLY-ROKPMTFOSA-N 0 1 427.633 4.744 50 0 IJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCCCCCC4)c3=O)c2c1 ZINC000020330606 569360740 /nfs/dbraw/zinc/36/07/40/569360740.db2.gz XEEXJUHVTSDUKY-UHFFFAOYSA-N 0 1 442.585 4.558 50 0 IJAAMN O=C(c1cccs1)N1CCCN(CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000095454776 569368370 /nfs/dbraw/zinc/36/83/70/569368370.db2.gz UWFLDDNXEFLKME-UHFFFAOYSA-N 0 1 432.014 4.890 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1ccc(F)cc1F)CC(=O)O2 ZINC000096116059 569383528 /nfs/dbraw/zinc/38/35/28/569383528.db2.gz BLHOCPCSVSHPNF-HNNXBMFYSA-N 0 1 436.366 4.590 50 0 biogenic IJAAMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000057315255 569430883 /nfs/dbraw/zinc/43/08/83/569430883.db2.gz RFRKYEDMVDEWKB-OAHLLOKOSA-N 0 1 439.462 4.515 50 0 IJAAMN O=C(NCc1ccccc1Cl)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002971030 569433434 /nfs/dbraw/zinc/43/34/34/569433434.db2.gz VJKYVYQPLJMZOW-UHFFFAOYSA-N 0 1 441.984 4.835 50 0 IJAAMN COc1ccc([C@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCCCC2)cc1 ZINC000008343631 569462625 /nfs/dbraw/zinc/46/26/25/569462625.db2.gz NALJIJJIKAZVCT-SANMLTNESA-N 0 1 431.580 4.746 50 0 IJAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccco3)C[C@@H]21 ZINC000008717750 569471124 /nfs/dbraw/zinc/47/11/24/569471124.db2.gz HVOFPZOJNATGBB-QFIPXVFZSA-N 0 1 429.520 4.824 50 0 IJAAMN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccccc3Cl)ccc1O2 ZINC000008961457 569491117 /nfs/dbraw/zinc/49/11/17/569491117.db2.gz CTCPNUGLUFNZDE-UHFFFAOYSA-N 0 1 428.897 4.832 50 0 IJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2ccccc2)C3=O)c1 ZINC000009124113 569504310 /nfs/dbraw/zinc/50/43/10/569504310.db2.gz CQMOGGNNCDXFLA-XMMPIXPASA-N 0 1 425.488 4.850 50 0 IJAAMN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000040478301 569506716 /nfs/dbraw/zinc/50/67/16/569506716.db2.gz OOYFXLVDJZRBOF-UHFFFAOYSA-N 0 1 426.192 4.990 50 0 IJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009243696 569514958 /nfs/dbraw/zinc/51/49/58/569514958.db2.gz OIOHDCTUDLBBJY-XMMPIXPASA-N 0 1 440.503 4.548 50 0 IJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000009409104 569530951 /nfs/dbraw/zinc/53/09/51/569530951.db2.gz YHZYAYJEHSNMHW-DEOSSOPVSA-N 0 1 435.524 4.541 50 0 IJAAMN COCCCNC(=O)CSc1[nH]c(-c2ccc(C)cc2)nc1-c1ccc(Cl)cc1 ZINC000009674167 569559144 /nfs/dbraw/zinc/55/91/44/569559144.db2.gz JARKTSSAKIAYDH-UHFFFAOYSA-N 0 1 429.973 4.950 50 0 IJAAMN Cc1cc(=O)oc2cc(OCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc12 ZINC000000628464 132228171 /nfs/dbraw/zinc/22/81/71/132228171.db2.gz AHXKBIYCIQUEAQ-UHFFFAOYSA-N 0 1 433.335 4.609 50 0 IJAAMN CN1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000003016081 132260410 /nfs/dbraw/zinc/26/04/10/132260410.db2.gz MBOZWLOZLGQXTI-UHFFFAOYSA-N 0 1 430.339 4.689 50 0 IJAAMN CC[NH+](CC)[C@@H](CNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S)c1ccccc1 ZINC000022752427 520832721 /nfs/dbraw/zinc/83/27/21/520832721.db2.gz RFLJUEWXUMQSTK-NRFANRHFSA-N 0 1 437.613 4.506 50 0 IJAAMN CCOC(=O)c1cccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000020889845 521540555 /nfs/dbraw/zinc/54/05/55/521540555.db2.gz QGIGKUWZGWTTIU-UHFFFAOYSA-N 0 1 429.948 4.550 50 0 IJAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000020678189 521629226 /nfs/dbraw/zinc/62/92/26/521629226.db2.gz SMDFUCNEYFIHRS-UHFFFAOYSA-N 0 1 447.627 4.744 50 0 IJAAMN CC[C@@H](C)N(CCNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)Cc1cccs1 ZINC000020580785 522089224 /nfs/dbraw/zinc/08/92/24/522089224.db2.gz JFHCYSKFEBTYRZ-GOSISDBHSA-N 0 1 447.626 4.599 50 0 IJAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl ZINC000020719567 522276569 /nfs/dbraw/zinc/27/65/69/522276569.db2.gz BJIHKOOOSACTBT-LJQANCHMSA-N 0 1 445.306 4.683 50 0 IJAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1Cl ZINC000021033482 522814821 /nfs/dbraw/zinc/81/48/21/522814821.db2.gz CMRONQFYJHFLEH-UHFFFAOYSA-N 0 1 434.901 4.690 50 0 IJAAMN CCc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)ccc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990530 523845868 /nfs/dbraw/zinc/84/58/68/523845868.db2.gz PGDIPPVIALMGAS-UHFFFAOYSA-N 0 1 432.929 4.712 50 0 IJAAMN COc1ccc(CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C2CC2)cc1 ZINC000021840562 523990688 /nfs/dbraw/zinc/99/06/88/523990688.db2.gz UFCVYYCPIXQJSO-UHFFFAOYSA-N 0 1 426.314 4.653 50 0 IJAAMN CN(C)CCN(C(=O)CCc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012140808 524059101 /nfs/dbraw/zinc/05/91/01/524059101.db2.gz HBONXKPBCXDUHX-UHFFFAOYSA-N 0 1 432.387 4.586 50 0 IJAAMN COc1cccc([C@H](CNC(=O)CCCSc2nc3ccccc3s2)N(C)C)c1 ZINC000012770846 524159769 /nfs/dbraw/zinc/15/97/69/524159769.db2.gz WBEMSDOGFJZAAW-IBGZPJMESA-N 0 1 429.611 4.596 50 0 IJAAMN Cc1ccc(NC(=O)Cc2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 ZINC000012748629 525097880 /nfs/dbraw/zinc/09/78/80/525097880.db2.gz XRGDPFLONNJXOW-UHFFFAOYSA-N 0 1 427.580 4.772 50 0 IJAAMN O[C@H](COc1ccc(Br)cc1)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012771396 526287725 /nfs/dbraw/zinc/28/77/25/526287725.db2.gz ICEBFHLIAHJSLW-MAUKXSAKSA-N 0 1 433.371 4.636 50 0 IJAAMN S=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2n1CCCCC2 ZINC000022917991 526388456 /nfs/dbraw/zinc/38/84/56/526388456.db2.gz YHSAPXNAKXQBDK-UHFFFAOYSA-N 0 1 433.625 4.505 50 0 IJAAMN O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035869950 526735872 /nfs/dbraw/zinc/73/58/72/526735872.db2.gz XGUUEOUGZUVNIB-AOYPEHQESA-N 0 1 445.994 4.520 50 0 IJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000022037537 526767683 /nfs/dbraw/zinc/76/76/83/526767683.db2.gz SUBXGHCZFFSPNP-UHFFFAOYSA-N 0 1 425.576 4.521 50 0 IJAAMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012594033 527351443 /nfs/dbraw/zinc/35/14/43/527351443.db2.gz VQPIDNGUGDUWKN-NRFANRHFSA-N 0 1 435.936 4.618 50 0 IJAAMN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071265 527521161 /nfs/dbraw/zinc/52/11/61/527521161.db2.gz MKZNNWAWRGTTKK-HNNXBMFYSA-N 0 1 433.394 4.771 50 0 IJAAMN O=C(c1ccco1)N(c1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000956446 555590272 /nfs/dbraw/zinc/59/02/72/555590272.db2.gz AKCCITROBHTZLQ-QGZVFWFLSA-N 0 1 429.259 4.565 50 0 IJAAMN O=C(c1ccco1)N(c1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000956446 555590277 /nfs/dbraw/zinc/59/02/77/555590277.db2.gz AKCCITROBHTZLQ-QGZVFWFLSA-N 0 1 429.259 4.565 50 0 IJAAMN O=S(=O)(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl ZINC000001028126 555605015 /nfs/dbraw/zinc/60/50/15/555605015.db2.gz DVJUQKRYJNVGHN-UHFFFAOYSA-N 0 1 436.242 4.999 50 0 IJAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c3ccccc32)cc1 ZINC000001050105 555612631 /nfs/dbraw/zinc/61/26/31/555612631.db2.gz YOQBYQAUNLBSEQ-UHFFFAOYSA-N 0 1 434.311 4.580 50 0 IJAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Cl)cc1 ZINC000001075478 555623869 /nfs/dbraw/zinc/62/38/69/555623869.db2.gz BMIIQDVGXDOGMQ-INIZCTEOSA-N 0 1 428.941 4.940 50 0 IJAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)c(C)c1 ZINC000001110812 555631387 /nfs/dbraw/zinc/63/13/87/555631387.db2.gz QVCVIDDOJSCYHS-UHFFFAOYSA-N 0 1 442.968 4.730 50 0 IJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)c1 ZINC000001128082 555642503 /nfs/dbraw/zinc/64/25/03/555642503.db2.gz LKOAHRMYENGFMC-MRXNPFEDSA-N 0 1 428.941 4.940 50 0 IJAAMN CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000002886503 555858331 /nfs/dbraw/zinc/85/83/31/555858331.db2.gz BBJKDGGBTPIEFK-UHFFFAOYSA-N 0 1 442.924 4.904 50 0 IJAAMN CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N2CCCCC2)[C@@H]1OC(=O)c1ccccc1 ZINC000003147093 555891993 /nfs/dbraw/zinc/89/19/93/555891993.db2.gz ANSUFJPIOTXFKW-VWNXMTODSA-N 0 1 433.504 4.717 50 0 IJAAMN COc1ccccc1NC(=N)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000009009720 556240534 /nfs/dbraw/zinc/24/05/34/556240534.db2.gz RAGSFLFWRDMTQY-UHFFFAOYSA-N 0 1 438.538 4.552 50 0 aggregator IJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1Br ZINC000032781193 556349306 /nfs/dbraw/zinc/34/93/06/556349306.db2.gz GCFCVXQFMSEJKC-UHFFFAOYSA-N 0 1 425.729 4.636 50 0 IJAAMN COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)c1 ZINC000011818243 556360493 /nfs/dbraw/zinc/36/04/93/556360493.db2.gz XJUAULLZERSMRP-UHFFFAOYSA-N 0 1 437.519 4.820 50 0 IJAAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4c(cccc4NC(C)=O)n3)C2)c(C)c1 ZINC000011842394 556365823 /nfs/dbraw/zinc/36/58/23/556365823.db2.gz DFZYRPKSKLZHHQ-LJQANCHMSA-N 0 1 431.536 4.605 50 0 IJAAMN CCc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012054610 556393588 /nfs/dbraw/zinc/39/35/88/556393588.db2.gz FUAGNFNQZFYFBX-OAQYLSRUSA-N 0 1 430.552 4.565 50 0 IJAAMN Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000014235533 556399056 /nfs/dbraw/zinc/39/90/56/556399056.db2.gz PTUNARJKTOXPLK-UHFFFAOYSA-N 0 1 428.897 4.736 50 0 IJAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000014241169 556401533 /nfs/dbraw/zinc/40/15/33/556401533.db2.gz LUYCBXOIIVIUSW-NXEWRWPSSA-N 0 1 434.671 4.925 50 0 IJAAMN CC(C)(C)c1nc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2[nH]1 ZINC000032826900 556411128 /nfs/dbraw/zinc/41/11/28/556411128.db2.gz MOSXBNOADPVZED-UHFFFAOYSA-N 0 1 425.489 4.780 50 0 IJAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C[C@@H](C)O1 ZINC000032665573 556417122 /nfs/dbraw/zinc/41/71/22/556417122.db2.gz QNSHPODDWILZKK-NHCUHLMSSA-N 0 1 447.579 4.590 50 0 IJAAMN CCCCc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)[nH]1 ZINC000015065558 556492496 /nfs/dbraw/zinc/49/24/96/556492496.db2.gz XGZNLNGDEFQOJQ-QHCPKHFHSA-N 0 1 433.556 4.933 50 0 IJAAMN CC(=O)N1CCc2cc(NC(=O)CSc3nc4cc(Cl)cc(Cl)c4[nH]3)ccc21 ZINC000032724105 556547998 /nfs/dbraw/zinc/54/79/98/556547998.db2.gz KACKJACTUCIRCR-UHFFFAOYSA-N 0 1 435.336 4.510 50 0 IJAAMN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000016474179 556609953 /nfs/dbraw/zinc/60/99/53/556609953.db2.gz HMAGVERXUPTUNX-UHFFFAOYSA-N 0 1 449.319 4.513 50 0 IJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000016753282 556638532 /nfs/dbraw/zinc/63/85/32/556638532.db2.gz YJYDBNMPKNIQRF-YEJXKQKISA-N 0 1 444.318 4.813 50 0 IJAAMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000016780419 556641311 /nfs/dbraw/zinc/64/13/11/556641311.db2.gz OVSUCPTWZNLXQR-UHFFFAOYSA-N 0 1 427.913 4.773 50 0 IJAAMN Cc1[nH]c(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)nc1Cc1ccccc1 ZINC000016833509 556645219 /nfs/dbraw/zinc/64/52/19/556645219.db2.gz SRDFOYHKNCHOFN-MRXNPFEDSA-N 0 1 434.565 4.553 50 0 IJAAMN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)cc1 ZINC000033071614 556852001 /nfs/dbraw/zinc/85/20/01/556852001.db2.gz IYPCMOHGAZZBTP-MRXNPFEDSA-N 0 1 428.989 4.514 50 0 IJAAMN CCOc1ccc(C[N@H+](Cc2cc(=O)n3[n-]c(-c4ccccc4)cc3n2)CC(C)C)cc1 ZINC000033126307 556867052 /nfs/dbraw/zinc/86/70/52/556867052.db2.gz QSSRZWSGOOBPOU-UHFFFAOYSA-N 0 1 430.552 4.747 50 0 IJAAMN Fc1ccc2c(c1)Sc1ccc(Cl)cc1C[C@@H]2N1CCN(CCC2OCCO2)CC1 ZINC000019801732 556917856 /nfs/dbraw/zinc/91/78/56/556917856.db2.gz REVHAZQWZXMKQE-FQEVSTJZSA-N 0 1 448.991 4.608 50 0 IJAAMN Cc1ccc(-n2c3nc(SCCOc4ccccc4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948574 557056534 /nfs/dbraw/zinc/05/65/34/557056534.db2.gz HHNFUCDCNAXRNG-UHFFFAOYSA-N 0 1 427.576 4.984 50 0 IJAAMN CCCOc1ccccc1NC(=O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023055100 557060485 /nfs/dbraw/zinc/06/04/85/557060485.db2.gz HJWCJRKZVGJOEC-UHFFFAOYSA-N 0 1 449.517 4.641 50 0 IJAAMN O=C(c1nc2sccn2c1CN1CC[C@H](c2ccc(F)cc2)C1)N1CCCCCCC1 ZINC000023340172 557086034 /nfs/dbraw/zinc/08/60/34/557086034.db2.gz YQBUVQXLLUXCKT-IBGZPJMESA-N 0 1 440.588 4.931 50 0 IJAAMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000011323411 557089145 /nfs/dbraw/zinc/08/91/45/557089145.db2.gz WGBCPWGUNXBGRR-GFCCVEGCSA-N 0 1 449.349 4.685 50 0 IJAAMN CSc1ccc(CN(C)C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000017972558 557135927 /nfs/dbraw/zinc/13/59/27/557135927.db2.gz OEENFPWSMKWJFM-UHFFFAOYSA-N 0 1 441.622 5.000 50 0 IJAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1Cc2ccccc2O1 ZINC000026130181 557235848 /nfs/dbraw/zinc/23/58/48/557235848.db2.gz ILABQJDLNMZUSS-NHCUHLMSSA-N 0 1 437.421 4.791 50 0 IJAAMN O=C(c1ccco1)N(c1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000101139506 557283624 /nfs/dbraw/zinc/28/36/24/557283624.db2.gz AKCCITROBHTZLQ-KRWDZBQOSA-N 0 1 429.259 4.565 50 0 IJAAMN O=C(c1ccco1)N(c1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000101139506 557283628 /nfs/dbraw/zinc/28/36/28/557283628.db2.gz AKCCITROBHTZLQ-KRWDZBQOSA-N 0 1 429.259 4.565 50 0 IJAAMN Cc1cc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)ccc1F ZINC000101828715 557300102 /nfs/dbraw/zinc/30/01/02/557300102.db2.gz HEDBNBFRBOJRBW-UHFFFAOYSA-N 0 1 430.414 4.658 50 0 IJAAMN CCCCCCOc1ccc(N2C(=O)C[C@@H](c3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000103026531 557312091 /nfs/dbraw/zinc/31/20/91/557312091.db2.gz JWGWUDHKKJKWQQ-QFIPXVFZSA-N 0 1 447.535 4.893 50 0 IJAAMN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc5c(c4)OCCO5)[nH]n3)cc2)c1 ZINC000023448417 557356018 /nfs/dbraw/zinc/35/60/18/557356018.db2.gz LRBXONGHCXHXDB-UHFFFAOYSA-N 0 1 425.488 4.753 50 0 IJAAMN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)cc1 ZINC000023441049 557357942 /nfs/dbraw/zinc/35/79/42/557357942.db2.gz XAQJBQWEYFJESG-UHFFFAOYSA-N 0 1 427.504 4.733 50 0 IJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102707319 557367308 /nfs/dbraw/zinc/36/73/08/557367308.db2.gz UXQUZXKOZPXCFG-DNVJHFABSA-N 0 1 448.906 4.708 50 0 IJAAMN O=c1c2c[nH]nc2nc(SCc2cccc(Br)c2)n1-c1ccc(Cl)cc1 ZINC000008583187 562949760 /nfs/dbraw/zinc/94/97/60/562949760.db2.gz VZJMJRVXQWCYEX-UHFFFAOYSA-N 0 1 447.745 4.817 50 0 IJAAMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009645498 562974744 /nfs/dbraw/zinc/97/47/44/562974744.db2.gz UXYGMFTYLAESNQ-QAPCUYQASA-N 0 1 444.906 4.664 50 0 IJAAMN Cc1c(-c2n[nH]c(=S)n2-c2ccc(Br)cc2)nnn1-c1ccc(Cl)cc1 ZINC000013111172 562984516 /nfs/dbraw/zinc/98/45/16/562984516.db2.gz XYWAJEPWZZNSSR-UHFFFAOYSA-N 0 1 447.749 4.902 50 0 IJAAMN CC(C)N(C)c1onc(-c2ccccc2)c1CN(C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000104999037 568623932 /nfs/dbraw/zinc/62/39/32/568623932.db2.gz BGMDQBIYLHDCQN-XMMPIXPASA-N 0 1 449.595 4.728 50 0 IJAAMN Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C[C@@](C)(O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000244816829 568912881 /nfs/dbraw/zinc/91/28/81/568912881.db2.gz SPFVZACNGAUKRH-PAHOUZJPSA-N 0 1 426.512 4.801 50 0 IJAAMN O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000064557761 568931960 /nfs/dbraw/zinc/93/19/60/568931960.db2.gz UIJGWCMGVGWDRV-LJQANCHMSA-N 0 1 425.893 4.671 50 0 IJAAMN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)c(C)c1 ZINC000002053613 568940980 /nfs/dbraw/zinc/94/09/80/568940980.db2.gz UIVLHAWCSWOIDO-UHFFFAOYSA-N 0 1 431.517 4.905 50 0 IJAAMN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COCC(C)C)C2)cc1 ZINC000036146059 568962170 /nfs/dbraw/zinc/96/21/70/568962170.db2.gz DONDXBBHMBSSHU-ZEQRLZLVSA-N 0 1 445.003 4.677 50 0 IJAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146355 568962502 /nfs/dbraw/zinc/96/25/02/568962502.db2.gz MQIMXLXJMULQLV-SFTDATJTSA-N 0 1 448.966 4.508 50 0 IJAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(Cl)c2)C[C@@H](O)COCC(C)C)C1 ZINC000169680039 568990546 /nfs/dbraw/zinc/99/05/46/568990546.db2.gz BLHKCWSTTRTLKE-PKTZIBPZSA-N 0 1 445.003 4.677 50 0 IJAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@H]3c3cccnc3)c2c1 ZINC000036367186 569087270 /nfs/dbraw/zinc/08/72/70/569087270.db2.gz HLHGNKDXPZERQB-AREMUKBSSA-N 0 1 449.514 4.750 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253405850 569265339 /nfs/dbraw/zinc/26/53/39/569265339.db2.gz INJBCGBDHLDEOD-MRXNPFEDSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc1Cl ZINC000013357856 569313728 /nfs/dbraw/zinc/31/37/28/569313728.db2.gz ANSZMFUBDWOIQV-UHFFFAOYSA-N 0 1 438.958 4.898 50 0 IJAAMN O=C([O-])c1cccc2c(C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c[nH]c21 ZINC000019313163 569318000 /nfs/dbraw/zinc/31/80/00/569318000.db2.gz RLEQWCPSRFQKGF-UHFFFAOYSA-N 0 1 425.532 4.773 50 0 biogenic IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000003208333 569441731 /nfs/dbraw/zinc/44/17/31/569441731.db2.gz NUVRZWPTZCUERF-UHFFFAOYSA-N 0 1 442.562 4.617 50 0 IJAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000217943494 569455143 /nfs/dbraw/zinc/45/51/43/569455143.db2.gz AYXQXSAJESQDDB-GFCCVEGCSA-N 0 1 433.243 4.757 50 0 biogenic IJAAMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccncc2)CC1 ZINC000038546785 569463696 /nfs/dbraw/zinc/46/36/96/569463696.db2.gz LUMZRPAVHREVIF-NRFANRHFSA-N 0 1 440.638 4.801 50 0 IJAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n2)s1 ZINC000040158559 569494556 /nfs/dbraw/zinc/49/45/56/569494556.db2.gz OHYYUCAGXTVZQY-UHFFFAOYSA-N 0 1 431.930 4.783 50 0 IJAAMN CC(C)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000245279895 569502076 /nfs/dbraw/zinc/50/20/76/569502076.db2.gz JJWJJJGCPSDGGV-OZXSUGGESA-N 0 1 433.571 4.931 50 0 IJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(CCCO)C3=O)c1 ZINC000009243680 569514943 /nfs/dbraw/zinc/51/49/43/569514943.db2.gz DDRPTZCNWSVOGG-HXUWFJFHSA-N 0 1 446.334 4.634 50 0 IJAAMN Cc1c(Cl)cccc1NC(=O)CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009466406 569538197 /nfs/dbraw/zinc/53/81/97/569538197.db2.gz GKCVPJPHXLQIHA-UHFFFAOYSA-N 0 1 445.954 4.684 50 0 IJAAMN CCc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2cccc(Br)c2)cc1 ZINC000009503934 569541760 /nfs/dbraw/zinc/54/17/60/569541760.db2.gz QFNPJOHPTWKCEE-UHFFFAOYSA-N 0 1 441.354 4.726 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)=O)cc3)nc2c1 ZINC000009635344 569554650 /nfs/dbraw/zinc/55/46/50/569554650.db2.gz UPBQXGKWTJYXEE-UHFFFAOYSA-N 0 1 437.477 4.583 50 0 IJAAMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCCC2)cc1 ZINC000009767458 569566890 /nfs/dbraw/zinc/56/68/90/569566890.db2.gz SMNHUSULSQCYEU-QFIPXVFZSA-N 0 1 449.576 4.576 50 0 IJAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778669 569567266 /nfs/dbraw/zinc/56/72/66/569567266.db2.gz YOKYVPSSSOWUNR-NHCUHLMSSA-N 0 1 434.854 4.540 50 0 IJAAMN Cc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009789017 569567987 /nfs/dbraw/zinc/56/79/87/569567987.db2.gz MAQCVWRKWAXBOE-HXUWFJFHSA-N 0 1 443.532 4.843 50 0 IJAAMN CC(C)(C)c1cc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)n(-c2ccccc2)n1 ZINC000009872260 569572451 /nfs/dbraw/zinc/57/24/51/569572451.db2.gz SHIJZJLBZKPTNK-UHFFFAOYSA-N 0 1 438.582 4.747 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc(N2CCCCCC2)cc1 ZINC000010037224 569577433 /nfs/dbraw/zinc/57/74/33/569577433.db2.gz OUPQYXKKDORIKP-UHFFFAOYSA-N 0 1 425.533 4.722 50 0 IJAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)c(Cl)c1)N(CCN(C)C)C3=O ZINC000010233101 569579393 /nfs/dbraw/zinc/57/93/93/569579393.db2.gz AXQHNLNSGNQYAM-FQEVSTJZSA-N 0 1 445.346 4.823 50 0 IJAAMN Cc1ccc(NC(=O)NCCCN2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1 ZINC000009560780 132321484 /nfs/dbraw/zinc/32/14/84/132321484.db2.gz BXFSKTPUECQOPR-UHFFFAOYSA-N 0 1 435.399 4.944 50 0 IJAAMN CC(C)Cc1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n[nH]1 ZINC000020856549 519431306 /nfs/dbraw/zinc/43/13/06/519431306.db2.gz GDSFQGWUXIMIHY-DEOSSOPVSA-N 0 1 433.556 4.789 50 0 IJAAMN CC(C)c1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)cc1 ZINC000035372661 519837076 /nfs/dbraw/zinc/83/70/76/519837076.db2.gz IQCBCLPFPALULV-UHFFFAOYSA-N 0 1 434.609 4.805 50 0 IJAAMN CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2c(s1)c(C)ccc2OC ZINC000012140902 520639751 /nfs/dbraw/zinc/63/97/51/520639751.db2.gz ROINXLZXGHVKRP-UHFFFAOYSA-N 0 1 439.581 4.805 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(C)cc1)=N2 ZINC000035372613 521585028 /nfs/dbraw/zinc/58/50/28/521585028.db2.gz XAKKENCMOTYDGE-UHFFFAOYSA-N 0 1 448.636 4.997 50 0 IJAAMN CC[C@@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C)cc1 ZINC000036048493 522721604 /nfs/dbraw/zinc/72/16/04/522721604.db2.gz VIKOHIFJIYWWHY-RCZVLFRGSA-N 0 1 439.600 4.598 50 0 IJAAMN COCCN1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)CC1 ZINC000012588592 523861227 /nfs/dbraw/zinc/86/12/27/523861227.db2.gz UEHGIESLDBTTLE-UHFFFAOYSA-N 0 1 436.606 4.855 50 0 IJAAMN Cc1cccc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)n1 ZINC000011937052 524388551 /nfs/dbraw/zinc/38/85/51/524388551.db2.gz BTDDSOMVESJFRU-UHFFFAOYSA-N 0 1 427.976 4.713 50 0 IJAAMN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)c(C)c1 ZINC000012594909 524484485 /nfs/dbraw/zinc/48/44/85/524484485.db2.gz UOXYZIBJUYPVMC-SFHVURJKSA-N 0 1 427.614 4.970 50 0 IJAAMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1 ZINC000012620146 524661837 /nfs/dbraw/zinc/66/18/37/524661837.db2.gz QYJZLQLZVKDOEH-UHFFFAOYSA-N 0 1 449.561 4.825 50 0 IJAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000035372541 525072525 /nfs/dbraw/zinc/07/25/25/525072525.db2.gz WIWPJIKDCVFDRK-UHFFFAOYSA-N 0 1 441.000 4.643 50 0 IJAAMN COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@H](C(=O)c4cccnc4)C3)ccc2c1 ZINC000012301991 525618589 /nfs/dbraw/zinc/61/85/89/525618589.db2.gz QHBOQLCFEIREFT-QFIPXVFZSA-N 0 1 426.520 4.728 50 0 IJAAMN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cnn(C(C)C)c4)C3)cc2)c1 ZINC000012207046 525713529 /nfs/dbraw/zinc/71/35/29/525713529.db2.gz VZHPQIXNLKUDII-QHCPKHFHSA-N 0 1 432.568 4.990 50 0 IJAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012634754 526214810 /nfs/dbraw/zinc/21/48/10/526214810.db2.gz AQYGYJMVZINRBA-UHFFFAOYSA-N 0 1 446.532 4.642 50 0 IJAAMN O=C(CC[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1)NCc1ccccc1Cl ZINC000012387622 526555178 /nfs/dbraw/zinc/55/51/78/526555178.db2.gz DMBWACWAIQWEDH-INIZCTEOSA-N 0 1 428.989 4.653 50 0 IJAAMN O=C(c1cc(-c2nc3ccsc3c(=O)[nH]2)n(Cc2ccccc2)c1)c1cc(F)ccc1O ZINC000012612066 526598009 /nfs/dbraw/zinc/59/80/09/526598009.db2.gz OJKPEXXSDVUMRE-UHFFFAOYSA-N 0 1 445.475 4.577 50 0 IJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000022037581 526767882 /nfs/dbraw/zinc/76/78/82/526767882.db2.gz RTEJZRDBGYZSGY-MHZLTWQESA-N 0 1 439.603 4.587 50 0 IJAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000012774167 526870151 /nfs/dbraw/zinc/87/01/51/526870151.db2.gz QQLNQANBLHSPFJ-QHCPKHFHSA-N 0 1 428.517 4.517 50 0 IJAAMN O=C(CN[C@@H](c1cccs1)c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012779163 526886735 /nfs/dbraw/zinc/88/67/35/526886735.db2.gz OZRICXGRZNWFJI-NBGIEHNGSA-N 0 1 434.561 4.562 50 0 IJAAMN O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)N3CCC[C@@]123 ZINC000012464282 527038317 /nfs/dbraw/zinc/03/83/17/527038317.db2.gz VLKYVNFERXFLTH-KJOQGJGQSA-N 0 1 429.589 4.791 50 0 IJAAMN O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(Cc2c[nH]nc2C2CCCCC2)CC1 ZINC000020535286 527309938 /nfs/dbraw/zinc/30/99/38/527309938.db2.gz CKGBQQXOPTWZHI-UHFFFAOYSA-N 0 1 432.572 4.698 50 0 IJAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000000687841 555540993 /nfs/dbraw/zinc/54/09/93/555540993.db2.gz ASFJCBVUBFECET-UHFFFAOYSA-N 0 1 430.913 4.710 50 0 IJAAMN CCOC(=O)c1ccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000000721345 555550214 /nfs/dbraw/zinc/55/02/14/555550214.db2.gz FEIPDOYOASQTNG-UHFFFAOYSA-N 0 1 434.336 4.526 50 0 IJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000950165 555588795 /nfs/dbraw/zinc/58/87/95/555588795.db2.gz DKEOQWRAFMBZBX-UHFFFAOYSA-N 0 1 437.308 4.833 50 0 IJAAMN Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000001057690 555614797 /nfs/dbraw/zinc/61/47/97/555614797.db2.gz VLKJMDKUCCRPTP-UHFFFAOYSA-N 0 1 428.941 4.688 50 0 IJAAMN COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000001548097 555702756 /nfs/dbraw/zinc/70/27/56/555702756.db2.gz XMXHEBAFVSFQEX-UHFFFAOYSA-N 0 1 426.488 4.827 50 0 fda IJAAMN O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000034682533 555816414 /nfs/dbraw/zinc/81/64/14/555816414.db2.gz GSHPCUWRFOYBJQ-UHFFFAOYSA-N 0 1 428.532 4.769 50 0 IJAAMN COc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682784 555817076 /nfs/dbraw/zinc/81/70/76/555817076.db2.gz HRLQFRMCSADCPO-UHFFFAOYSA-N 0 1 438.568 4.510 50 0 IJAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 ZINC000002886067 555858147 /nfs/dbraw/zinc/85/81/47/555858147.db2.gz LFAOQFXVNZSUJV-UHFFFAOYSA-N 0 1 442.562 4.779 50 0 IJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc([C@@H]3OCC(C)(C)[C@H](C(C)C)O3)c2)c1 ZINC000008706602 556201165 /nfs/dbraw/zinc/20/11/65/556201165.db2.gz KHFIPJYPRSYWPQ-FCHUYYIVSA-N 0 1 449.569 4.601 50 0 IJAAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccco2)N(CCc2c[nH]c4ccccc24)C3=O)cc1 ZINC000013728860 556294392 /nfs/dbraw/zinc/29/43/92/556294392.db2.gz SXFMWDQROJFTEJ-VWLOTQADSA-N 0 1 438.487 4.948 50 0 IJAAMN CCn1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)c(C)n1 ZINC000011841722 556365433 /nfs/dbraw/zinc/36/54/33/556365433.db2.gz XSBVGBBLWGKONF-UHFFFAOYSA-N 0 1 445.007 4.581 50 0 IJAAMN CCc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1 ZINC000011879008 556371303 /nfs/dbraw/zinc/37/13/03/556371303.db2.gz VDGVLQCINIQFSN-UHFFFAOYSA-N 0 1 434.515 4.821 50 0 IJAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCc3ccco3)c3ccc(C)cc3)n2)cc1 ZINC000012080332 556398691 /nfs/dbraw/zinc/39/86/91/556398691.db2.gz OBDZDGJHXPRWBU-NRFANRHFSA-N 0 1 448.548 4.922 50 0 IJAAMN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccc(Cl)cc1 ZINC000032622665 556409933 /nfs/dbraw/zinc/40/99/33/556409933.db2.gz ORRJLGJTTHRWLX-GOSISDBHSA-N 0 1 448.748 4.790 50 0 IJAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000012985774 556426604 /nfs/dbraw/zinc/42/66/04/556426604.db2.gz VGRKKCOSBVLZPD-SJORKVTESA-N 0 1 435.499 4.764 50 0 IJAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000015070311 556495259 /nfs/dbraw/zinc/49/52/59/556495259.db2.gz GGFZKXKXMBDELZ-UHFFFAOYSA-N 0 1 427.589 4.695 50 0 IJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000013658991 556546597 /nfs/dbraw/zinc/54/65/97/556546597.db2.gz UXQUZXKOZPXCFG-ZRBLBEILSA-N 0 1 448.906 4.708 50 0 IJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000015947173 556568115 /nfs/dbraw/zinc/56/81/15/556568115.db2.gz RRMJACAZYSLNFX-NRFANRHFSA-N 0 1 433.533 4.774 50 0 IJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015947126 556568127 /nfs/dbraw/zinc/56/81/27/556568127.db2.gz MJQSOSKWWBMWEP-NRFANRHFSA-N 0 1 433.533 4.774 50 0 IJAAMN OC1(c2ccc(Br)cc2)CCN(Cc2cccc(Br)c2)CC1 ZINC000000757080 556573125 /nfs/dbraw/zinc/57/31/25/556573125.db2.gz HCJJVQXBEQAINE-UHFFFAOYSA-N 0 1 425.164 4.695 50 0 IJAAMN CC(C)COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146254 556593790 /nfs/dbraw/zinc/59/37/90/556593790.db2.gz RCQYMXALWDNTNU-RTWAWAEBSA-N 0 1 448.966 4.508 50 0 IJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000011914948 556674174 /nfs/dbraw/zinc/67/41/74/556674174.db2.gz SWOJUUNHIUUXAD-RUZDIDTESA-N 0 1 440.503 4.630 50 0 IJAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 ZINC000046141268 556692451 /nfs/dbraw/zinc/69/24/51/556692451.db2.gz OLSPQDXXBHOUIC-UHFFFAOYSA-N 0 1 439.518 4.777 50 0 IJAAMN COc1cccc(NS(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)c1 ZINC000046141488 556692973 /nfs/dbraw/zinc/69/29/73/556692973.db2.gz ARAALABSEXDEDM-UHFFFAOYSA-N 0 1 445.497 4.722 50 0 IJAAMN CCCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000054284485 556729832 /nfs/dbraw/zinc/72/98/32/556729832.db2.gz ZHTXKZDEAWDEOR-UHFFFAOYSA-N 0 1 425.580 4.979 50 0 IJAAMN CSc1ccc(CCNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000033071215 556851619 /nfs/dbraw/zinc/85/16/19/556851619.db2.gz DEWDLYGUEVCIOM-UHFFFAOYSA-N 0 1 428.989 4.514 50 0 IJAAMN CCc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2OC)cc1 ZINC000033173491 556883203 /nfs/dbraw/zinc/88/32/03/556883203.db2.gz KVPDHUPNKFTWNV-UHFFFAOYSA-N 0 1 426.416 4.732 50 0 IJAAMN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)c1 ZINC000033173745 556883660 /nfs/dbraw/zinc/88/36/60/556883660.db2.gz SFFUWGPXSCJWJG-UHFFFAOYSA-N 0 1 430.429 4.734 50 0 IJAAMN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000023119190 557007107 /nfs/dbraw/zinc/00/71/07/557007107.db2.gz WAOYLAVUQCIWGW-OAQYLSRUSA-N 0 1 437.492 4.774 50 0 IJAAMN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(Br)cc2)cc1 ZINC000046057586 557029078 /nfs/dbraw/zinc/02/90/78/557029078.db2.gz BLBKMMMNIVRZHI-SFHVURJKSA-N 0 1 438.325 4.814 50 0 IJAAMN O=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 ZINC000017177989 557030835 /nfs/dbraw/zinc/03/08/35/557030835.db2.gz PDIDKBGNTMCYNA-UHFFFAOYSA-N 0 1 432.954 4.795 50 0 IJAAMN Cc1cccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4c(C)cccc4C)n3)n2)c1 ZINC000033270814 557047738 /nfs/dbraw/zinc/04/77/38/557047738.db2.gz LMGJJOJMJICBLU-UHFFFAOYSA-N 0 1 448.552 4.644 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccc(C)c(C)c4)n3)n2)cc1 ZINC000033270928 557048203 /nfs/dbraw/zinc/04/82/03/557048203.db2.gz ICIBNKPEJHQCDN-UHFFFAOYSA-N 0 1 448.552 4.644 50 0 IJAAMN O=C(CCc1nc(CSc2nc3ccc(Cl)cc3[nH]2)no1)Nc1cc(F)cc(F)c1 ZINC000033271008 557048525 /nfs/dbraw/zinc/04/85/25/557048525.db2.gz VUUOHEOAHBETOX-UHFFFAOYSA-N 0 1 449.870 4.741 50 0 IJAAMN COc1ccc(Cc2n[nH]c(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2)cc1 ZINC000009614914 557192029 /nfs/dbraw/zinc/19/20/29/557192029.db2.gz WVNHHQHQVTXDBZ-UHFFFAOYSA-N 0 1 442.629 4.990 50 0 IJAAMN Oc1ccc(N2CCN(Cn3c4ccccc4nc3SCc3ccccc3)CC2)cc1 ZINC000025784678 557226815 /nfs/dbraw/zinc/22/68/15/557226815.db2.gz FJQLCMRSZANQMT-UHFFFAOYSA-N 0 1 430.577 4.814 50 0 IJAAMN COc1cccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)c1 ZINC000027343151 557260488 /nfs/dbraw/zinc/26/04/88/557260488.db2.gz TYSSLULBPGSSAP-NRFANRHFSA-N 0 1 425.916 4.571 50 0 IJAAMN C[C@@H](NC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21)C(C)(C)C ZINC000023326834 557312986 /nfs/dbraw/zinc/31/29/86/557312986.db2.gz KRMHGUQLMLZTLY-HXUWFJFHSA-N 0 1 430.596 4.721 50 0 IJAAMN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)[nH]n2)cc1 ZINC000023447031 557359167 /nfs/dbraw/zinc/35/91/67/557359167.db2.gz WGROKSGNQFVWBA-UHFFFAOYSA-N 0 1 439.515 4.878 50 0 IJAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)c1 ZINC000008845293 562965155 /nfs/dbraw/zinc/96/51/55/562965155.db2.gz MVMJFKAAGRVKPT-DEOSSOPVSA-N 0 1 435.524 4.543 50 0 IJAAMN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000009790142 562976932 /nfs/dbraw/zinc/97/69/32/562976932.db2.gz BYLYWOKLAASVJQ-QHCPKHFHSA-N 0 1 443.551 4.839 50 0 IJAAMN COc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000015924978 563018443 /nfs/dbraw/zinc/01/84/43/563018443.db2.gz UHMSDRVAWHLXFT-QFIPXVFZSA-N 0 1 430.976 4.849 50 0 IJAAMN COc1cccc(Cn2cnc3c2cc(C)c(C)c3NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000001391907 568785152 /nfs/dbraw/zinc/78/51/52/568785152.db2.gz IVPXCWKBSVPGKW-UHFFFAOYSA-N 0 1 439.512 4.650 50 0 IJAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)N1CCCC1 ZINC000015690821 568807496 /nfs/dbraw/zinc/80/74/96/568807496.db2.gz AVJWORPIUQSXIM-HXUWFJFHSA-N 0 1 428.623 4.741 50 0 IJAAMN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@](C)(O)CC(=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000103217872 568894306 /nfs/dbraw/zinc/89/43/06/568894306.db2.gz UJJOORZOZZWAAY-YKKMPQLRSA-N 0 1 442.511 4.501 50 0 IJAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557755 568931898 /nfs/dbraw/zinc/93/18/98/568931898.db2.gz OGLGJGYYVNWIJG-QFIPXVFZSA-N 0 1 449.528 4.725 50 0 IJAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146027 568962032 /nfs/dbraw/zinc/96/20/32/568962032.db2.gz MLEVLGRWPSSWIR-VXKWHMMOSA-N 0 1 448.966 4.650 50 0 IJAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146023 568962244 /nfs/dbraw/zinc/96/22/44/568962244.db2.gz LFCJHFQREYYLMF-GOTSBHOMSA-N 0 1 448.966 4.508 50 0 IJAAMN Cc1cc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1O ZINC000019370008 568989284 /nfs/dbraw/zinc/98/92/84/568989284.db2.gz RNWIXHXHMGKHGF-UHFFFAOYSA-N 0 1 440.543 4.714 50 0 biogenic IJAAMN O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169678470 568989942 /nfs/dbraw/zinc/98/99/42/568989942.db2.gz XGUUEOUGZUVNIB-RSXGOPAZSA-N 0 1 445.994 4.520 50 0 IJAAMN CCOc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344165 569080051 /nfs/dbraw/zinc/08/00/51/569080051.db2.gz DCNLOEYUWFADFF-XMMPIXPASA-N 0 1 435.568 4.504 50 0 IJAAMN O=C(Nc1cccc(F)c1)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265716 569127146 /nfs/dbraw/zinc/12/71/46/569127146.db2.gz SPOFCOSDSNOOMK-VWLOTQADSA-N 0 1 444.514 4.533 50 0 biogenic IJAAMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCCCC[C@H]1c1ccncc1 ZINC000089847933 569165865 /nfs/dbraw/zinc/16/58/65/569165865.db2.gz HVMYQPJJNNAAJS-KRWDZBQOSA-N 0 1 425.330 4.992 50 0 IJAAMN CN(C)c1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CC3)C2)cc1 ZINC000037439086 569196348 /nfs/dbraw/zinc/19/63/48/569196348.db2.gz MZXPYXZMERUJNZ-OAQYLSRUSA-N 0 1 445.485 4.703 50 0 IJAAMN Cc1cc(OCCCOc2ccc(Cl)cc2/C=C2\NC(=O)NC2=O)cc(C)c1Cl ZINC000027552210 569272194 /nfs/dbraw/zinc/27/21/94/569272194.db2.gz VFOXTGALWXCDEQ-BOPFTXTBSA-N 0 1 435.307 4.638 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2cc3nc4ccccc4nc3n2CCc2ccccc2)cc1 ZINC000002428738 569302858 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ZINC000015840574 556556680 /nfs/dbraw/zinc/55/66/80/556556680.db2.gz BETKPTQOYPZXCV-HSZRJFAPSA-N 0 1 429.545 4.633 50 0 IJAAMN CC1CCN(c2nc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3s2)CC1 ZINC000005145430 556642548 /nfs/dbraw/zinc/64/25/48/556642548.db2.gz PXXAPDOHBMAVAS-UHFFFAOYSA-N 0 1 426.630 4.623 50 0 IJAAMN COc1ccc(-c2ncc(CN[C@@H]3CCCc4c3cnn4-c3ccccc3F)cn2)cc1 ZINC000055134177 556735769 /nfs/dbraw/zinc/73/57/69/556735769.db2.gz DXFRZCJPZMJSTF-JOCHJYFZSA-N 0 1 429.499 4.644 50 0 IJAAMN C[N@@H+](CC[C@H](Oc1ccc(C(=O)c2nccs2)cc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000071773468 556888089 /nfs/dbraw/zinc/88/80/89/556888089.db2.gz PFYHOXGTFSSYBE-IBGZPJMESA-N 0 1 444.940 4.554 50 0 in-vitro IJAAMN CC(=O)c1cccc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000019954083 556954605 /nfs/dbraw/zinc/95/46/05/556954605.db2.gz ACYPPMWNYDPXTR-XMMPIXPASA-N 0 1 445.529 4.695 50 0 IJAAMN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 ZINC000046057065 557028722 /nfs/dbraw/zinc/02/87/22/557028722.db2.gz 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C[C@@H](c1ccccc1)N(C)CC(=O)NCCSCc1ccc(Br)s1 ZINC000049581176 557116231 /nfs/dbraw/zinc/11/62/31/557116231.db2.gz RLAKHCQQHUINGM-AWEZNQCLSA-N 0 1 427.433 4.553 50 0 IJAAMN O=c1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2sc3c(n21)CCCC3 ZINC000023845829 557120295 /nfs/dbraw/zinc/12/02/95/557120295.db2.gz MCRXEAMAKMLJDV-OAHLLOKOSA-N 0 1 436.606 4.624 50 0 IJAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025439840 557209623 /nfs/dbraw/zinc/20/96/23/557209623.db2.gz AVTREDQWCJZDLU-QHCPKHFHSA-N 0 1 443.547 4.593 50 0 IJAAMN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000018044649 557234321 /nfs/dbraw/zinc/23/43/21/557234321.db2.gz LBRWZPVCECDHRK-ZRBLBEILSA-N 0 1 448.906 4.708 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4Br)o3)n2)cc1 ZINC000014166011 557312551 /nfs/dbraw/zinc/31/25/51/557312551.db2.gz YYQCEWSXVIRIJA-UHFFFAOYSA-N 0 1 428.315 4.885 50 0 IJAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc(F)c2)[C@@H]1C(=O)c1ccccc1 ZINC000222204665 557334393 /nfs/dbraw/zinc/33/43/93/557334393.db2.gz ATKPPXARVSMIPU-MZLPPYGWSA-N 0 1 430.475 4.631 50 0 IJAAMN COc1ccc(CCNC(=O)c2ccc(-c3[nH]nc4c3COc3ccccc3-4)cc2)cc1 ZINC000023448710 557356373 /nfs/dbraw/zinc/35/63/73/557356373.db2.gz SHIKPZMYXQVKIR-UHFFFAOYSA-N 0 1 425.488 4.617 50 0 IJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(OC)c(OC)c4)cc3)[nH]n2)c1 ZINC000023451711 557357359 /nfs/dbraw/zinc/35/73/59/557357359.db2.gz YNSFOUZGPLZSFX-UHFFFAOYSA-N 0 1 443.503 4.700 50 0 IJAAMN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102736069 557373305 /nfs/dbraw/zinc/37/33/05/557373305.db2.gz LBRWZPVCECDHRK-DNVJHFABSA-N 0 1 448.906 4.708 50 0 IJAAMN CCOc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102739547 557380551 /nfs/dbraw/zinc/38/05/51/557380551.db2.gz BVWGGNMNALAHCY-DNVJHFABSA-N 0 1 448.906 4.790 50 0 IJAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102757518 557384339 /nfs/dbraw/zinc/38/43/39/557384339.db2.gz KGRDTHKAUXVLSN-UBFVSLLYSA-N 0 1 442.515 4.917 50 0 IJAAMN CCCC[C@H](CC)CNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000263585305 568758925 /nfs/dbraw/zinc/75/89/25/568758925.db2.gz HDWMZLOXEHLERX-FUTPGTCUSA-N 0 1 430.633 4.696 50 0 biogenic IJAAMN CCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000015870712 568852213 /nfs/dbraw/zinc/85/22/13/568852213.db2.gz BSCZWNDIMKUFDQ-UHFFFAOYSA-N 0 1 435.549 4.856 50 0 IJAAMN COc1cccc([C@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)N2CCCC2)c1 ZINC000013010748 568900194 /nfs/dbraw/zinc/90/01/94/568900194.db2.gz UJWSXWZSDWIZMQ-NRFANRHFSA-N 0 1 442.357 4.506 50 0 IJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)s2)no1 ZINC000064844561 568971863 /nfs/dbraw/zinc/97/18/63/568971863.db2.gz AILWMQXLPPISTM-UHFFFAOYSA-N 0 1 437.852 4.888 50 0 IJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308693 568995721 /nfs/dbraw/zinc/99/57/21/568995721.db2.gz GLQBRJMIPMRNKY-QHCPKHFHSA-N 0 1 435.568 4.582 50 0 IJAAMN COc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341147 569079124 /nfs/dbraw/zinc/07/91/24/569079124.db2.gz VBUQYVPQXLFGCD-HSZRJFAPSA-N 0 1 425.960 4.758 50 0 IJAAMN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(C3CCCCC3)[nH]n1)CC2 ZINC000170611394 569145200 /nfs/dbraw/zinc/14/52/00/569145200.db2.gz NATCEQLXSIGLLH-UHFFFAOYSA-N 0 1 430.593 4.711 50 0 IJAAMN O=C(Nc1cccc(C(=O)Nc2cc(Br)cc(Cl)c2O)c1)c1ccco1 ZINC000089780575 569162879 /nfs/dbraw/zinc/16/28/79/569162879.db2.gz TUBDGCUHYQCBCQ-UHFFFAOYSA-N 0 1 435.661 4.906 50 0 IJAAMN COc1ccccc1S(=O)(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006595 569184707 /nfs/dbraw/zinc/18/47/07/569184707.db2.gz OEZVVUFXEZAEKC-UHFFFAOYSA-N 0 1 438.534 4.758 50 0 IJAAMN COc1ccc(Br)cc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222456 569186545 /nfs/dbraw/zinc/18/65/45/569186545.db2.gz DZNRKFJRIXTYPM-HXUWFJFHSA-N 0 1 426.358 4.870 50 0 IJAAMN COc1ccc2[nH]c(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@H]3c3cccnc3)cc2c1 ZINC000066087586 569205728 /nfs/dbraw/zinc/20/57/28/569205728.db2.gz SPACFUINEQBVGB-AREMUKBSSA-N 0 1 449.514 4.750 50 0 IJAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253405843 569265324 /nfs/dbraw/zinc/26/53/24/569265324.db2.gz INJBCGBDHLDEOD-INIZCTEOSA-N 0 1 434.831 4.966 50 0 biogenic IJAAMN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1NC(C)=O ZINC000013096071 569309466 /nfs/dbraw/zinc/30/94/66/569309466.db2.gz CGHRDPSKPVPTCO-UHFFFAOYSA-N 0 1 446.912 4.900 50 0 IJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N[C@H]3CCCc4ccccc43)cc12 ZINC000020153845 569353527 /nfs/dbraw/zinc/35/35/27/569353527.db2.gz COBPBBXTCRJJIB-QHCPKHFHSA-N 0 1 445.636 4.659 50 0 IJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)Nc4cccc(C)c4)c3=O)c2c1 ZINC000020331325 569360968 /nfs/dbraw/zinc/36/09/68/569360968.db2.gz IRTXSSSFHKAJJT-UHFFFAOYSA-N 0 1 436.537 4.666 50 0 IJAAMN c1ccc(-c2nnc3ccc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nn32)cc1 ZINC000020355786 569361443 /nfs/dbraw/zinc/36/14/43/569361443.db2.gz ANMOBIAGGJLHBI-UHFFFAOYSA-N 0 1 446.558 4.703 50 0 IJAAMN O[C@@H](CSc1cccc(C(F)(F)F)c1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020385220 569363009 /nfs/dbraw/zinc/36/30/09/569363009.db2.gz HERCZGFXKOWPGD-GOSISDBHSA-N 0 1 430.923 4.634 50 0 IJAAMN NC(=O)c1ccc2[nH]cc(C3CCN(Cc4ccc(F)c(Br)c4)CC3)c2c1 ZINC000095466732 569371065 /nfs/dbraw/zinc/37/10/65/569371065.db2.gz OSMVESHUEABRRR-UHFFFAOYSA-N 0 1 430.321 4.548 50 0 IJAAMN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1C ZINC000002657959 569415649 /nfs/dbraw/zinc/41/56/49/569415649.db2.gz DHMFMKRSVIAXAK-CYBMUJFWSA-N 0 1 448.976 4.734 50 0 IJAAMN O=C(c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 ZINC000028707446 569418075 /nfs/dbraw/zinc/41/80/75/569418075.db2.gz YEIHNXUKTTWMDZ-UHFFFAOYSA-N 0 1 439.603 4.830 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc(Cl)c2)cc1 ZINC000057322919 569431097 /nfs/dbraw/zinc/43/10/97/569431097.db2.gz WTLOEACESGKXIW-MRXNPFEDSA-N 0 1 437.927 4.890 50 0 IJAAMN Cc1ccc2nc(SCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)[nH]c2c1 ZINC000008065742 569462203 /nfs/dbraw/zinc/46/22/03/569462203.db2.gz JGJDCXCGUUQIBL-JOCHJYFZSA-N 0 1 425.554 4.638 50 0 IJAAMN CCc1cc([C@H](c2ccsc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546564 569463640 /nfs/dbraw/zinc/46/36/40/569463640.db2.gz YSVNNVXJBSBDIQ-FQEVSTJZSA-N 0 1 429.611 4.944 50 0 IJAAMN COc1cc(Br)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000008720244 569471596 /nfs/dbraw/zinc/47/15/96/569471596.db2.gz WOXJDQSBTUJPBK-UHFFFAOYSA-N 0 1 448.338 4.934 50 0 IJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008845137 569478695 /nfs/dbraw/zinc/47/86/95/569478695.db2.gz OZCAYUMAAGJHRZ-RUZDIDTESA-N 0 1 440.503 4.712 50 0 IJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CC)cc1OCC ZINC000008845837 569478942 /nfs/dbraw/zinc/47/89/42/569478942.db2.gz DVUBLGCIIGPZEY-XMMPIXPASA-N 0 1 435.524 4.925 50 0 IJAAMN Cc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3ccccc3F)n[nH]2)cs1 ZINC000009170000 569509204 /nfs/dbraw/zinc/50/92/04/569509204.db2.gz KZUMJMUXJTXKGF-UHFFFAOYSA-N 0 1 439.541 4.849 50 0 IJAAMN CCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000009184758 569510024 /nfs/dbraw/zinc/51/00/24/569510024.db2.gz ZQJUZISSBBDYPO-DEOSSOPVSA-N 0 1 435.524 4.843 50 0 IJAAMN CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nc(C)c(-c3ccccc3)[nH]2)nc1C ZINC000009191512 569510619 /nfs/dbraw/zinc/51/06/19/569510619.db2.gz FXFBMNXQUMGXGJ-OAHLLOKOSA-N 0 1 444.582 4.836 50 0 IJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 ZINC000009409249 569531010 /nfs/dbraw/zinc/53/10/10/569531010.db2.gz OSHBZVBIPNGNHZ-HXUWFJFHSA-N 0 1 426.314 4.890 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)n2)cc1 ZINC000009513948 569543148 /nfs/dbraw/zinc/54/31/48/569543148.db2.gz NSMOZFKDUKUSLS-KRWDZBQOSA-N 0 1 449.561 4.905 50 0 IJAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000009526074 569544495 /nfs/dbraw/zinc/54/44/95/569544495.db2.gz NKDGESLJRDJXMV-UHFFFAOYSA-N 0 1 436.489 4.803 50 0 IJAAMN O=C(CSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1)c1ccc(Cl)cc1 ZINC000070635144 569548641 /nfs/dbraw/zinc/54/86/41/569548641.db2.gz VUFNOIWHKLHSAN-UHFFFAOYSA-N 0 1 446.897 4.667 50 0 IJAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(Br)cc3)nc21 ZINC000009603941 569551808 /nfs/dbraw/zinc/55/18/08/569551808.db2.gz VIWHVKLIERCUNC-UHFFFAOYSA-N 0 1 448.386 4.666 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1cccs1 ZINC000009608576 569552228 /nfs/dbraw/zinc/55/22/28/569552228.db2.gz TZIXGMKXRSBCAH-SFHVURJKSA-N 0 1 426.567 4.792 50 0 IJAAMN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nc(-c2ccncc2)n[nH]1 ZINC000009609737 569552432 /nfs/dbraw/zinc/55/24/32/569552432.db2.gz AJDIDWLVWXUVEF-UHFFFAOYSA-N 0 1 439.928 4.531 50 0 IJAAMN COCCCNC(=O)CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000009674171 569559140 /nfs/dbraw/zinc/55/91/40/569559140.db2.gz IVLIWVRFYXXQTA-UHFFFAOYSA-N 0 1 433.936 4.781 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)n2)cc1 ZINC000009778428 569567222 /nfs/dbraw/zinc/56/72/22/569567222.db2.gz LPYDNEZDZICHKX-FQEVSTJZSA-N 0 1 438.553 4.979 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1F ZINC000009942424 569574037 /nfs/dbraw/zinc/57/40/37/569574037.db2.gz XZIXISBRNHSHRP-HXUWFJFHSA-N 0 1 438.528 4.870 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009949843 569574281 /nfs/dbraw/zinc/57/42/81/569574281.db2.gz DFFDYCGXNMOPOE-UHFFFAOYSA-N 0 1 440.500 4.773 50 0 IJAAMN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Cl)cc1)N(CCN(C)C)C3=O ZINC000010233057 569579454 /nfs/dbraw/zinc/57/94/54/569579454.db2.gz WVSACPCGHDIJDM-LJQANCHMSA-N 0 1 431.319 4.515 50 0 IJAAMN C[C@@H]1CCCCN1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000008590040 132283643 /nfs/dbraw/zinc/28/36/43/132283643.db2.gz NAUNLPWRVSKAME-LJQANCHMSA-N 0 1 446.547 4.526 50 0 IJAAMN CCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)Cc1ccccc1 ZINC000012444369 521276530 /nfs/dbraw/zinc/27/65/30/521276530.db2.gz QRAKUMATYUTYRF-UHFFFAOYSA-N 0 1 440.591 4.980 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccccc1)=N2 ZINC000035372587 521584180 /nfs/dbraw/zinc/58/41/80/521584180.db2.gz AVZRNWGBVJRWIR-UHFFFAOYSA-N 0 1 434.609 4.689 50 0 IJAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccnc2ccc(C)cc21 ZINC000012574943 523688205 /nfs/dbraw/zinc/68/82/05/523688205.db2.gz GRTKGIZSYGXBOW-UHFFFAOYSA-N 0 1 449.570 4.683 50 0 IJAAMN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(Cl)s3)C2)c(OC)c1 ZINC000012373738 524048007 /nfs/dbraw/zinc/04/80/07/524048007.db2.gz QOOGQQYGKUWYKO-MRXNPFEDSA-N 0 1 437.005 4.727 50 0 IJAAMN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(Cl)s3)C2)c(OC)c1 ZINC000012373737 524048042 /nfs/dbraw/zinc/04/80/42/524048042.db2.gz QOOGQQYGKUWYKO-INIZCTEOSA-N 0 1 437.005 4.727 50 0 IJAAMN CN(C)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000012342183 524059012 /nfs/dbraw/zinc/05/90/12/524059012.db2.gz IBDNIRGQSISIQA-UHFFFAOYSA-N 0 1 439.528 4.791 50 0 IJAAMN COc1cccc(-c2cc(C3=NN(C(C)=O)[C@H](c4ccc(Cl)cc4Cl)O3)[nH]n2)c1 ZINC000021151742 525705654 /nfs/dbraw/zinc/70/56/54/525705654.db2.gz LKHJMVOEKSZJQS-FQEVSTJZSA-N 0 1 431.279 4.631 50 0 IJAAMN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCc1ccccc1)C3 ZINC000020827034 526218898 /nfs/dbraw/zinc/21/88/98/526218898.db2.gz GDGQETBLUUUGPE-UHFFFAOYSA-N 0 1 433.602 4.770 50 0 IJAAMN O=C(NCc1ccc(F)cc1F)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)[nH]n2)cc1 ZINC000023456578 526678296 /nfs/dbraw/zinc/67/82/96/526678296.db2.gz VLEOTTXLOOAKPA-UHFFFAOYSA-N 0 1 447.441 4.723 50 0 IJAAMN O=C(c1ccc(OC2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)cc1)N1CCCC1 ZINC000012306615 526706498 /nfs/dbraw/zinc/70/64/98/526706498.db2.gz RGIBBVYTDNSKIU-UHFFFAOYSA-N 0 1 436.600 4.737 50 0 IJAAMN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000035539471 526865261 /nfs/dbraw/zinc/86/52/61/526865261.db2.gz UPVGAGXGBBXCHF-UHFFFAOYSA-N 0 1 440.344 4.547 50 0 IJAAMN COc1ccc(N=C2C[C@H](c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000662769 555527428 /nfs/dbraw/zinc/52/74/28/555527428.db2.gz WJZOKOUQLAGZTP-HSZRJFAPSA-N 0 1 446.503 4.805 50 0 IJAAMN O=S(=O)(Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1)c1ccc(Cl)cc1 ZINC000001033613 555607213 /nfs/dbraw/zinc/60/72/13/555607213.db2.gz PUEPGYQDVCQJGW-UHFFFAOYSA-N 0 1 447.303 4.925 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001185454 555673970 /nfs/dbraw/zinc/67/39/70/555673970.db2.gz SUZNITQZRLFVQQ-UHFFFAOYSA-N 0 1 445.338 4.811 50 0 IJAAMN O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)nc1)c1ccccc1Cl ZINC000034681688 555814990 /nfs/dbraw/zinc/81/49/90/555814990.db2.gz MYPKNIDMVGANQZ-UHFFFAOYSA-N 0 1 438.934 4.839 50 0 IJAAMN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(OC)c(O)c3)CC2)c1 ZINC000034683609 555819144 /nfs/dbraw/zinc/81/91/44/555819144.db2.gz NWSSQDZHQNUSNC-UHFFFAOYSA-N 0 1 446.547 4.721 50 0 IJAAMN O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1 ZINC000034683707 555819506 /nfs/dbraw/zinc/81/95/06/555819506.db2.gz XPLZTDWXOSQMCL-UHFFFAOYSA-N 0 1 448.560 4.886 50 0 IJAAMN O=C(NCc1ccc(F)cc1)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684564 555820238 /nfs/dbraw/zinc/82/02/38/555820238.db2.gz VPZYXFGGBHXOKX-UHFFFAOYSA-N 0 1 437.946 4.731 50 0 IJAAMN COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000002876637 555852618 /nfs/dbraw/zinc/85/26/18/555852618.db2.gz INUZSUWEOJCNCA-UHFFFAOYSA-N 0 1 430.913 4.710 50 0 IJAAMN COc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1F ZINC000011838309 556363396 /nfs/dbraw/zinc/36/33/96/556363396.db2.gz ACWWCOOHIAEKGM-UHFFFAOYSA-N 0 1 425.529 4.809 50 0 IJAAMN COc1ccc(-c2n[nH]c(SCc3cc(OC)c(Br)cc3OC)n2)cc1 ZINC000014160134 556378187 /nfs/dbraw/zinc/37/81/87/556378187.db2.gz WVDFXFOPLSOUAW-UHFFFAOYSA-N 0 1 436.331 4.552 50 0 IJAAMN Cc1ccsc1C(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012025658 556387727 /nfs/dbraw/zinc/38/77/27/556387727.db2.gz RDKVUINHKDNMRM-NRFANRHFSA-N 0 1 430.589 4.729 50 0 IJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccccc1F ZINC000027991747 556440088 /nfs/dbraw/zinc/44/00/88/556440088.db2.gz QDBAOYDKHNJIEY-QFIPXVFZSA-N 0 1 443.906 4.935 50 0 IJAAMN CN(C)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289720 556449183 /nfs/dbraw/zinc/44/91/83/556449183.db2.gz KTNHDXXUAJULNW-IBGZPJMESA-N 0 1 426.944 4.777 50 0 IJAAMN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000014961228 556463856 /nfs/dbraw/zinc/46/38/56/556463856.db2.gz FQRGNEFPLCVNQB-UHFFFAOYSA-N 0 1 447.539 4.575 50 0 IJAAMN Cc1cc(C)c(C(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014975645 556468445 /nfs/dbraw/zinc/46/84/45/556468445.db2.gz CCEUHZJEWORMSK-QFIPXVFZSA-N 0 1 428.548 4.569 50 0 IJAAMN CC(=O)N(c1nc(COC(=O)[C@@H](C(C)C)N2CCCC2)cs1)c1cccc(C)c1C ZINC000072294131 556506565 /nfs/dbraw/zinc/50/65/65/556506565.db2.gz NGAJJMHQPBWNPV-OAQYLSRUSA-N 0 1 429.586 4.608 50 0 IJAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013648154 556544752 /nfs/dbraw/zinc/54/47/52/556544752.db2.gz GCMPOJXQRBLRKU-CAOCKLPOSA-N 0 1 442.515 4.672 50 0 IJAAMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000015859640 556558241 /nfs/dbraw/zinc/55/82/41/556558241.db2.gz MWMPMSRJMZGJQX-KRWDZBQOSA-N 0 1 446.370 4.733 50 0 IJAAMN COc1ccc(CC(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1OC ZINC000032960927 556571403 /nfs/dbraw/zinc/57/14/03/556571403.db2.gz DJEKVHSXVSVOOP-UHFFFAOYSA-N 0 1 429.520 4.855 50 0 IJAAMN O=C1NC(=Cc2cc(Cl)cc(Br)c2O)C(=O)N1c1cccc(Cl)c1 ZINC000016265133 556595425 /nfs/dbraw/zinc/59/54/25/556595425.db2.gz XYGIFLNAFXILRU-WLRTZDKTSA-N 0 1 428.069 4.559 50 0 IJAAMN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036344210 556597053 /nfs/dbraw/zinc/59/70/53/556597053.db2.gz WESZQCOVYXAMTJ-VWLOTQADSA-N 0 1 449.595 4.730 50 0 IJAAMN Cc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000016699354 556629411 /nfs/dbraw/zinc/62/94/11/556629411.db2.gz AYPUYJLLINNTOM-UHFFFAOYSA-N 0 1 428.897 4.736 50 0 IJAAMN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1Cl ZINC000016780680 556641661 /nfs/dbraw/zinc/64/16/61/556641661.db2.gz SKEGAHJZOZEPTG-XMMPIXPASA-N 0 1 436.983 4.877 50 0 IJAAMN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000064166415 556823126 /nfs/dbraw/zinc/82/31/26/556823126.db2.gz RKKQTUDCZVSKMH-LJQANCHMSA-N 0 1 436.358 4.559 50 0 IJAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173457 556883315 /nfs/dbraw/zinc/88/33/15/556883315.db2.gz CKQROFPCMFEFLZ-UHFFFAOYSA-N 0 1 426.416 4.868 50 0 IJAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1 ZINC000033169478 556884782 /nfs/dbraw/zinc/88/47/82/556884782.db2.gz AVQUQCIFLFUBLF-UHFFFAOYSA-N 0 1 436.580 4.774 50 0 IJAAMN O=C1CC[C@@H]2CN(C/C(Cl)=C/c3ccccc3)CC[C@@H]2N1CCc1cccc(F)c1 ZINC000020135530 556988292 /nfs/dbraw/zinc/98/82/92/556988292.db2.gz ZIXKDCVBHWEVCE-IPEZJBKESA-N 0 1 426.963 4.961 50 0 IJAAMN c1ccc(CCc2nnc3n2CCN(Cc2ccc(OCc4ccccc4)cc2)CC3)cc1 ZINC000020136998 556988477 /nfs/dbraw/zinc/98/84/77/556988477.db2.gz NJYBKBGTPRHPKK-UHFFFAOYSA-N 0 1 438.575 4.701 50 0 IJAAMN Cc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000032948536 557059254 /nfs/dbraw/zinc/05/92/54/557059254.db2.gz PABFQGKNKVCBKU-UHFFFAOYSA-N 0 1 440.575 4.544 50 0 IJAAMN O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002860505 557133671 /nfs/dbraw/zinc/13/36/71/557133671.db2.gz MAQDUQDFHYBAAF-UHFFFAOYSA-N 0 1 426.851 4.799 50 0 IJAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1Cc2ccccc2O1 ZINC000026130166 557235813 /nfs/dbraw/zinc/23/58/13/557235813.db2.gz ILABQJDLNMZUSS-SFTDATJTSA-N 0 1 437.421 4.791 50 0 IJAAMN COC(=O)CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023323639 557293824 /nfs/dbraw/zinc/29/38/24/557293824.db2.gz SBSDYHCJIZMEIS-UHFFFAOYSA-N 0 1 432.307 4.734 50 0 IJAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173463 557327085 /nfs/dbraw/zinc/32/70/85/557327085.db2.gz WINPDMIWBWLNEJ-UHFFFAOYSA-N 0 1 426.416 4.787 50 0 IJAAMN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000033275361 557328964 /nfs/dbraw/zinc/32/89/64/557328964.db2.gz CFOYRNWSWQIIPQ-UHFFFAOYSA-N 0 1 441.503 4.920 50 0 IJAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCOc4ccccc4)cc3)n[nH]c1-2 ZINC000023452191 557356078 /nfs/dbraw/zinc/35/60/78/557356078.db2.gz PWHXEUXRANDSLN-UHFFFAOYSA-N 0 1 439.515 4.660 50 0 IJAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102706396 557366522 /nfs/dbraw/zinc/36/65/22/557366522.db2.gz GCMPOJXQRBLRKU-QLBJFCOMSA-N 0 1 442.515 4.672 50 0 IJAAMN CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102733557 557372167 /nfs/dbraw/zinc/37/21/67/557372167.db2.gz BPDUHMYHHKIDAT-DNVJHFABSA-N 0 1 432.907 4.954 50 0 IJAAMN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102733557 557372170 /nfs/dbraw/zinc/37/21/70/557372170.db2.gz BPDUHMYHHKIDAT-DNVJHFABSA-N 0 1 432.907 4.954 50 0 IJAAMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccncc2)CC1 ZINC000038546786 557591682 /nfs/dbraw/zinc/59/16/82/557591682.db2.gz LUMZRPAVHREVIF-OAQYLSRUSA-N 0 1 440.638 4.801 50 0 IJAAMN O=S(=O)(Nc1cccc2cnccc21)c1cc(Br)ccc1Br ZINC000028047656 557641155 /nfs/dbraw/zinc/64/11/55/557641155.db2.gz FEGHAYTYBOWOEA-UHFFFAOYSA-N 0 1 442.132 4.561 50 0 IJAAMN Cc1ccccc1N1CCN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000024992524 557830473 /nfs/dbraw/zinc/83/04/73/557830473.db2.gz ZWZZXUWOKBYUHP-UHFFFAOYSA-N 0 1 430.474 4.819 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccccc2)cc1 ZINC000008606554 562957020 /nfs/dbraw/zinc/95/70/20/562957020.db2.gz UVGLSPQSYDRUON-VWLOTQADSA-N 0 1 425.488 4.579 50 0 aggregator IJAAMN COc1ccc2sc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)nc2c1 ZINC000009604094 562974021 /nfs/dbraw/zinc/97/40/21/562974021.db2.gz MCFGVPYYUHWMMU-UHFFFAOYSA-N 0 1 430.382 4.882 50 0 IJAAMN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCCC1 ZINC000025262395 568649559 /nfs/dbraw/zinc/64/95/59/568649559.db2.gz BMFHSCHCXXDTAJ-HNNXBMFYSA-N 0 1 437.367 4.854 50 0 IJAAMN CCCC(=O)N[C@@](Nc1ccc(Cl)cc1C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000003663237 568753644 /nfs/dbraw/zinc/75/36/44/568753644.db2.gz WJBRWKBDYGQBHX-AWEZNQCLSA-N 0 1 434.764 4.509 50 0 IJAAMN COc1ccc(S(=O)(=O)Nc2c3ncn(Cc4ccccc4C)c3cc(C)c2C)cc1 ZINC000001391846 568785207 /nfs/dbraw/zinc/78/52/07/568785207.db2.gz RKIDIRQXIRSGMF-UHFFFAOYSA-N 0 1 435.549 4.819 50 0 IJAAMN CC(=O)c1ccc(NC(=O)c2sc(N3N=C(C)C(CCC(C)C)C3=O)nc2C)cc1 ZINC000015671525 568802568 /nfs/dbraw/zinc/80/25/68/568802568.db2.gz MFVZLAURWJFNPA-UHFFFAOYSA-N 0 1 426.542 4.695 50 0 IJAAMN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCN3CCCC[C@@H]3C)cc1CC2 ZINC000015781666 568825933 /nfs/dbraw/zinc/82/59/33/568825933.db2.gz RUXSTUKHYUNOJD-KRWDZBQOSA-N 0 1 434.609 4.612 50 0 IJAAMN O=C(Nc1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006147002 568846247 /nfs/dbraw/zinc/84/62/47/568846247.db2.gz DNFXAGMEIOKPOH-UHFFFAOYSA-N 0 1 449.301 4.641 50 0 IJAAMN COc1ccc([C@@H](CNC(=O)Cc2csc(-c3ccsc3)n2)N2CCCCC2)cc1 ZINC000012999260 568897972 /nfs/dbraw/zinc/89/79/72/568897972.db2.gz JXOKZKBMUDQLMS-OAQYLSRUSA-N 0 1 441.622 4.766 50 0 IJAAMN Cc1nn(-c2cccc(C)c2C)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000064450213 568929274 /nfs/dbraw/zinc/92/92/74/568929274.db2.gz NMPYKWYKDOYFGB-KRWDZBQOSA-N 0 1 438.325 4.869 50 0 IJAAMN Cc1sc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1-c1ccno1 ZINC000064845146 568971981 /nfs/dbraw/zinc/97/19/81/568971981.db2.gz DOHUEROFPAQTCI-UHFFFAOYSA-N 0 1 427.345 4.892 50 0 IJAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036340469 569078808 /nfs/dbraw/zinc/07/88/08/569078808.db2.gz VNQNKBGZUZQAJV-VWLOTQADSA-N 0 1 444.623 4.716 50 0 IJAAMN COc1cc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc(OC)c1OC ZINC000010060502 569152532 /nfs/dbraw/zinc/15/25/32/569152532.db2.gz FYRCSTCBCOORQF-UHFFFAOYSA-N 0 1 435.362 4.551 50 0 IJAAMN FC(F)(F)c1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)nc(-c2cccnc2)n1 ZINC000089851320 569166228 /nfs/dbraw/zinc/16/62/28/569166228.db2.gz XOQLJCBHGOGAOL-MRXNPFEDSA-N 0 1 437.429 4.684 50 0 IJAAMN FC(F)(F)c1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)nc(-c2cccnc2)n1 ZINC000089851320 569166230 /nfs/dbraw/zinc/16/62/30/569166230.db2.gz XOQLJCBHGOGAOL-MRXNPFEDSA-N 0 1 437.429 4.684 50 0 IJAAMN COc1ccc(C[C@@H]2c3cc(OC)c(OC(=O)c4ccccc4)cc3CCN2C)cc1OC ZINC000019910097 569257171 /nfs/dbraw/zinc/25/71/71/569257171.db2.gz LMIHIXIVXAJHEY-JOCHJYFZSA-N 0 1 447.531 4.703 50 0 IJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000020240737 569357806 /nfs/dbraw/zinc/35/78/06/569357806.db2.gz DBAJSYNFLYZLJK-UHFFFAOYSA-N 0 1 437.971 4.874 50 0 IJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)c(Cl)c3)[nH]n2)cc2c1cccc2OC ZINC000096398645 569399802 /nfs/dbraw/zinc/39/98/02/569399802.db2.gz QOGAVZZFBXQJDW-UHFFFAOYSA-N 0 1 438.915 4.903 50 0 IJAAMN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000002638717 569413439 /nfs/dbraw/zinc/41/34/39/569413439.db2.gz HNYCSMXXFOBUPF-UHFFFAOYSA-N 0 1 431.359 4.836 50 0 IJAAMN COc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1OC(F)F ZINC000029326509 569429730 /nfs/dbraw/zinc/42/97/30/569429730.db2.gz PTFHROSDLZHQDY-UHFFFAOYSA-N 0 1 442.665 4.513 50 0 IJAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000057318515 569430986 /nfs/dbraw/zinc/43/09/86/569430986.db2.gz GBOIMQVXKWJHMC-IBGZPJMESA-N 0 1 434.533 4.500 50 0 IJAAMN COc1ccc([C@H](C)NCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1Br ZINC000057336039 569431260 /nfs/dbraw/zinc/43/12/60/569431260.db2.gz VDDIEAVYJLEZJD-LBPRGKRZSA-N 0 1 441.753 4.717 50 0 IJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)NCCC(c1ccccc1)c1ccccc1 ZINC000003345339 569447027 /nfs/dbraw/zinc/44/70/27/569447027.db2.gz NXCHSHBJGAZLEL-UHFFFAOYSA-N 0 1 434.590 4.964 50 0 IJAAMN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000032102497 569460130 /nfs/dbraw/zinc/46/01/30/569460130.db2.gz WAIHJFGJSJYIFM-DEOSSOPVSA-N 0 1 431.561 4.840 50 0 IJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008845138 569478685 /nfs/dbraw/zinc/47/86/85/569478685.db2.gz OZCAYUMAAGJHRZ-VWLOTQADSA-N 0 1 440.503 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O=C(c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000003217963 562932868 /nfs/dbraw/zinc/93/28/68/562932868.db2.gz LTKCZIBNVQWRQV-UHFFFAOYSA-N 0 1 446.450 4.709 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982996 568623995 /nfs/dbraw/zinc/62/39/95/568623995.db2.gz KKUCECPWFGEDIC-WOJBJXKFSA-N 0 1 448.966 4.650 50 0 IJAAMN O[C@H](Cc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983530 568624030 /nfs/dbraw/zinc/62/40/30/568624030.db2.gz RRIOKYSTFVNGIJ-JWQCQUIFSA-N 0 1 434.967 4.939 50 0 IJAAMN CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(-c2ccccc2)c1CN(C)C ZINC000085393766 568816959 /nfs/dbraw/zinc/81/69/59/568816959.db2.gz KRCXCSGTCHKIHH-UHFFFAOYSA-N 0 1 429.520 4.939 50 0 IJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cccc(OC)c3)C(=O)N2CCCOC(C)C)cc1 ZINC000085409654 568817871 /nfs/dbraw/zinc/81/78/71/568817871.db2.gz CQYDPNCNLOXLFP-VWLOTQADSA-N 0 1 449.551 4.844 50 0 IJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000006146750 568846191 /nfs/dbraw/zinc/84/61/91/568846191.db2.gz AYBOUAGLWOXCFH-UHFFFAOYSA-N 0 1 429.567 4.802 50 0 IJAAMN COc1ccc(CC(=O)Nc2cccc(CCc3nc4ccc(C)cc4[nH]3)c2)cc1OC ZINC000015863578 568849238 /nfs/dbraw/zinc/84/92/38/568849238.db2.gz BVUTXINPFXKSAW-UHFFFAOYSA-N 0 1 429.520 4.855 50 0 IJAAMN COc1ccc(NC(=O)c2ccoc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000016226337 568873465 /nfs/dbraw/zinc/87/34/65/568873465.db2.gz MNIVPCOFBCYIPT-UHFFFAOYSA-N 0 1 441.292 4.648 50 0 IJAAMN Oc1c(Br)cc(C=NNc2cccc3cccnc32)c(Br)c1O ZINC000252616841 568926304 /nfs/dbraw/zinc/92/63/04/568926304.db2.gz KGRIBSOEMMNEPC-UHFFFAOYSA-N 0 1 437.091 4.617 50 0 IJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Br)c3)c(C)n2C)sc1C ZINC000064668362 568943260 /nfs/dbraw/zinc/94/32/60/568943260.db2.gz VQOHTHNUQWINGE-UHFFFAOYSA-N 0 1 440.388 4.637 50 0 IJAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036096018 568951546 /nfs/dbraw/zinc/95/15/46/568951546.db2.gz UXXSAGWARRZNRR-HSZRJFAPSA-N 0 1 439.527 4.593 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146324 568962132 /nfs/dbraw/zinc/96/21/32/568962132.db2.gz JGCGLNCYQQGSIF-YADHBBJMSA-N 0 1 448.966 4.650 50 0 IJAAMN CC(C)COC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146021 568962266 /nfs/dbraw/zinc/96/22/66/568962266.db2.gz LFCJHFQREYYLMF-PKTZIBPZSA-N 0 1 448.966 4.508 50 0 IJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036308512 568996350 /nfs/dbraw/zinc/99/63/50/568996350.db2.gz DWDYZABAECQTBZ-HSZRJFAPSA-N 0 1 437.584 4.971 50 0 IJAAMN Cc1c(C(=O)Nc2ccc(CN3CCSCC3)cc2)cnn1-c1cccc(Cl)c1 ZINC000065565292 569139385 /nfs/dbraw/zinc/13/93/85/569139385.db2.gz DXBWMXGWRSQLPB-UHFFFAOYSA-N 0 1 426.973 4.635 50 0 IJAAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)c2nnc[nH]2)cc1F ZINC000095467784 569371230 /nfs/dbraw/zinc/37/12/30/569371230.db2.gz GJBQVVPTAROJPZ-KRWDZBQOSA-N 0 1 434.519 4.826 50 0 IJAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc2[nH]ccc21 ZINC000096115296 569383120 /nfs/dbraw/zinc/38/31/20/569383120.db2.gz HHSMFRIXBFYVIR-UHFFFAOYSA-N 0 1 426.428 4.664 50 0 biogenic IJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)[nH]n2)cc2cc(OC)ccc21 ZINC000096398603 569399652 /nfs/dbraw/zinc/39/96/52/569399652.db2.gz BUXLRRKYGAMVJF-UHFFFAOYSA-N 0 1 438.915 4.903 50 0 IJAAMN O=C(NCCC1=CCCCC1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002971028 569433388 /nfs/dbraw/zinc/43/33/88/569433388.db2.gz ZRKZEUAIMYUWRW-UHFFFAOYSA-N 0 1 425.598 4.872 50 0 IJAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(F)c(Cl)c1 ZINC000003399327 569449548 /nfs/dbraw/zinc/44/95/48/569449548.db2.gz DZOGDBHIHQOPAF-UHFFFAOYSA-N 0 1 441.713 4.758 50 0 IJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000008961058 569490884 /nfs/dbraw/zinc/49/08/84/569490884.db2.gz LNBDFBQLDFXQLF-UHFFFAOYSA-N 0 1 438.505 4.577 50 0 IJAAMN CN1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)c(C(F)(F)F)c2)CC1 ZINC000040142764 569491877 /nfs/dbraw/zinc/49/18/77/569491877.db2.gz RWHFPTVLJFZPHL-UHFFFAOYSA-N 0 1 425.882 4.682 50 0 IJAAMN COC(=O)c1cc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)ccc1Cl ZINC000040287811 569498312 /nfs/dbraw/zinc/49/83/12/569498312.db2.gz DDJABVMTPJRVEH-IBGZPJMESA-N 0 1 445.306 4.683 50 0 IJAAMN O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000245228166 569499761 /nfs/dbraw/zinc/49/97/61/569499761.db2.gz ICEBFHLIAHJSLW-QAPCUYQASA-N 0 1 433.371 4.636 50 0 IJAAMN O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000245228166 569499762 /nfs/dbraw/zinc/49/97/62/569499762.db2.gz ICEBFHLIAHJSLW-QAPCUYQASA-N 0 1 433.371 4.636 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@H]2c2ccccc2)cc1 ZINC000009124137 569504267 /nfs/dbraw/zinc/50/42/67/569504267.db2.gz NWJSPVDMIRWQLK-RUZDIDTESA-N 0 1 443.478 4.718 50 0 IJAAMN CC(C)CN1c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009172464 569509527 /nfs/dbraw/zinc/50/95/27/569509527.db2.gz WWFWSFUZXRSKGN-UHFFFAOYSA-N 0 1 436.961 4.548 50 0 IJAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009409021 569530781 /nfs/dbraw/zinc/53/07/81/569530781.db2.gz NNUZTDKXRCJVAJ-RUZDIDTESA-N 0 1 441.487 4.766 50 0 IJAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)c1 ZINC000009409035 569530825 /nfs/dbraw/zinc/53/08/25/569530825.db2.gz XJMUOODERQCNIM-XMMPIXPASA-N 0 1 435.524 4.543 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(F)cc3)nn2[C@@H]1c1cccs1 ZINC000009597283 569550896 /nfs/dbraw/zinc/55/08/96/569550896.db2.gz XGMMICZSXDEGCS-QGZVFWFLSA-N 0 1 430.530 4.623 50 0 IJAAMN CCOc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2CCOC)cc1 ZINC000009601573 569551663 /nfs/dbraw/zinc/55/16/63/569551663.db2.gz VSOYLWATFWSECL-UHFFFAOYSA-N 0 1 430.346 4.970 50 0 IJAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778707 569567341 /nfs/dbraw/zinc/56/73/41/569567341.db2.gz JKLHNYMZWYYLSX-NHCUHLMSSA-N 0 1 434.854 4.540 50 0 IJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009781134 569567586 /nfs/dbraw/zinc/56/75/86/569567586.db2.gz GGQAVGUGWPMYDR-UHFFFAOYSA-N 0 1 435.578 4.580 50 0 IJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009951177 569574460 /nfs/dbraw/zinc/57/44/60/569574460.db2.gz ODVIFSPKPJDFEH-KRWDZBQOSA-N 0 1 430.555 4.732 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(C)c2)c1 ZINC000009971076 569576279 /nfs/dbraw/zinc/57/62/79/569576279.db2.gz BHCZNVJJMCIVBA-UHFFFAOYSA-N 0 1 430.913 4.710 50 0 IJAAMN Cc1ccc2nc(C)c(C(=O)Nc3ccccc3NS(=O)(=O)c3ccccc3)cc2c1 ZINC000071846810 569582385 /nfs/dbraw/zinc/58/23/85/569582385.db2.gz JCXCNGFHYRYSJD-UHFFFAOYSA-N 0 1 431.517 4.905 50 0 IJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177413 569585786 /nfs/dbraw/zinc/58/57/86/569585786.db2.gz SFPFRFLKNLOFOK-INIZCTEOSA-N 0 1 433.512 4.754 50 0 IJAAMN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c1C ZINC000002828244 132257318 /nfs/dbraw/zinc/25/73/18/132257318.db2.gz KKUKDUBNUOMVMF-UHFFFAOYSA-N 0 1 426.004 4.518 50 0 IJAAMN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2n[nH]c3c2CCCC3)cc1 ZINC000012447363 519011837 /nfs/dbraw/zinc/01/18/37/519011837.db2.gz MLNQDIQUUVYKGD-QFIPXVFZSA-N 0 1 445.611 4.898 50 0 IJAAMN CC(C)CC(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000035835155 519575489 /nfs/dbraw/zinc/57/54/89/519575489.db2.gz CXWZHHXTXRMKQE-OAQYLSRUSA-N 0 1 429.511 4.599 50 0 IJAAMN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)cc1 ZINC000012430680 521925983 /nfs/dbraw/zinc/92/59/83/521925983.db2.gz ZLSYQRMEDGRMAJ-NRFANRHFSA-N 0 1 434.471 4.789 50 0 IJAAMN COC(=O)c1sc2nc(CN3CCCC[C@@H]3C)ccc2c1NC(=O)c1cccc(F)c1 ZINC000012247896 522434281 /nfs/dbraw/zinc/43/42/81/522434281.db2.gz ZWAKXGLTIMEEFR-AWEZNQCLSA-N 0 1 441.528 4.849 50 0 IJAAMN CC[C@@H](NCc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21)c1ccc(F)cc1 ZINC000012317381 522870148 /nfs/dbraw/zinc/87/01/48/522870148.db2.gz QULXSCUSIJKTQJ-JOCHJYFZSA-N 0 1 430.527 4.987 50 0 IJAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000012387067 523629131 /nfs/dbraw/zinc/62/91/31/523629131.db2.gz BMILDGITLLJQAF-UHFFFAOYSA-N 0 1 428.960 4.628 50 0 IJAAMN CCn1ncc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)c1C ZINC000012701384 523690446 /nfs/dbraw/zinc/69/04/46/523690446.db2.gz CUULPIPOBHNEBC-UHFFFAOYSA-N 0 1 445.007 4.534 50 0 IJAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000035372559 524231039 /nfs/dbraw/zinc/23/10/39/524231039.db2.gz WUFZFVFIDIAILM-UHFFFAOYSA-N 0 1 434.609 4.607 50 0 IJAAMN COc1ccccc1[C@@H](CNC(=O)Cc1csc(-c2ccc(C)cc2C)n1)N1CCCC1 ZINC000012767279 524733722 /nfs/dbraw/zinc/73/37/22/524733722.db2.gz NUNGJYARUYQINM-HSZRJFAPSA-N 0 1 449.620 4.931 50 0 IJAAMN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000021548914 525766673 /nfs/dbraw/zinc/76/66/73/525766673.db2.gz XOLHZBHJWPZGSI-UHFFFAOYSA-N 0 1 437.750 4.927 50 0 IJAAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000022791542 526217873 /nfs/dbraw/zinc/21/78/73/526217873.db2.gz PZPJWRUHGWZFCU-QUGAMOGWSA-N 0 1 445.588 4.680 50 0 IJAAMN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020729666 526577557 /nfs/dbraw/zinc/57/75/57/526577557.db2.gz YUENKPMBMHUVFH-HXUWFJFHSA-N 0 1 428.985 4.725 50 0 IJAAMN O=C(NC[C@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1)c1ccccc1 ZINC000011840583 526588160 /nfs/dbraw/zinc/58/81/60/526588160.db2.gz WKOSZSPAHQXTJP-OAQYLSRUSA-N 0 1 432.486 4.649 50 0 IJAAMN Cn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000021357418 527114365 /nfs/dbraw/zinc/11/43/65/527114365.db2.gz DAKZGDITZXWTII-UHFFFAOYSA-N 0 1 425.941 4.813 50 0 IJAAMN CCOC(=O)c1c(C)n(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000001047131 555611239 /nfs/dbraw/zinc/61/12/39/555611239.db2.gz UWWFPFGWFNECTE-UHFFFAOYSA-N 0 1 432.929 4.725 50 0 IJAAMN Cc1cccc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4F)cc3)CC2)c1C ZINC000034684876 555820744 /nfs/dbraw/zinc/82/07/44/555820744.db2.gz MLEIWFBWUFEEGJ-UHFFFAOYSA-N 0 1 431.555 4.695 50 0 IJAAMN O=C1C2=C(C=Cc3ccccc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000008438086 556174255 /nfs/dbraw/zinc/17/42/55/556174255.db2.gz JZODCCJOWSBIEW-HAJZJEPZSA-N 0 1 427.891 4.788 50 0 IJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc([C@@H]3OCC(C)(C)[C@@H](C(C)C)O3)c2)c1 ZINC000008706600 556201141 /nfs/dbraw/zinc/20/11/41/556201141.db2.gz KHFIPJYPRSYWPQ-FGZHOGPDSA-N 0 1 449.569 4.601 50 0 IJAAMN COc1ccccc1CN1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000011933004 556376618 /nfs/dbraw/zinc/37/66/18/556376618.db2.gz YZFVKOGOCKJVLA-UHFFFAOYSA-N 0 1 430.548 4.669 50 0 IJAAMN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c(OC)c1 ZINC000012049916 556392144 /nfs/dbraw/zinc/39/21/44/556392144.db2.gz HDMJGXRXDJGOQM-QGZVFWFLSA-N 0 1 448.966 4.805 50 0 IJAAMN CCc1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012054614 556393517 /nfs/dbraw/zinc/39/35/17/556393517.db2.gz FUAGNFNQZFYFBX-NRFANRHFSA-N 0 1 430.552 4.565 50 0 IJAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000014254368 556410429 /nfs/dbraw/zinc/41/04/29/556410429.db2.gz JVIXMLXWTLXSNN-OAHLLOKOSA-N 0 1 433.474 4.667 50 0 IJAAMN COc1ccc2nc(SCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)[nH]c2c1 ZINC000032668356 556418269 /nfs/dbraw/zinc/41/82/69/556418269.db2.gz BKVJCLNORVFXTR-KRWDZBQOSA-N 0 1 438.534 4.696 50 0 IJAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1 ZINC000028022322 556441949 /nfs/dbraw/zinc/44/19/49/556441949.db2.gz UHSCNDGKVQKVCH-UHFFFAOYSA-N 0 1 442.991 4.719 50 0 IJAAMN O=C(Nc1cccc(C(=O)N2CCCN(Cc3cccs3)CC2)c1)C1CCCCC1 ZINC000028037255 556442272 /nfs/dbraw/zinc/44/22/72/556442272.db2.gz UNACADSXZMPSOJ-UHFFFAOYSA-N 0 1 425.598 4.615 50 0 IJAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000028813360 556461423 /nfs/dbraw/zinc/46/14/23/556461423.db2.gz NLJQNKVESRJSEH-UHFFFAOYSA-N 0 1 432.501 4.653 50 0 IJAAMN COC(=O)c1sc2nc(CN3CCC(C)CC3)ccc2c1NC(=O)c1ccsc1 ZINC000014993586 556476080 /nfs/dbraw/zinc/47/60/80/556476080.db2.gz YUPGXUKJRSPSMR-UHFFFAOYSA-N 0 1 429.567 4.629 50 0 IJAAMN O=C(Cc1cn2ccccc2n1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029955850 556487340 /nfs/dbraw/zinc/48/73/40/556487340.db2.gz ZYYJNZQQLIYCIH-JOCHJYFZSA-N 0 1 449.436 4.678 50 0 IJAAMN COC(=O)c1sc2nc(CN3CCCC[C@@H]3C)ccc2c1NC(=O)c1ccsc1 ZINC000015068069 556493864 /nfs/dbraw/zinc/49/38/64/556493864.db2.gz YSTHWLUAKLLDSY-ZDUSSCGKSA-N 0 1 429.567 4.771 50 0 IJAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccco1)C(C)C ZINC000034836796 556583551 /nfs/dbraw/zinc/58/35/51/556583551.db2.gz PGWPFPQEBAIALC-UHFFFAOYSA-N 0 1 435.616 4.580 50 0 IJAAMN COC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(C)cc3[nH]1)CCCCC2 ZINC000017096629 556660497 /nfs/dbraw/zinc/66/04/97/556660497.db2.gz JGABCSFHWAWXNJ-UHFFFAOYSA-N 0 1 429.567 4.719 50 0 IJAAMN O=C(CSc1n[nH]c(CC2CCCC2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000011886231 556668308 /nfs/dbraw/zinc/66/83/08/556668308.db2.gz CORRKBXMZLGAJO-FQEVSTJZSA-N 0 1 430.574 4.736 50 0 IJAAMN O=C(CSc1nc(CC2CCCC2)n[nH]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000011886231 556668312 /nfs/dbraw/zinc/66/83/12/556668312.db2.gz CORRKBXMZLGAJO-FQEVSTJZSA-N 0 1 430.574 4.736 50 0 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ZINC000006744548 557128916 /nfs/dbraw/zinc/12/89/16/557128916.db2.gz MGDLHFQNAXZSDE-QFIPXVFZSA-N 0 1 430.976 4.688 50 0 IJAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025042169 557190314 /nfs/dbraw/zinc/19/03/14/557190314.db2.gz QKKRLTTYRVEZEK-UHFFFAOYSA-N 0 1 434.849 4.711 50 0 IJAAMN CSc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018191465 557246982 /nfs/dbraw/zinc/24/69/82/557246982.db2.gz JDGAMABBGGXDNF-BDTNDASRSA-N 0 1 434.492 4.599 50 0 IJAAMN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101176622 557260778 /nfs/dbraw/zinc/26/07/78/557260778.db2.gz GIVHQZBGYVLNFQ-ZRBLBEILSA-N 0 1 448.906 4.790 50 0 IJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000100566912 557264845 /nfs/dbraw/zinc/26/48/45/557264845.db2.gz ZTJMXKJXJKCFMB-ZRBLBEILSA-N 0 1 448.906 4.708 50 0 IJAAMN C[C@H](NC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21)C(C)(C)C ZINC000023326838 557312928 /nfs/dbraw/zinc/31/29/28/557312928.db2.gz 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CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCC2)c1 ZINC000009228261 562968370 /nfs/dbraw/zinc/96/83/70/562968370.db2.gz ONTHYFRKMDJLFF-UHFFFAOYSA-N 0 1 425.554 4.609 50 0 IJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009243694 562968439 /nfs/dbraw/zinc/96/84/39/562968439.db2.gz KHEFPWFHLNTGCL-RUZDIDTESA-N 0 1 443.478 4.718 50 0 IJAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000001185659 568736163 /nfs/dbraw/zinc/73/61/63/568736163.db2.gz QFZDNZCSUILOQI-UHFFFAOYSA-N 0 1 430.913 4.710 50 0 IJAAMN CCc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@H]2c2cccnc2)cc1 ZINC000001404888 568786930 /nfs/dbraw/zinc/78/69/30/568786930.db2.gz YPWJEJZKMYAZNV-RUZDIDTESA-N 0 1 442.950 4.732 50 0 IJAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982986 568838755 /nfs/dbraw/zinc/83/87/55/568838755.db2.gz RCQYMXALWDNTNU-LEWJYISDSA-N 0 1 448.966 4.508 50 0 IJAAMN Cc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146786 568846292 /nfs/dbraw/zinc/84/62/92/568846292.db2.gz RPMRJEDNNZWVRI-UHFFFAOYSA-N 0 1 445.338 4.811 50 0 IJAAMN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000016122792 568871099 /nfs/dbraw/zinc/87/10/99/568871099.db2.gz DMQPXXMSNNZZRQ-UHFFFAOYSA-N 0 1 434.867 4.642 50 0 IJAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N21 ZINC000229612107 568886725 /nfs/dbraw/zinc/88/67/25/568886725.db2.gz LEHDGEHPOHUFBQ-OSSDZZHWSA-N 0 1 448.522 4.639 50 0 IJAAMN CSc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064557859 568931996 /nfs/dbraw/zinc/93/19/96/568931996.db2.gz HWFVNBOTKOIDMO-HXUWFJFHSA-N 0 1 437.542 4.740 50 0 IJAAMN C[C@@H]1CCc2sc3ncnc(N4CCN(CCOc5ccc(Cl)cc5)CC4)c3c2C1 ZINC000054290472 568937024 /nfs/dbraw/zinc/93/70/24/568937024.db2.gz DVULIVOJNMMJIE-MRXNPFEDSA-N 0 1 443.016 4.671 50 0 IJAAMN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000036146063 568962087 /nfs/dbraw/zinc/96/20/87/568962087.db2.gz 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CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N1CCC(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000013353516 569313316 /nfs/dbraw/zinc/31/33/16/569313316.db2.gz MPRMKWSIWYJWLY-YOSAUDMPSA-N 0 1 427.633 4.744 50 0 IJAAMN CCOC(=O)c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000020032537 569332520 /nfs/dbraw/zinc/33/25/20/569332520.db2.gz KXDXJDSJIDTTEQ-UHFFFAOYSA-N 0 1 448.363 4.835 50 0 IJAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N[C@@H]4CCC[C@@H](C)[C@@H]4C)ccc3n2)CC1 ZINC000020153518 569353560 /nfs/dbraw/zinc/35/35/60/569353560.db2.gz BBKFSQKHUCOXND-ZWCUEREDSA-N 0 1 439.673 4.796 50 0 IJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)Nc4cccc(C)c4C)c3=O)c2c1 ZINC000020330504 569360836 /nfs/dbraw/zinc/36/08/36/569360836.db2.gz IHTWURPKKMTPHW-UHFFFAOYSA-N 0 1 436.537 4.585 50 0 IJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NC4CCCCC4)c3=O)c2c1 ZINC000020329032 569360862 /nfs/dbraw/zinc/36/08/62/569360862.db2.gz OJZAVEUWEVGNRY-UHFFFAOYSA-N 0 1 442.585 4.558 50 0 IJAAMN 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446.370 4.871 50 0 IJAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000009953535 569574688 /nfs/dbraw/zinc/57/46/88/569574688.db2.gz ILGUAXRVWBVSGD-UHFFFAOYSA-N 0 1 439.356 4.690 50 0 IJAAMN CCOc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc4ccccc43)c2C)cc1 ZINC000017099643 569586927 /nfs/dbraw/zinc/58/69/27/569586927.db2.gz LCCGEJRKWUCJBJ-UHFFFAOYSA-N 0 1 435.549 4.901 50 0 IJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000020240998 569587088 /nfs/dbraw/zinc/58/70/88/569587088.db2.gz NHTISZJMBBWETH-KRWDZBQOSA-N 0 1 429.973 4.893 50 0 IJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCc2cccs2)C1 ZINC000020240996 569587107 /nfs/dbraw/zinc/58/71/07/569587107.db2.gz NHTISZJMBBWETH-QGZVFWFLSA-N 0 1 429.973 4.893 50 0 IJAAMN O=C(CCCCc1ccccc1)Nc1ccc(N2CCC(NCc3ccon3)CC2)cc1 ZINC000011788810 132339854 /nfs/dbraw/zinc/33/98/54/132339854.db2.gz QOFURXQHNAWQEH-UHFFFAOYSA-N 0 1 432.568 4.785 50 0 IJAAMN CC(C)c1cc(CN2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)n[nH]1 ZINC000012314180 519832944 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425.532 4.701 50 0 IJAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000009767892 535746396 /nfs/dbraw/zinc/74/63/96/535746396.db2.gz LYZQIPFKRMTPIH-UHFFFAOYSA-N 0 1 437.975 4.537 50 0 IJAAMN CCc1ccc(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)cc1 ZINC000008684825 536184379 /nfs/dbraw/zinc/18/43/79/536184379.db2.gz OQXDAJDALYZATH-UHFFFAOYSA-N 0 1 442.519 4.714 50 0 IJAAMN CCOC(=O)[C@@]1(CC(=O)c2ccc(F)cc2)C(=O)Oc2ccccc2[C@H]1c1ccccc1 ZINC000001158459 555660468 /nfs/dbraw/zinc/66/04/68/555660468.db2.gz XDNIGSIBLAUGCL-BVAGGSTKSA-N 0 1 432.447 4.699 50 0 IJAAMN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccccc1Cl)C(F)(F)F ZINC000002050631 555728937 /nfs/dbraw/zinc/72/89/37/555728937.db2.gz ACRFUPJWBLIXNF-QGZVFWFLSA-N 0 1 435.229 4.657 50 0 IJAAMN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3Cl)CC2)nc1 ZINC000034681753 555815326 /nfs/dbraw/zinc/81/53/26/555815326.db2.gz YFFHERXJGVBKED-UHFFFAOYSA-N 0 1 434.971 4.629 50 0 IJAAMN CC(C)(C)C(=O)Nc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681848 555815341 /nfs/dbraw/zinc/81/53/41/555815341.db2.gz CVHFMJXDGVRQDO-UHFFFAOYSA-N 0 1 434.506 4.797 50 0 IJAAMN CC(=O)C1(c2ccccc2)CCN(Cc2cccc(C(=O)NCc3ccccc3F)c2)CC1 ZINC000034684982 555820523 /nfs/dbraw/zinc/82/05/23/555820523.db2.gz YOVMXUFXHYKITI-UHFFFAOYSA-N 0 1 444.550 4.879 50 0 IJAAMN CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N2CCCCC2)[C@H]1OC(=O)c1ccccc1 ZINC000003147094 555892027 /nfs/dbraw/zinc/89/20/27/555892027.db2.gz ANSUFJPIOTXFKW-LADGPHEKSA-N 0 1 433.504 4.717 50 0 IJAAMN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN(C)C ZINC000005222178 556038103 /nfs/dbraw/zinc/03/81/03/556038103.db2.gz WILZNSGPHFGHJX-UHFFFAOYSA-N 0 1 431.330 4.640 50 0 biogenic IJAAMN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000011663924 556344863 /nfs/dbraw/zinc/34/48/63/556344863.db2.gz ZZKQYZLNVNCBIQ-VWLOTQADSA-N 0 1 426.520 4.955 50 0 IJAAMN COc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cccn1 ZINC000011699737 556347203 /nfs/dbraw/zinc/34/72/03/556347203.db2.gz JVNKLTXVWJXWLJ-QHCPKHFHSA-N 0 1 447.579 4.822 50 0 IJAAMN COC(=O)c1sc2cc(NC(=O)c3cc(-c4cccc(OC)c4)n[nH]3)ccc2c1Cl ZINC000013960123 556347386 /nfs/dbraw/zinc/34/73/86/556347386.db2.gz DXSREIVKJBFFES-UHFFFAOYSA-N 0 1 441.896 4.992 50 0 IJAAMN COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)cc1C ZINC000012302409 556403354 /nfs/dbraw/zinc/40/33/54/556403354.db2.gz NFTYPUCRQOSTLA-OAQYLSRUSA-N 0 1 431.536 4.989 50 0 IJAAMN COc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)c(F)c1 ZINC000012429275 556404320 /nfs/dbraw/zinc/40/43/20/556404320.db2.gz SUIYKPILFQXJIS-UHFFFAOYSA-N 0 1 425.529 4.809 50 0 IJAAMN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)no2)cc1 ZINC000032622776 556409949 /nfs/dbraw/zinc/40/99/49/556409949.db2.gz JHHDVJZIUVLFJY-FQEVSTJZSA-N 0 1 425.554 4.759 50 0 IJAAMN O=C(Nc1cc(Cl)ccc1C(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccs1 ZINC000012984095 556426046 /nfs/dbraw/zinc/42/60/46/556426046.db2.gz LPDAYRVBMIBUJK-GOSISDBHSA-N 0 1 443.956 4.814 50 0 IJAAMN C[C@H](NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1CN(C)C)c1ccco1 ZINC000014995422 556477537 /nfs/dbraw/zinc/47/75/37/556477537.db2.gz CDXZHNQEUZGDRM-INIZCTEOSA-N 0 1 435.549 4.874 50 0 IJAAMN Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cs1 ZINC000029957011 556487301 /nfs/dbraw/zinc/48/73/01/556487301.db2.gz NWABSGTYFLBGEZ-IBGZPJMESA-N 0 1 430.455 4.795 50 0 IJAAMN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NS(=O)(=O)c1ccc(C)cc1F)C(F)(F)F ZINC000072307499 556562548 /nfs/dbraw/zinc/56/25/48/556562548.db2.gz MXVCJSGBRFYODE-LJQANCHMSA-N 0 1 441.450 4.519 50 0 IJAAMN Cc1c(Cl)cccc1N1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000016780689 556641622 /nfs/dbraw/zinc/64/16/22/556641622.db2.gz JSOBWSPBBCRFRJ-QHCPKHFHSA-N 0 1 436.983 4.877 50 0 IJAAMN C[C@@H]1CCC[C@@H](NC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)[C@@H]1C ZINC000004599099 556665772 /nfs/dbraw/zinc/66/57/72/556665772.db2.gz YSZCNTBANITDNB-JFQIGJKKSA-N 0 1 427.614 4.806 50 0 IJAAMN Cc1ccc2nc(NC(=O)c3cn[nH]c3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2c1 ZINC000252491641 556690532 /nfs/dbraw/zinc/69/05/32/556690532.db2.gz LPBUBXGQIFYYLZ-AWEZNQCLSA-N 0 1 441.557 4.695 50 0 IJAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1)N1CCCCCC1 ZINC000058438701 556788426 /nfs/dbraw/zinc/78/84/26/556788426.db2.gz UALCPGSYUCAZEZ-UHFFFAOYSA-N 0 1 425.913 4.688 50 0 IJAAMN CC1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(Cl)cc2Cl)CC1 ZINC000003292293 556806857 /nfs/dbraw/zinc/80/68/57/556806857.db2.gz IZRPXVSTSPOWTG-UHFFFAOYSA-N 0 1 445.343 4.805 50 0 IJAAMN CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(OC)cc3)cc2n1 ZINC000033126305 556867066 /nfs/dbraw/zinc/86/70/66/556867066.db2.gz MRKRFNATWYXGGS-UHFFFAOYSA-N 0 1 446.551 4.509 50 0 IJAAMN CC(=O)c1cccc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000019954088 556954569 /nfs/dbraw/zinc/95/45/69/556954569.db2.gz ACYPPMWNYDPXTR-DEOSSOPVSA-N 0 1 445.529 4.695 50 0 IJAAMN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 ZINC000046057062 557028690 /nfs/dbraw/zinc/02/86/90/557028690.db2.gz WABIYECNXMNIDP-GOSISDBHSA-N 0 1 438.325 4.814 50 0 IJAAMN Cc1nn(-c2ccc(Br)cc2)c2c1C(=C(O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057001 557028697 /nfs/dbraw/zinc/02/86/97/557028697.db2.gz IUNXDSBILJFPTP-SFHVURJKSA-N 0 1 438.325 4.869 50 0 IJAAMN O=C(CCc1nc(CSc2nc3ccc(Cl)cc3[nH]2)no1)Nc1c(F)cccc1F ZINC000033271007 557048637 /nfs/dbraw/zinc/04/86/37/557048637.db2.gz JIUFGNAXHFWBCO-UHFFFAOYSA-N 0 1 449.870 4.741 50 0 IJAAMN CCOc1ccc(Oc2ccc(S(=O)(=O)N(C3CC3)C3CCN(CC)CC3)cc2)cc1 ZINC000048309483 557059901 /nfs/dbraw/zinc/05/99/01/557059901.db2.gz GXUIWPUHCHYZNS-UHFFFAOYSA-N 0 1 444.597 4.515 50 0 IJAAMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000085817296 557077445 /nfs/dbraw/zinc/07/74/45/557077445.db2.gz RJPQMVZCEOACKV-MRXNPFEDSA-N 0 1 427.386 4.609 50 0 IJAAMN O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023873135 557122083 /nfs/dbraw/zinc/12/20/83/557122083.db2.gz VRJIARCVQYLUSK-VWLOTQADSA-N 0 1 436.983 4.629 50 0 IJAAMN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCN(Cc4ccc(C)cc4)CC3)c12 ZINC000023243774 557123301 /nfs/dbraw/zinc/12/33/01/557123301.db2.gz URLVFJFAVVFALQ-UHFFFAOYSA-N 0 1 440.547 4.855 50 0 IJAAMN COc1cccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)c1 ZINC000027343148 557260394 /nfs/dbraw/zinc/26/03/94/557260394.db2.gz TYSSLULBPGSSAP-OAQYLSRUSA-N 0 1 425.916 4.571 50 0 IJAAMN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000027662209 557268965 /nfs/dbraw/zinc/26/89/65/557268965.db2.gz VVYWHXKACDQDDQ-QFIPXVFZSA-N 0 1 439.987 4.730 50 0 IJAAMN Cc1ccc2nc(CNC(=O)c3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2c1 ZINC000033278976 557329240 /nfs/dbraw/zinc/32/92/40/557329240.db2.gz NVQXOJTXLJNDIP-UHFFFAOYSA-N 0 1 427.439 4.657 50 0 IJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912710 557547379 /nfs/dbraw/zinc/54/73/79/557547379.db2.gz NEMUHWGWMHPUNM-UHFFFAOYSA-N 0 1 448.636 4.979 50 0 IJAAMN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226990619 557811662 /nfs/dbraw/zinc/81/16/62/557811662.db2.gz LBRWZPVCECDHRK-YTFSRNRJSA-N 0 1 448.906 4.708 50 0 IJAAMN C[C@](O)(COc1ccccc1)c1ccc2c(c1)CN(Cc1cccc3cccnc31)CCO2 ZINC000012028311 562980416 /nfs/dbraw/zinc/98/04/16/562980416.db2.gz CKZVWYBIJPVKST-NDEPHWFRSA-N 0 1 440.543 4.916 50 0 IJAAMN Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000015074224 563017593 /nfs/dbraw/zinc/01/75/93/563017593.db2.gz YWFLWLKDSWNFJN-QHCPKHFHSA-N 0 1 442.607 4.587 50 0 IJAAMN CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc54)cc4n[nH]cc43)o2)CC1 ZINC000095564436 563183189 /nfs/dbraw/zinc/18/31/89/563183189.db2.gz MCIDWGZGWVSZMK-UHFFFAOYSA-N 0 1 440.551 4.892 50 0 in-vitro IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984463 568623198 /nfs/dbraw/zinc/62/31/98/568623198.db2.gz GJEGMAMBLPROLE-WOJBJXKFSA-N 0 1 448.966 4.650 50 0 IJAAMN O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000018992440 568631188 /nfs/dbraw/zinc/63/11/88/568631188.db2.gz CQZIXCZVUDGKAX-INIZCTEOSA-N 0 1 447.299 4.517 50 0 IJAAMN CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1OCC ZINC000003435896 568749446 /nfs/dbraw/zinc/74/94/46/568749446.db2.gz CQUXCWPQJDEAST-UHFFFAOYSA-N 0 1 434.739 4.701 50 0 IJAAMN Clc1ccc(-c2cc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)[nH]n2)cc1Cl ZINC000002802510 568789428 /nfs/dbraw/zinc/78/94/28/568789428.db2.gz OHHMOVLCKUZWPK-UHFFFAOYSA-N 0 1 447.289 4.827 50 0 IJAAMN CCOC(=O)C1=C(CNc2ccc(C)c(Cl)c2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001423288 568793560 /nfs/dbraw/zinc/79/35/60/568793560.db2.gz BGPUZZZKKFICPH-NRFANRHFSA-N 0 1 427.932 4.548 50 0 IJAAMN COc1cc(C(=O)Nc2cccc(CCc3nc4ccc(C)cc4[nH]3)c2)cc(OC)c1OC ZINC000015863591 568849280 /nfs/dbraw/zinc/84/92/80/568849280.db2.gz FDKRLLAOVJITLE-UHFFFAOYSA-N 0 1 445.519 4.935 50 0 IJAAMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000063811034 568850811 /nfs/dbraw/zinc/85/08/11/568850811.db2.gz PMEYBJDHWGBGEP-INIZCTEOSA-N 0 1 430.327 4.738 50 0 IJAAMN COc1cccc([C@@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)N2CCCC2)c1 ZINC000013010747 568900180 /nfs/dbraw/zinc/90/01/80/568900180.db2.gz UJWSXWZSDWIZMQ-OAQYLSRUSA-N 0 1 442.357 4.506 50 0 IJAAMN CCCC[C@H](CC)CNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000248151284 568902579 /nfs/dbraw/zinc/90/25/79/568902579.db2.gz HDWMZLOXEHLERX-IDCRYQTOSA-N 0 1 430.633 4.696 50 0 biogenic IJAAMN Cc1ccc(OCCN2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)cc1 ZINC000054074896 568917462 /nfs/dbraw/zinc/91/74/62/568917462.db2.gz OTDFMBXTCGGDJF-UHFFFAOYSA-N 0 1 436.606 4.929 50 0 IJAAMN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000064557949 568931931 /nfs/dbraw/zinc/93/19/31/568931931.db2.gz BIDXWEGUTVUHIA-OAQYLSRUSA-N 0 1 437.492 4.720 50 0 IJAAMN Cc1nn2c(nc3c(c2N2CCN(Cc4ccccc4)CC2)CCCC3)c1-c1ccccc1 ZINC000054284501 568935162 /nfs/dbraw/zinc/93/51/62/568935162.db2.gz OLBXUSHQUKIDCA-UHFFFAOYSA-N 0 1 437.591 4.906 50 0 IJAAMN COc1ccccc1C1=NN(C(=O)CN2CCCC[C@H]2C)[C@@H](c2ccccc2Cl)C1 ZINC000169678052 568990490 /nfs/dbraw/zinc/99/04/90/568990490.db2.gz MDYUVQJJKIKMAP-VGOFRKELSA-N 0 1 425.960 4.901 50 0 IJAAMN COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036343451 569080376 /nfs/dbraw/zinc/08/03/76/569080376.db2.gz FRMOZDFEGHFFQN-VWLOTQADSA-N 0 1 449.595 4.730 50 0 IJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCC ZINC000036345933 569080788 /nfs/dbraw/zinc/08/07/88/569080788.db2.gz BMRGXNPHMJOYHW-QHCPKHFHSA-N 0 1 437.584 4.891 50 0 IJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036345871 569080850 /nfs/dbraw/zinc/08/08/50/569080850.db2.gz DRRGDYPUKSYHRT-HSZRJFAPSA-N 0 1 437.584 4.889 50 0 IJAAMN Cc1c(S(=O)(=O)Nc2cccnc2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000065008739 569087731 /nfs/dbraw/zinc/08/77/31/569087731.db2.gz HAQNCBAEDIBIFQ-UHFFFAOYSA-N 0 1 444.969 4.973 50 0 IJAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2oc1C(=O)N1CCCC1 ZINC000065010549 569088212 /nfs/dbraw/zinc/08/82/12/569088212.db2.gz JZXVNBCFEGYTCO-UHFFFAOYSA-N 0 1 426.538 4.703 50 0 IJAAMN O=C(CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089851309 569166152 /nfs/dbraw/zinc/16/61/52/569166152.db2.gz DXOQCIJGMHCJGW-KRWDZBQOSA-N 0 1 449.864 4.920 50 0 IJAAMN O=C(CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089851309 569166154 /nfs/dbraw/zinc/16/61/54/569166154.db2.gz DXOQCIJGMHCJGW-KRWDZBQOSA-N 0 1 449.864 4.920 50 0 IJAAMN Cc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000037560599 569201064 /nfs/dbraw/zinc/20/10/64/569201064.db2.gz FYEZXBNLIPIXSP-UHFFFAOYSA-N 0 1 438.568 4.994 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n2)cc1 ZINC000013121449 569311122 /nfs/dbraw/zinc/31/11/22/569311122.db2.gz HRKGAIMVNUVFRY-UHFFFAOYSA-N 0 1 443.504 4.913 50 0 IJAAMN O=C(COc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095351107 569362014 /nfs/dbraw/zinc/36/20/14/569362014.db2.gz DJRAGDMRXWOBQF-UHFFFAOYSA-N 0 1 426.866 4.518 50 0 IJAAMN COc1ccc(Sc2nsc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)n2)cc1 ZINC000080345361 569362708 /nfs/dbraw/zinc/36/27/08/569362708.db2.gz PWRXOKIKUMWYGT-UHFFFAOYSA-N 0 1 440.506 4.614 50 0 IJAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCc5ccc(F)cc5)C4=O)cc3)sc2c1 ZINC000095483049 569374495 /nfs/dbraw/zinc/37/44/95/569374495.db2.gz UYLAQJQUBDUMIL-NRFANRHFSA-N 0 1 445.519 4.833 50 0 IJAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096116129 569383659 /nfs/dbraw/zinc/38/36/59/569383659.db2.gz AUJSPHVWNGIRFQ-MRXNPFEDSA-N 0 1 444.439 4.624 50 0 biogenic IJAAMN O=c1oc(-c2ccccc2NS(=O)(=O)c2cccc3ccccc32)nc2ccccc21 ZINC000003074170 569439832 /nfs/dbraw/zinc/43/98/32/569439832.db2.gz UWPGBZMLNXLHSK-UHFFFAOYSA-N 0 1 428.469 4.809 50 0 IJAAMN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000032093161 569459738 /nfs/dbraw/zinc/45/97/38/569459738.db2.gz WNYAWGCDQLZISA-DEOSSOPVSA-N 0 1 433.939 4.918 50 0 IJAAMN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000032102499 569460152 /nfs/dbraw/zinc/46/01/52/569460152.db2.gz WAIHJFGJSJYIFM-XMMPIXPASA-N 0 1 431.561 4.840 50 0 IJAAMN CN(C)[C@@H](CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccsc1 ZINC000040071014 569485707 /nfs/dbraw/zinc/48/57/07/569485707.db2.gz KCGQTGLDGIPFAD-NRFANRHFSA-N 0 1 436.606 4.949 50 0 IJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 ZINC000008961334 569490977 /nfs/dbraw/zinc/49/09/77/569490977.db2.gz FKISQXMDOJHVFC-UHFFFAOYSA-N 0 1 444.896 4.816 50 0 IJAAMN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(-c2nnc(C3CC3)[nH]2)c1 ZINC000040150961 569493229 /nfs/dbraw/zinc/49/32/29/569493229.db2.gz CPOLYAWIDATTDX-UHFFFAOYSA-N 0 1 440.429 4.665 50 0 IJAAMN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000245326478 569503635 /nfs/dbraw/zinc/50/36/35/569503635.db2.gz FIIAQODDCVBTTN-NLFFAJNJSA-N 0 1 449.595 4.873 50 0 IJAAMN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCCC[C@H]2C)c1 ZINC000245326478 569503636 /nfs/dbraw/zinc/50/36/36/569503636.db2.gz FIIAQODDCVBTTN-NLFFAJNJSA-N 0 1 449.595 4.873 50 0 IJAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)o1 ZINC000009244638 569515094 /nfs/dbraw/zinc/51/50/94/569515094.db2.gz VVMBKVPBXHLQKU-NRFANRHFSA-N 0 1 430.508 4.601 50 0 IJAAMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1 ZINC000009376369 569527340 /nfs/dbraw/zinc/52/73/40/569527340.db2.gz UGRRVTWWXKSSLK-UHFFFAOYSA-N 0 1 441.349 4.650 50 0 IJAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009409055 569530801 /nfs/dbraw/zinc/53/08/01/569530801.db2.gz PPTVLHFOOINDAT-HXUWFJFHSA-N 0 1 432.307 4.671 50 0 IJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000009409063 569530807 /nfs/dbraw/zinc/53/08/07/569530807.db2.gz YWGJJLILRPLHJB-XMMPIXPASA-N 0 1 435.524 4.543 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1Br ZINC000009496004 569541134 /nfs/dbraw/zinc/54/11/34/569541134.db2.gz STSWNWPMSXBPDJ-SFHVURJKSA-N 0 1 430.277 4.790 50 0 IJAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)c1 ZINC000009540775 569545826 /nfs/dbraw/zinc/54/58/26/569545826.db2.gz ZAJOCNYRAWQCLB-DEOSSOPVSA-N 0 1 440.503 4.548 50 0 IJAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(F)cc3)nn2[C@H]1c1cccs1 ZINC000009597284 569550878 /nfs/dbraw/zinc/55/08/78/569550878.db2.gz XGMMICZSXDEGCS-KRWDZBQOSA-N 0 1 430.530 4.623 50 0 IJAAMN CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)sc2c1 ZINC000009669824 569558151 /nfs/dbraw/zinc/55/81/51/569558151.db2.gz TZKPSDSFZQRZPG-UHFFFAOYSA-N 0 1 425.539 4.519 50 0 IJAAMN CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000009669833 569558185 /nfs/dbraw/zinc/55/81/85/569558185.db2.gz QOSHWACSQPEADV-LBPRGKRZSA-N 0 1 431.359 4.916 50 0 IJAAMN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009674101 569559062 /nfs/dbraw/zinc/55/90/62/569559062.db2.gz MOPSCTQKJFJFIF-GOSISDBHSA-N 0 1 445.947 4.924 50 0 IJAAMN CCOc1ccc(-c2cnc(NCc3cccc(Br)c3)n2CCOC)cc1 ZINC000009720970 569563322 /nfs/dbraw/zinc/56/33/22/569563322.db2.gz HFWLQFMBLJWJMJ-UHFFFAOYSA-N 0 1 430.346 4.970 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)n2)cc1 ZINC000009778432 569567269 /nfs/dbraw/zinc/56/72/69/569567269.db2.gz LPYDNEZDZICHKX-HXUWFJFHSA-N 0 1 438.553 4.979 50 0 IJAAMN CCn1c(SCC(=O)Nc2ccc3nc(C)[nH]c3c2)nnc1-c1cc2ccccc2o1 ZINC000010006500 569576995 /nfs/dbraw/zinc/57/69/95/569576995.db2.gz QMNYSNDLTPONHV-UHFFFAOYSA-N 0 1 432.509 4.627 50 0 IJAAMN Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3ccccc3)c3ccccc3)c(O)c12 ZINC000010166761 569578309 /nfs/dbraw/zinc/57/83/09/569578309.db2.gz ZTRPHEFZVIAYMB-UHFFFAOYSA-N 0 1 434.499 4.869 50 0 IJAAMN COc1ccc([C@H](CNC(=O)c2cccc(OCc3cccnc3)c2)N2CCCCC2)cc1 ZINC000071800074 569581527 /nfs/dbraw/zinc/58/15/27/569581527.db2.gz XCWSGAVVXVCSFK-SANMLTNESA-N 0 1 445.563 4.626 50 0 IJAAMN O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1 ZINC000003775469 132267925 /nfs/dbraw/zinc/26/79/25/132267925.db2.gz CDONPRYEWWPREK-UHFFFAOYSA-N 0 1 446.378 4.816 50 0 in-vitro IJAAMN CCN1CCN(c2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000005556424 132275301 /nfs/dbraw/zinc/27/53/01/132275301.db2.gz GGYSITZOQPWESB-UHFFFAOYSA-N 0 1 425.580 4.746 50 0 IJAAMN CC(C)c1nc2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc2o1 ZINC000008611374 132288406 /nfs/dbraw/zinc/28/84/06/132288406.db2.gz PJHBRSLHCSNWDD-UHFFFAOYSA-N 0 1 440.975 4.547 50 0 IJAAMN O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000008846677 132295941 /nfs/dbraw/zinc/29/59/41/132295941.db2.gz JAEOLDCHJCZKAR-UHFFFAOYSA-N 0 1 444.309 4.659 50 0 IJAAMN CC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)c1 ZINC000012200399 518422646 /nfs/dbraw/zinc/42/26/46/518422646.db2.gz GLEHKPYFWBBNDF-UHFFFAOYSA-N 0 1 434.565 4.567 50 0 IJAAMN C/C(=C\c1ccccc1)CN1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000012166434 518445196 /nfs/dbraw/zinc/44/51/96/518445196.db2.gz CENHYAXEIYZTKQ-CXIFVNDISA-N 0 1 434.609 4.726 50 0 IJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 ZINC000012468518 519762178 /nfs/dbraw/zinc/76/21/78/519762178.db2.gz SFCHZMLCEOMTIH-QFIPXVFZSA-N 0 1 425.916 4.796 50 0 IJAAMN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc3nonc3c2)CC1 ZINC000012701289 520465776 /nfs/dbraw/zinc/46/57/76/520465776.db2.gz GRBKULBMLFSMOH-UHFFFAOYSA-N 0 1 447.457 4.630 50 0 IJAAMN CCOc1ccc(NS(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000035528121 521133121 /nfs/dbraw/zinc/13/31/21/521133121.db2.gz OYELYIKFIPLYAT-UHFFFAOYSA-N 0 1 439.468 4.742 50 0 IJAAMN CCCCc1nc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)[nH]c1C ZINC000012410916 521258330 /nfs/dbraw/zinc/25/83/30/521258330.db2.gz AMJDVYXCTONVBD-UHFFFAOYSA-N 0 1 435.615 4.909 50 0 IJAAMN CCCCC1C(C)=NN(c2nc(C)c(C(=O)Nc3cc(Cl)ccc3OC)s2)C1=O ZINC000015671475 521260907 /nfs/dbraw/zinc/26/09/07/521260907.db2.gz VZWVVVQJWNNWLF-UHFFFAOYSA-N 0 1 434.949 4.908 50 0 IJAAMN CCc1nc(C)c(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)[nH]1 ZINC000012300313 522200922 /nfs/dbraw/zinc/20/09/22/522200922.db2.gz KMQRJKQXEHKRGF-UHFFFAOYSA-N 0 1 432.568 4.807 50 0 IJAAMN COC(=O)c1sc2nc(CN3CCCC[C@@H]3C)ccc2c1NC(=O)Cc1ccccc1 ZINC000012726617 522434547 /nfs/dbraw/zinc/43/45/47/522434547.db2.gz MAGOBWOYJDTZFP-INIZCTEOSA-N 0 1 437.565 4.639 50 0 IJAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020580711 523307192 /nfs/dbraw/zinc/30/71/92/523307192.db2.gz VAULOCODZMZTMN-UHFFFAOYSA-N 0 1 426.416 4.787 50 0 IJAAMN Cc1ccc(CNC(=O)c2nnc(CSc3nc4ccc(Cl)cc4[nH]3)s2)cc1 ZINC000012823807 524568748 /nfs/dbraw/zinc/56/87/48/524568748.db2.gz QAEMOIOHELHXDY-UHFFFAOYSA-N 0 1 429.958 4.599 50 0 IJAAMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000012852967 524896806 /nfs/dbraw/zinc/89/68/06/524896806.db2.gz YWWVPJYQPBJKOL-IBGZPJMESA-N 0 1 444.325 4.910 50 0 IJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1NC(C)=O ZINC000012544891 525089847 /nfs/dbraw/zinc/08/98/47/525089847.db2.gz RQIBHSFGRMWVQV-UHFFFAOYSA-N 0 1 446.912 4.900 50 0 IJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000033173866 526861628 /nfs/dbraw/zinc/86/16/28/526861628.db2.gz MDWCKYZFQJNFGH-NSHDSACASA-N 0 1 429.489 4.547 50 0 IJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000012696036 527053726 /nfs/dbraw/zinc/05/37/26/527053726.db2.gz UDUZFJKJEHTWCU-QGZVFWFLSA-N 0 1 434.546 4.792 50 0 IJAAMN O=c1c2ccccc2nc(CSc2nc(-c3ccccc3)n[nH]2)n1CCc1ccccc1 ZINC000012811868 527466020 /nfs/dbraw/zinc/46/60/20/527466020.db2.gz YHBSDGRYXAGVDG-UHFFFAOYSA-N 0 1 439.544 4.717 50 0 IJAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)s2)CC1 ZINC000009245073 535746124 /nfs/dbraw/zinc/74/61/24/535746124.db2.gz ABJBRWLNTLHTIN-UHFFFAOYSA-N 0 1 428.783 4.558 50 0 IJAAMN Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Br)c(Cl)c2)n1 ZINC000001051091 555612998 /nfs/dbraw/zinc/61/29/98/555612998.db2.gz FFWWSAGMDVHSEF-UHFFFAOYSA-N 0 1 437.750 4.927 50 0 IJAAMN Cc1cc(I)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001230727 555686615 /nfs/dbraw/zinc/68/66/15/555686615.db2.gz XQCCVJUNTNAAGC-UHFFFAOYSA-N 0 1 442.105 4.707 50 0 IJAAMN O=C1C[C@H](Sc2nc(-c3ccccc3)n[nH]2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000001248241 555687547 /nfs/dbraw/zinc/68/75/47/555687547.db2.gz FFOQLSDMDKSOHE-FQEVSTJZSA-N 0 1 442.500 4.688 50 0 IJAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccccc1F ZINC000034836722 555914237 /nfs/dbraw/zinc/91/42/37/555914237.db2.gz YMMWYMKBWSMQDO-UHFFFAOYSA-N 0 1 449.618 4.656 50 0 IJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc([C@H]3OCC(C)(C)[C@@H](C(C)C)O3)c2)c1 ZINC000008706594 556201060 /nfs/dbraw/zinc/20/10/60/556201060.db2.gz KHFIPJYPRSYWPQ-YADHBBJMSA-N 0 1 449.569 4.601 50 0 IJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032560851 556338017 /nfs/dbraw/zinc/33/80/17/556338017.db2.gz VCVJVBNLOMQVTL-GOSISDBHSA-N 0 1 443.956 4.833 50 0 IJAAMN O=C(NC[C@@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1)c1ccccc1 ZINC000011840581 556364727 /nfs/dbraw/zinc/36/47/27/556364727.db2.gz WKOSZSPAHQXTJP-NRFANRHFSA-N 0 1 432.486 4.649 50 0 IJAAMN COc1ccc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1Cn1cccn1 ZINC000011843613 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0 1 430.976 4.731 50 0 IJAAMN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036341187 569079213 /nfs/dbraw/zinc/07/92/13/569079213.db2.gz MVPZHQRIANXGMW-HSZRJFAPSA-N 0 1 425.960 4.758 50 0 IJAAMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000065107957 569106259 /nfs/dbraw/zinc/10/62/59/569106259.db2.gz HBXSHWUEHQBGEK-QGZVFWFLSA-N 0 1 428.305 4.826 50 0 IJAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000065116019 569107132 /nfs/dbraw/zinc/10/71/32/569107132.db2.gz YSSOGEBDVUOTOX-UHFFFAOYSA-N 0 1 443.525 4.541 50 0 IJAAMN COc1ccccc1OCCNC(=S)SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002372211 569289094 /nfs/dbraw/zinc/28/90/94/569289094.db2.gz MAUPXWYQGGZTEV-UHFFFAOYSA-N 0 1 445.393 4.627 50 0 IJAAMN Cc1ccc([C@H](NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000095347406 569361520 /nfs/dbraw/zinc/36/15/20/569361520.db2.gz MVUIVABVLDBQOH-LVXARBLLSA-N 0 1 448.588 4.870 50 0 IJAAMN COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OC 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VIJRGOBWOGDJIN-UHFFFAOYSA-N 0 1 447.579 4.886 50 0 IJAAMN CCN1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3s2)CC1 ZINC000009316203 569522215 /nfs/dbraw/zinc/52/22/15/569522215.db2.gz CAJTYJTYEZTJSE-UHFFFAOYSA-N 0 1 436.364 4.964 50 0 IJAAMN O=C(COc1ccc(Cl)cc1Cl)NCc1n[nH]c(=S)n1-c1cccc(Cl)c1 ZINC000009368568 569526677 /nfs/dbraw/zinc/52/66/77/569526677.db2.gz DTLVTFMQZLYEMM-UHFFFAOYSA-N 0 1 443.743 4.585 50 0 IJAAMN CC(C)(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009408910 569530741 /nfs/dbraw/zinc/53/07/41/569530741.db2.gz XNARGZFWVCNTQI-UUOWRZLLSA-N 0 1 431.536 4.804 50 0 IJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000009408990 569530803 /nfs/dbraw/zinc/53/08/03/569530803.db2.gz JRTHSWZGOBNTTR-DEOSSOPVSA-N 0 1 429.476 4.910 50 0 IJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)cc1OCC ZINC000009409236 569530893 /nfs/dbraw/zinc/53/08/93/569530893.db2.gz QUWSNEPGDJGLSE-DEOSSOPVSA-N 0 1 435.524 4.925 50 0 IJAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000009409119 569530899 /nfs/dbraw/zinc/53/08/99/569530899.db2.gz MRMCHFNYEXYBPS-RUZDIDTESA-N 0 1 449.551 4.931 50 0 IJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)n2)cc1 ZINC000009669424 569558046 /nfs/dbraw/zinc/55/80/46/569558046.db2.gz QOQCFTONHWBJEH-UHFFFAOYSA-N 0 1 446.580 4.876 50 0 IJAAMN O=C(CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000009674084 569559109 /nfs/dbraw/zinc/55/91/09/569559109.db2.gz WSCQNYXDSVDPJR-SFHVURJKSA-N 0 1 427.957 4.784 50 0 IJAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778708 569567331 /nfs/dbraw/zinc/56/73/31/569567331.db2.gz JKLHNYMZWYYLSX-LEWJYISDSA-N 0 1 434.854 4.540 50 0 IJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(-c4ccc(Cl)cc4)nn3C)n2)cc1 ZINC000009951054 569574469 /nfs/dbraw/zinc/57/44/69/569574469.db2.gz AQJSFFKUUNEGQC-UHFFFAOYSA-N 0 1 438.944 4.565 50 0 IJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000009957300 569574801 /nfs/dbraw/zinc/57/48/01/569574801.db2.gz BMOLEBSINARWHB-UHFFFAOYSA-N 0 1 430.551 4.519 50 0 IJAAMN CC(C)Cc1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n[nH]1 ZINC000020856545 519432192 /nfs/dbraw/zinc/43/21/92/519432192.db2.gz GDSFQGWUXIMIHY-XMMPIXPASA-N 0 1 433.556 4.789 50 0 IJAAMN CC[NH+](CC)[C@H](CNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S)c1ccccc1 ZINC000022752433 520861421 /nfs/dbraw/zinc/86/14/21/520861421.db2.gz RFLJUEWXUMQSTK-OAQYLSRUSA-N 0 1 437.613 4.506 50 0 IJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(F)cc1)=N2 ZINC000035372524 521585653 /nfs/dbraw/zinc/58/56/53/521585653.db2.gz VDNHAZXQJJVNMU-UHFFFAOYSA-N 0 1 438.572 4.519 50 0 IJAAMN COc1ccc(-c2cc(-c3nn4c(nnc4-c4cc(Cl)ccc4OC)s3)[nH]n2)cc1 ZINC000012323737 523085537 /nfs/dbraw/zinc/08/55/37/523085537.db2.gz FDZAGBQYKIBBKU-UHFFFAOYSA-N 0 1 438.900 4.581 50 0 IJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000012690807 523177570 /nfs/dbraw/zinc/17/75/70/523177570.db2.gz UCNGRJBGHMFRIW-UHFFFAOYSA-N 0 1 444.560 4.801 50 0 IJAAMN C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000035254128 525346660 /nfs/dbraw/zinc/34/66/60/525346660.db2.gz WRQCPSPDPJFJIU-RLWLMLJZSA-N 0 1 429.564 4.586 50 0 IJAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)n1C ZINC000020989940 525572918 /nfs/dbraw/zinc/57/29/18/525572918.db2.gz MNRSCGWIKSBDHE-UHFFFAOYSA-N 0 1 431.602 4.582 50 0 IJAAMN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n[nH]2)cc1C ZINC000020562248 525721351 /nfs/dbraw/zinc/72/13/51/525721351.db2.gz TYAIQAKHDXMJBK-UHFFFAOYSA-N 0 1 428.458 4.675 50 0 IJAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000012685254 526292343 /nfs/dbraw/zinc/29/23/43/526292343.db2.gz LDRFKPFUBBNWMW-NRFANRHFSA-N 0 1 448.567 4.598 50 0 IJAAMN O=C(NCCc1ccc(Cl)cc1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012448922 526403420 /nfs/dbraw/zinc/40/34/20/526403420.db2.gz PYANPRQWJXVUII-UHFFFAOYSA-N 0 1 449.982 4.751 50 0 IJAAMN O=C(CCC1CCN(Cc2c(F)cccc2Cl)CC1)N1CCN(c2ccccc2)CC1 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CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000044837312 557538869 /nfs/dbraw/zinc/53/88/69/557538869.db2.gz JWWMPZHYMOQSQQ-UHFFFAOYSA-N 0 1 430.302 4.889 50 0 IJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008606633 562957077 /nfs/dbraw/zinc/95/70/77/562957077.db2.gz DPXOUDJQNZBQJH-DEOSSOPVSA-N 0 1 429.476 4.746 50 0 aggregator IJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009097216 562967012 /nfs/dbraw/zinc/96/70/12/562967012.db2.gz ALOLQKUQFQNHEP-UHFFFAOYSA-N 0 1 431.901 4.793 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982601 568622994 /nfs/dbraw/zinc/62/29/94/568622994.db2.gz MLEVLGRWPSSWIR-FGZHOGPDSA-N 0 1 448.966 4.650 50 0 IJAAMN COc1ccc(Nc2nc(C(=O)N3CCN(C4CCCCC4)CC3)cc3occc32)cc1 ZINC000085651108 568831907 /nfs/dbraw/zinc/83/19/07/568831907.db2.gz DZDQIFQQRDYBTM-UHFFFAOYSA-N 0 1 434.540 4.671 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984498 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COc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037560371 569201078 /nfs/dbraw/zinc/20/10/78/569201078.db2.gz OOSNMPNCIHLHQI-UHFFFAOYSA-N 0 1 440.584 4.756 50 0 IJAAMN Cc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)c1 ZINC000037570551 569201176 /nfs/dbraw/zinc/20/11/76/569201176.db2.gz MEHHVBKVHIRHOC-UHFFFAOYSA-N 0 1 438.568 4.994 50 0 IJAAMN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000095407222 569364819 /nfs/dbraw/zinc/36/48/19/569364819.db2.gz AOPKTYZTGHOPAY-UHFFFAOYSA-N 0 1 425.330 4.528 50 0 IJAAMN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095454907 569368377 /nfs/dbraw/zinc/36/83/77/569368377.db2.gz CIYCILITTUWUJJ-QGZVFWFLSA-N 0 1 431.418 4.782 50 0 IJAAMN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095454907 569368378 /nfs/dbraw/zinc/36/83/78/569368378.db2.gz CIYCILITTUWUJJ-QGZVFWFLSA-N 0 1 431.418 4.782 50 0 IJAAMN Cc1ccc(OCC(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183692 569386082 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Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@H]2c2ccco2)cc1 ZINC000238923543 568910284 /nfs/dbraw/zinc/91/02/84/568910284.db2.gz OSIPTGSIYCIGGH-AQNXPRMDSA-N 0 1 442.393 4.658 50 0 IJAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(Cl)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746088 568949426 /nfs/dbraw/zinc/94/94/26/568949426.db2.gz UQRJXEBATJHOIY-UHFFFAOYSA-N 0 1 433.025 4.854 50 0 IJAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036096020 568951613 /nfs/dbraw/zinc/95/16/13/568951613.db2.gz UXXSAGWARRZNRR-QHCPKHFHSA-N 0 1 439.527 4.593 50 0 IJAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146356 568962513 /nfs/dbraw/zinc/96/25/13/568962513.db2.gz GJEGMAMBLPROLE-UXHICEINSA-N 0 1 448.966 4.650 50 0 IJAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(Br)c2)on1 ZINC000064845642 568971953 /nfs/dbraw/zinc/97/19/53/568971953.db2.gz ZZJLLTVOEQSYGC-UHFFFAOYSA-N 0 1 427.345 4.892 50 0 IJAAMN COc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341052 569079178 /nfs/dbraw/zinc/07/91/78/569079178.db2.gz AQUXEAZUDDGTKP-QHCPKHFHSA-N 0 1 425.960 4.758 50 0 IJAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC)C(C)C ZINC000036346522 569081334 /nfs/dbraw/zinc/08/13/34/569081334.db2.gz VCSLGUBZXZRTLH-JOCHJYFZSA-N 0 1 437.584 4.753 50 0 IJAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1 ZINC000065060289 569095841 /nfs/dbraw/zinc/09/58/41/569095841.db2.gz SCJIJZNNHTYHAL-UHFFFAOYSA-N 0 1 438.958 4.980 50 0 IJAAMN CN(C)c1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CC3)C2)cc1 ZINC000037439083 569196351 /nfs/dbraw/zinc/19/63/51/569196351.db2.gz MZXPYXZMERUJNZ-NRFANRHFSA-N 0 1 445.485 4.703 50 0 IJAAMN CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018153634 569285001 /nfs/dbraw/zinc/28/50/01/569285001.db2.gz BPDUHMYHHKIDAT-ZLNRFVROSA-N 0 1 432.907 4.954 50 0 IJAAMN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018153634 569285002 /nfs/dbraw/zinc/28/50/02/569285002.db2.gz BPDUHMYHHKIDAT-ZLNRFVROSA-N 0 1 432.907 4.954 50 0 IJAAMN COc1ccc2c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000019309311 569317700 /nfs/dbraw/zinc/31/77/00/569317700.db2.gz ZZHSARREGFXNJT-UHFFFAOYSA-N 0 1 440.543 4.709 50 0 biogenic IJAAMN Cc1sc2nc(C(F)(F)F)nc(NCC3(N4CCOCC4)CCCCC3)c2c1C ZINC000095949016 569376563 /nfs/dbraw/zinc/37/65/63/569376563.db2.gz DTSAZNKRVABYFW-UHFFFAOYSA-N 0 1 428.524 4.774 50 0 IJAAMN CCc1cc([C@@H](c2ccsc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546563 569463674 /nfs/dbraw/zinc/46/36/74/569463674.db2.gz YSVNNVXJBSBDIQ-HXUWFJFHSA-N 0 1 429.611 4.944 50 0 IJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1 ZINC000008845296 569478779 /nfs/dbraw/zinc/47/87/79/569478779.db2.gz PENJESNWZMGDDB-RUZDIDTESA-N 0 1 449.551 4.933 50 0 IJAAMN CCOC(=O)C1=C(CN2CCCC[C@H]2C)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000245325645 569503643 /nfs/dbraw/zinc/50/36/43/569503643.db2.gz BQBCJGFSDCSDBZ-JPYJTQIMSA-N 0 1 441.616 4.762 50 0 IJAAMN CCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000009184757 569510022 /nfs/dbraw/zinc/51/00/22/569510022.db2.gz ZQJUZISSBBDYPO-XMMPIXPASA-N 0 1 435.524 4.843 50 0 IJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009242875 569514801 /nfs/dbraw/zinc/51/48/01/569514801.db2.gz BLSYMMLSMSLWTG-QHCPKHFHSA-N 0 1 428.467 4.679 50 0 IJAAMN O=S(=O)(N[C@H]1CCCC[C@H]1N1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000009408735 569530667 /nfs/dbraw/zinc/53/06/67/569530667.db2.gz AWYXKHMGPIPJSC-XZOQPEGZSA-N 0 1 431.001 4.719 50 0 IJAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)c1 ZINC000009409161 569530889 /nfs/dbraw/zinc/53/08/89/569530889.db2.gz VZFRXFULKISOAE-AREMUKBSSA-N 0 1 439.515 4.969 50 0 IJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000009409141 569530939 /nfs/dbraw/zinc/53/09/39/569530939.db2.gz VRLVFMVMMPEBKQ-AREMUKBSSA-N 0 1 439.515 4.969 50 0 IJAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778700 569567318 /nfs/dbraw/zinc/56/73/18/569567318.db2.gz JKLHNYMZWYYLSX-RTWAWAEBSA-N 0 1 434.854 4.540 50 0 IJAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000009958786 569574986 /nfs/dbraw/zinc/57/49/86/569574986.db2.gz SVLDBXBNWNCQIP-UHFFFAOYSA-N 0 1 436.556 4.702 50 0 IJAAMN