smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 ZINC000000602902 557019030 /nfs/dbraw/zinc/01/90/30/557019030.db2.gz VTGBZWHPJFMTKS-UHFFFAOYSA-N 0 3 411.505 5.519 50 0 investigational HKAAHN CCN(CC)CC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000667891 568460463 /nfs/dbraw/zinc/46/04/63/568460463.db2.gz SQQAVQYUIVWHNL-DEOSSOPVSA-N 0 3 407.602 5.250 50 0 HKAAHN CCN(CC)CC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000667894 568460508 /nfs/dbraw/zinc/46/05/08/568460508.db2.gz SQQAVQYUIVWHNL-XMMPIXPASA-N 0 3 407.602 5.250 50 0 HKAAHN CN(Cn1c2ccccc2n(CN(C)C2CCCCC2)c1=S)C1CCCCC1 ZINC000000711049 568465204 /nfs/dbraw/zinc/46/52/04/568465204.db2.gz KVLJWNBJNYIMGD-UHFFFAOYSA-N 0 3 400.636 5.616 50 0 HKAAHN Cc1ccc2c(c1)[C@@H](Nc1ccc(OCCN(C)C)cc1)c1ccccc1CS2 ZINC000000717629 557068767 /nfs/dbraw/zinc/06/87/67/557068767.db2.gz QQZUJGHOAFEOQU-VWLOTQADSA-N 0 3 404.579 5.743 50 0 HKAAHN Cc1ccc2c(c1)[C@H](Nc1ccc(OCCN(C)C)cc1)c1ccccc1CS2 ZINC000000717630 557068691 /nfs/dbraw/zinc/06/86/91/557068691.db2.gz QQZUJGHOAFEOQU-RUZDIDTESA-N 0 3 404.579 5.743 50 0 HKAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000000755523 557076820 /nfs/dbraw/zinc/07/68/20/557076820.db2.gz JWUIMICFERHLDV-IBGZPJMESA-N 0 3 402.623 5.068 50 0 HKAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000000755524 557077009 /nfs/dbraw/zinc/07/70/09/557077009.db2.gz JWUIMICFERHLDV-LJQANCHMSA-N 0 3 402.623 5.068 50 0 HKAAHN c1ccc(CN2CCn3c4ccc(C5=CN6CCC5CC6)cc4c4c3[C@@H]2CCC4)cc1 ZINC000000757957 557076807 /nfs/dbraw/zinc/07/68/07/557076807.db2.gz FZQKNUWSUQBTMN-MHZLTWQESA-N 0 3 409.577 5.601 50 0 biogenic HKAAHN c1ccc(CN2CCn3c4ccc(C5=CN6CCC5CC6)cc4c4c3[C@H]2CCC4)cc1 ZINC000000757959 557076857 /nfs/dbraw/zinc/07/68/57/557076857.db2.gz FZQKNUWSUQBTMN-HHHXNRCGSA-N 0 3 409.577 5.601 50 0 biogenic HKAAHN C[C@@H](Cc1ccccc1)NCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000825333 558835838 /nfs/dbraw/zinc/83/58/38/558835838.db2.gz MSXWFYBNKMNHSE-INIZCTEOSA-N 0 3 408.954 5.690 50 0 HKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cccc(OC)c2)cc1 ZINC000000856885 557103137 /nfs/dbraw/zinc/10/31/37/557103137.db2.gz VVPCVVZIXRJYPS-UHFFFAOYSA-N 0 3 419.521 5.068 50 0 biogenic HKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2)cc1 ZINC000000856886 557103064 /nfs/dbraw/zinc/10/30/64/557103064.db2.gz SKTKLAIYDVFVFX-UHFFFAOYSA-N 0 3 419.521 5.068 50 0 biogenic HKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(F)cc2)cc1 ZINC000000856894 557103013 /nfs/dbraw/zinc/10/30/13/557103013.db2.gz SUJYCHNFMXHEEH-UHFFFAOYSA-N 0 3 407.485 5.198 50 0 HKAAHN O=C(Nc1ccccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000000858010 557103357 /nfs/dbraw/zinc/10/33/57/557103357.db2.gz QKKCIGUNBYUOTI-UHFFFAOYSA-N 0 3 418.968 6.047 50 0 HKAAHN O=C(CCN1CCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000872565 526482335 /nfs/dbraw/zinc/48/23/35/526482335.db2.gz LPARPXDCBOPQTC-UHFFFAOYSA-N 0 3 406.473 5.711 50 0 HKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000000935750 568751386 /nfs/dbraw/zinc/75/13/86/568751386.db2.gz RTXMXQHCLOKAFG-OAQYLSRUSA-N 0 3 410.539 5.404 50 0 HKAAHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000000935751 568751325 /nfs/dbraw/zinc/75/13/25/568751325.db2.gz RTXMXQHCLOKAFG-NRFANRHFSA-N 0 3 410.539 5.404 50 0 HKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000000935752 568751228 /nfs/dbraw/zinc/75/12/28/568751228.db2.gz YBJRGVCYUGWZOG-JOCHJYFZSA-N 0 3 424.566 5.794 50 0 HKAAHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000000935753 568751321 /nfs/dbraw/zinc/75/13/21/568751321.db2.gz YBJRGVCYUGWZOG-QFIPXVFZSA-N 0 3 424.566 5.794 50 0 HKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000000936748 568751524 /nfs/dbraw/zinc/75/15/24/568751524.db2.gz IPHYIULARRFROB-HSZRJFAPSA-N 0 3 420.578 5.811 50 0 HKAAHN CCOc1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1 ZINC000000949042 557123771 /nfs/dbraw/zinc/12/37/71/557123771.db2.gz PJPWAIVSARHDEW-UHFFFAOYSA-N 0 3 404.251 5.290 50 0 HKAAHN Cc1sc(NC(=O)c2ccco2)c(CN2CCC(Cc3ccccc3)CC2)c1C ZINC000000950078 568756370 /nfs/dbraw/zinc/75/63/70/568756370.db2.gz VFEBSWQSDNNTBL-UHFFFAOYSA-N 0 3 408.567 5.665 50 0 HKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000000985702 568760503 /nfs/dbraw/zinc/76/05/03/568760503.db2.gz NYWREHRGJLDICR-DEOSSOPVSA-N 0 3 402.469 5.130 50 0 HKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000000985703 568760542 /nfs/dbraw/zinc/76/05/42/568760542.db2.gz NYWREHRGJLDICR-XMMPIXPASA-N 0 3 402.469 5.130 50 0 HKAAHN COc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000001226488 568861588 /nfs/dbraw/zinc/86/15/88/568861588.db2.gz NRKUKKMZEDBMJX-UHFFFAOYSA-N 0 3 401.550 5.729 50 0 HKAAHN COc1ccc2[nH]cc(CCN(Cc3ccc(F)cc3)Cc3ccc(F)cc3)c2c1 ZINC000001283109 568911096 /nfs/dbraw/zinc/91/10/96/568911096.db2.gz GEIZSCPDIWQKDG-UHFFFAOYSA-N 0 3 406.476 5.700 50 0 HKAAHN COc1ccc(C2=C(CN(C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000001322648 568914779 /nfs/dbraw/zinc/91/47/79/568914779.db2.gz LZZCQGRDBHQTFA-RUZDIDTESA-N 0 3 401.506 5.201 50 0 biogenic HKAAHN COc1ccc(C2=C(CN(C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000001322649 568914692 /nfs/dbraw/zinc/91/46/92/568914692.db2.gz LZZCQGRDBHQTFA-VWLOTQADSA-N 0 3 401.506 5.201 50 0 biogenic HKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccccc1F ZINC000001322780 568914681 /nfs/dbraw/zinc/91/46/81/568914681.db2.gz XLCLUPYUHIBXRE-DEOSSOPVSA-N 0 3 402.469 5.130 50 0 biogenic HKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccccc1F ZINC000001322781 568914789 /nfs/dbraw/zinc/91/47/89/568914789.db2.gz XLCLUPYUHIBXRE-XMMPIXPASA-N 0 3 402.469 5.130 50 0 biogenic HKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)cc1 ZINC000001456140 568987127 /nfs/dbraw/zinc/98/71/27/568987127.db2.gz YIYDVUUXRLWHAL-UHFFFAOYSA-N 0 3 423.940 5.712 50 0 HKAAHN CCC(=O)N(c1ccc2[nH]c(C(C)(C)C)cc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000001501479 557270476 /nfs/dbraw/zinc/27/04/76/557270476.db2.gz YQXCNHWOJVYUAY-UHFFFAOYSA-N 0 3 417.597 5.873 50 0 HKAAHN Clc1ccc2c(c1)N([C@H]1CCCN(Cc3ccccc3)C1)c1ccccc1S2 ZINC000001553155 132247026 /nfs/dbraw/zinc/24/70/26/132247026.db2.gz HRNUQLNMNFLJNC-FQEVSTJZSA-N 0 3 406.982 6.607 50 0 HKAAHN Clc1ccc2c(c1)N([C@@H]1CCCN(Cc3ccccc3)C1)c1ccccc1S2 ZINC000001553156 132247212 /nfs/dbraw/zinc/24/72/12/132247212.db2.gz HRNUQLNMNFLJNC-HXUWFJFHSA-N 0 3 406.982 6.607 50 0 HKAAHN COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCCC2)cc1 ZINC000001580474 569030631 /nfs/dbraw/zinc/03/06/31/569030631.db2.gz NCXSPZYKHJGFIK-DEOSSOPVSA-N 0 3 409.614 6.571 50 0 HKAAHN C/C(=C(/c1ccc(F)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 ZINC000001592608 557275317 /nfs/dbraw/zinc/27/53/17/557275317.db2.gz NKMKTKLEMHRDQT-SZXQPVLSSA-N 0 3 401.525 6.279 50 0 HKAAHN CN(c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)C1CCN(C)CC1 ZINC000001773064 560583475 /nfs/dbraw/zinc/58/34/75/560583475.db2.gz YRAHMLVJMVTYTG-UHFFFAOYSA-N 0 3 401.341 5.134 50 0 HKAAHN CCN1CCN(c2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)CC1 ZINC000001801760 132247808 /nfs/dbraw/zinc/24/78/08/132247808.db2.gz KJIASPRLECPHAC-UHFFFAOYSA-N 0 3 400.551 5.167 50 0 HKAAHN CCCCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000001815694 557290417 /nfs/dbraw/zinc/29/04/17/557290417.db2.gz JIMPELPXBXADEI-LJSKOJCJSA-N 0 3 406.397 6.573 50 0 HKAAHN CCCCN(CCCC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000002027453 132248485 /nfs/dbraw/zinc/24/84/85/132248485.db2.gz CKBWKZDXAZCOEM-UHFFFAOYSA-N 0 3 402.991 6.372 50 0 HKAAHN CN(C)CCOc1ccc(N[C@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1 ZINC000002049814 557300314 /nfs/dbraw/zinc/30/03/14/557300314.db2.gz HVCBOHOLCYKAES-DEOSSOPVSA-N 0 3 424.997 6.088 50 0 HKAAHN CN(C)CCOc1ccc(N[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1 ZINC000002049815 557300352 /nfs/dbraw/zinc/30/03/52/557300352.db2.gz HVCBOHOLCYKAES-XMMPIXPASA-N 0 3 424.997 6.088 50 0 HKAAHN CC(C)c1cc(C(C)C)c(S(=O)(=O)N(C)CCN(C)C(C)(C)C)c(C(C)C)c1 ZINC000002183337 569293543 /nfs/dbraw/zinc/29/35/43/569293543.db2.gz HLZHZAZTQOFBOO-UHFFFAOYSA-N 0 3 410.668 5.408 50 0 HKAAHN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)C(c1ccccc1)Nc1ccccc1S2 ZINC000002212590 557327250 /nfs/dbraw/zinc/32/72/50/557327250.db2.gz JGKZQEXGIUCFMK-FQEVSTJZSA-N 0 3 418.905 5.426 50 0 HKAAHN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)C(c1ccccc1)Nc1ccccc1S2 ZINC000002212592 557327241 /nfs/dbraw/zinc/32/72/41/557327241.db2.gz JGKZQEXGIUCFMK-HXUWFJFHSA-N 0 3 418.905 5.426 50 0 HKAAHN CC(C)(C)c1cc(N2CCN(C3CCCCC3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002237616 132250160 /nfs/dbraw/zinc/25/01/60/132250160.db2.gz MKYFAPXIXAKPQJ-UHFFFAOYSA-N 0 3 417.601 5.149 50 0 HKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002324384 569375392 /nfs/dbraw/zinc/37/53/92/569375392.db2.gz FRKUVFRVEMJAME-QFIPXVFZSA-N 0 3 406.570 5.712 50 0 HKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002324386 569375414 /nfs/dbraw/zinc/37/54/14/569375414.db2.gz FRKUVFRVEMJAME-JOCHJYFZSA-N 0 3 406.570 5.712 50 0 HKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002355798 569385303 /nfs/dbraw/zinc/38/53/03/569385303.db2.gz BHIQMLDPFKTVLT-UHFFFAOYSA-N 0 3 424.328 5.136 50 0 HKAAHN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CCC4)c(SCCN(C)C)n1 ZINC000002400565 569395421 /nfs/dbraw/zinc/39/54/21/569395421.db2.gz IZWNZBGIAAFIBW-UHFFFAOYSA-N 0 3 418.657 5.227 50 0 HKAAHN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)sc1C ZINC000002439330 557347480 /nfs/dbraw/zinc/34/74/80/557347480.db2.gz KMNHTJNOEQLIQU-IBGZPJMESA-N 0 3 420.465 5.064 50 0 HKAAHN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)sc1C ZINC000002439331 557347559 /nfs/dbraw/zinc/34/75/59/557347559.db2.gz KMNHTJNOEQLIQU-LJQANCHMSA-N 0 3 420.465 5.064 50 0 HKAAHN COc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1OC ZINC000002472534 557351125 /nfs/dbraw/zinc/35/11/25/557351125.db2.gz HRCFEMOJDWYOBQ-UHFFFAOYSA-N 0 3 401.510 5.158 50 0 HKAAHN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000002580976 557358027 /nfs/dbraw/zinc/35/80/27/557358027.db2.gz WYDUDCFIXKXWER-HXUWFJFHSA-N 0 3 406.448 5.111 50 0 HKAAHN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000002580977 557358034 /nfs/dbraw/zinc/35/80/34/557358034.db2.gz UQEDWFQMSLBDKO-HXUWFJFHSA-N 0 3 406.448 5.111 50 0 HKAAHN CN(C[C@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002624232 568788795 /nfs/dbraw/zinc/78/87/95/568788795.db2.gz SEQOJOCOZSWYNG-IBGZPJMESA-N 0 3 416.348 5.455 50 0 HKAAHN CN(C[C@@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002624234 568788842 /nfs/dbraw/zinc/78/88/42/568788842.db2.gz SEQOJOCOZSWYNG-LJQANCHMSA-N 0 3 416.348 5.455 50 0 HKAAHN Fc1ccc(-c2csc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)cc1 ZINC000002636113 568792228 /nfs/dbraw/zinc/79/22/28/568792228.db2.gz XMLRNOWSSLJNNE-UHFFFAOYSA-N 0 3 418.541 5.574 50 0 HKAAHN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN(C)C3CCN(C)CC3)cc2)cc1 ZINC000002655692 560587309 /nfs/dbraw/zinc/58/73/09/560587309.db2.gz VZIBFVOJYFDHSI-UHFFFAOYSA-N 0 3 423.601 5.131 50 0 HKAAHN CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCCC2)cc(C(C)(C)C)c1O ZINC000002708328 568802002 /nfs/dbraw/zinc/80/20/02/568802002.db2.gz ITSBRVBWXGZQMO-JOCHJYFZSA-N 0 3 400.006 6.826 50 0 HKAAHN CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CCCC2)cc(C(C)(C)C)c1O ZINC000002708331 568801948 /nfs/dbraw/zinc/80/19/48/568801948.db2.gz ITSBRVBWXGZQMO-QFIPXVFZSA-N 0 3 400.006 6.826 50 0 HKAAHN COc1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCCC2)cc1 ZINC000002708357 568801923 /nfs/dbraw/zinc/80/19/23/568801923.db2.gz NCXSPZYKHJGFIK-XMMPIXPASA-N 0 3 409.614 6.571 50 0 HKAAHN CCc1ccc(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)cc1 ZINC000002758658 568806831 /nfs/dbraw/zinc/80/68/31/568806831.db2.gz AUQANAPGYMLWRF-UHFFFAOYSA-N 0 3 418.537 5.659 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002761279 557755483 /nfs/dbraw/zinc/75/54/83/557755483.db2.gz ZRTZWUHONCHQGS-GMAHTHKFSA-N 0 3 410.517 5.067 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000002841869 560732381 /nfs/dbraw/zinc/73/23/81/560732381.db2.gz XYPNUENSPBQCLH-UHFFFAOYSA-N 0 3 400.522 5.504 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl ZINC000002841918 557401435 /nfs/dbraw/zinc/40/14/35/557401435.db2.gz NFPHDSCYIDUVIT-UHFFFAOYSA-N 0 3 407.739 5.341 50 0 HKAAHN COc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000002863703 557411348 /nfs/dbraw/zinc/41/13/48/557411348.db2.gz PQZSZROWAXXIDH-UHFFFAOYSA-N 0 3 402.321 5.871 50 0 HKAAHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000002863727 557411412 /nfs/dbraw/zinc/41/14/12/557411412.db2.gz WEBMSXRKAAPFGL-UHFFFAOYSA-N 0 3 416.348 6.261 50 0 HKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002863777 557411443 /nfs/dbraw/zinc/41/14/43/557411443.db2.gz IJWKHSKUJISHMW-KRWDZBQOSA-N 0 3 424.928 5.217 50 0 HKAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002863778 557411437 /nfs/dbraw/zinc/41/14/37/557411437.db2.gz IJWKHSKUJISHMW-QGZVFWFLSA-N 0 3 424.928 5.217 50 0 HKAAHN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2CN2CCCCC2)CCCC3)cc1 ZINC000002888989 557768171 /nfs/dbraw/zinc/76/81/71/557768171.db2.gz SDXDSCPAABUZJF-UHFFFAOYSA-N 0 3 410.627 6.163 50 0 HKAAHN Cc1c(Cl)cccc1NC(=S)N(Cc1ccco1)C1CCN(C(C)C)CC1 ZINC000002912846 568816116 /nfs/dbraw/zinc/81/61/16/568816116.db2.gz KTOZEUVVLMRKLP-UHFFFAOYSA-N 0 3 405.995 5.313 50 0 HKAAHN CSc1cccc(NC(=S)N(Cc2ccco2)C2CCN(C(C)C)CC2)c1 ZINC000002913178 568816103 /nfs/dbraw/zinc/81/61/03/568816103.db2.gz KLPZDJRSYFALPV-UHFFFAOYSA-N 0 3 403.617 5.073 50 0 HKAAHN CC(C)CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCN(C(C)C)CC1 ZINC000002933470 568818487 /nfs/dbraw/zinc/81/84/87/568818487.db2.gz QIKYNTDSVWJSKR-UHFFFAOYSA-N 0 3 400.394 5.746 50 0 HKAAHN C[C@@H](c1cccnc1)N(CCN(C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002933959 568818510 /nfs/dbraw/zinc/81/85/10/568818510.db2.gz OECFPBZZVCHFBV-IBGZPJMESA-N 0 3 420.582 5.196 50 0 HKAAHN C[C@H](c1cccnc1)N(CCN(C)C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002933960 568818533 /nfs/dbraw/zinc/81/85/33/568818533.db2.gz OECFPBZZVCHFBV-LJQANCHMSA-N 0 3 420.582 5.196 50 0 HKAAHN CCc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000002965078 557432098 /nfs/dbraw/zinc/43/20/98/557432098.db2.gz DALKRTJBJIKPPL-UHFFFAOYSA-N 0 3 412.577 5.956 50 0 HKAAHN O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000002979111 557434682 /nfs/dbraw/zinc/43/46/82/557434682.db2.gz FVDPSMRUGBYGRY-UHFFFAOYSA-N 0 3 424.588 5.340 50 0 HKAAHN Cc1ccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000002982247 557435828 /nfs/dbraw/zinc/43/58/28/557435828.db2.gz DRUXYWQOLUXBMH-UHFFFAOYSA-N 0 3 412.577 5.380 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NCCN3CCCC[C@H]3C)c3ccccc3n2)cc1C ZINC000003046079 568849008 /nfs/dbraw/zinc/84/90/08/568849008.db2.gz CMGWVSKDDVECJX-HXUWFJFHSA-N 0 3 401.554 5.123 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NCCN3CCCC[C@@H]3C)c3ccccc3n2)cc1C ZINC000003046083 568848983 /nfs/dbraw/zinc/84/89/83/568848983.db2.gz CMGWVSKDDVECJX-FQEVSTJZSA-N 0 3 401.554 5.123 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NCCN(C)Cc3ccccc3)c3ccccc3n2)cc1C ZINC000003046088 568848988 /nfs/dbraw/zinc/84/89/88/568848988.db2.gz DHZVKACSLKWKBX-UHFFFAOYSA-N 0 3 423.560 5.380 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NCCN3CCCCCC3)c3ccccc3n2)cc1C ZINC000003046098 568849037 /nfs/dbraw/zinc/84/90/37/568849037.db2.gz OLAFLRAGFRZNTC-UHFFFAOYSA-N 0 3 401.554 5.124 50 0 HKAAHN CCCCN(CC)Cc1ccc(CNC(=S)Nc2cc(Cl)ccc2OC)o1 ZINC000003061696 568852812 /nfs/dbraw/zinc/85/28/12/568852812.db2.gz AJMVQMAOBFHLHO-UHFFFAOYSA-N 0 3 409.983 5.050 50 0 HKAAHN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000003078628 568854037 /nfs/dbraw/zinc/85/40/37/568854037.db2.gz MAIAKFREYFMMMC-VWLOTQADSA-N 0 3 420.556 5.858 50 0 HKAAHN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1(N)CCCCC1 ZINC000003097886 558748935 /nfs/dbraw/zinc/74/89/35/558748935.db2.gz CXTRZRNCZCZICX-SYJIQKIWSA-N 0 3 408.377 5.399 50 0 HKAAHN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1(N)CCCCC1 ZINC000003097888 558748906 /nfs/dbraw/zinc/74/89/06/558748906.db2.gz CXTRZRNCZCZICX-VMSUTVGLSA-N 0 3 408.377 5.399 50 0 HKAAHN Cc1ccc2cc(C)c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000003110718 560589067 /nfs/dbraw/zinc/58/90/67/560589067.db2.gz NBZSQLOOTLEDQC-UHFFFAOYSA-N 0 3 407.561 5.763 50 0 HKAAHN CN(C1CCN(C)CC1)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174686 568859768 /nfs/dbraw/zinc/85/97/68/568859768.db2.gz AQQKAPFXTFFAJR-UHFFFAOYSA-N 0 3 410.523 6.035 50 0 HKAAHN C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1cccs1)N1CCCC1 ZINC000003211458 568862177 /nfs/dbraw/zinc/86/21/77/568862177.db2.gz DDJIYRDWTPYEFY-SJCJKPOMSA-N 0 3 414.427 5.567 50 0 HKAAHN C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1cccs1)N1CCCC1 ZINC000003211460 568862126 /nfs/dbraw/zinc/86/21/26/568862126.db2.gz DDJIYRDWTPYEFY-PXAZEXFGSA-N 0 3 414.427 5.567 50 0 HKAAHN C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](c1cccs1)N1CCCC1 ZINC000003211462 568862182 /nfs/dbraw/zinc/86/21/82/568862182.db2.gz DDJIYRDWTPYEFY-YVEFUNNKSA-N 0 3 414.427 5.567 50 0 HKAAHN C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](c1cccs1)N1CCCC1 ZINC000003211463 568862149 /nfs/dbraw/zinc/86/21/49/568862149.db2.gz DDJIYRDWTPYEFY-SJKOYZFVSA-N 0 3 414.427 5.567 50 0 HKAAHN CC(C)CN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)CC(C)C ZINC000003220925 568863538 /nfs/dbraw/zinc/86/35/38/568863538.db2.gz JCDATQYJRMAQLH-UHFFFAOYSA-N 0 3 400.950 5.124 50 0 HKAAHN C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003244365 568866926 /nfs/dbraw/zinc/86/69/26/568866926.db2.gz FDXSPUBLHJZPBW-MBSDFSHPSA-N 0 3 406.551 5.496 50 0 HKAAHN C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003244366 568848128 /nfs/dbraw/zinc/84/81/28/568848128.db2.gz FDXSPUBLHJZPBW-JPYJTQIMSA-N 0 3 406.551 5.496 50 0 HKAAHN C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003244368 568848146 /nfs/dbraw/zinc/84/81/46/568848146.db2.gz FDXSPUBLHJZPBW-FDDCHVKYSA-N 0 3 406.551 5.496 50 0 HKAAHN C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003244369 568866932 /nfs/dbraw/zinc/86/69/32/568866932.db2.gz FDXSPUBLHJZPBW-WZONZLPQSA-N 0 3 406.551 5.496 50 0 HKAAHN O=C(c1ccc(Cl)nc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000003282989 568851657 /nfs/dbraw/zinc/85/16/57/568851657.db2.gz STRJXGZOWDRFFB-UHFFFAOYSA-N 0 3 405.929 5.046 50 0 HKAAHN O=C(CN[C@@H]1CCCc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003287786 568872623 /nfs/dbraw/zinc/87/26/23/568872623.db2.gz GWLSXTHLFUTAKD-OAQYLSRUSA-N 0 3 422.981 6.097 50 0 HKAAHN O=C(CN[C@H]1CCCc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003287788 568872712 /nfs/dbraw/zinc/87/27/12/568872712.db2.gz GWLSXTHLFUTAKD-NRFANRHFSA-N 0 3 422.981 6.097 50 0 HKAAHN CN(C)[C@@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000003304423 568877215 /nfs/dbraw/zinc/87/72/15/568877215.db2.gz MJSFIRRVPYLULN-QFIPXVFZSA-N 0 3 417.578 5.099 50 0 HKAAHN CN(C)[C@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000003304425 568877256 /nfs/dbraw/zinc/87/72/56/568877256.db2.gz MJSFIRRVPYLULN-JOCHJYFZSA-N 0 3 417.578 5.099 50 0 HKAAHN Brc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1 ZINC000003308074 568877573 /nfs/dbraw/zinc/87/75/73/568877573.db2.gz KNVVOHXFAXIDDC-UHFFFAOYSA-N 0 3 418.338 5.592 50 0 HKAAHN CSc1ccc(CN(C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000003337948 568883197 /nfs/dbraw/zinc/88/31/97/568883197.db2.gz NXDKGKAEGNEFPJ-AOYPEHQESA-N 0 3 421.606 5.316 50 0 HKAAHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NC1CCCCC1)c1ccccc1 ZINC000003352778 568886007 /nfs/dbraw/zinc/88/60/07/568886007.db2.gz KBAVGWYKFOUHMU-IBGZPJMESA-N 0 3 410.867 5.961 50 0 HKAAHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NC1CCCCC1)c1ccccc1 ZINC000003352780 568886040 /nfs/dbraw/zinc/88/60/40/568886040.db2.gz KBAVGWYKFOUHMU-LJQANCHMSA-N 0 3 410.867 5.961 50 0 HKAAHN O=C(CN[C@H]1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003354953 568886446 /nfs/dbraw/zinc/88/64/46/568886446.db2.gz LCQPPQCOCDIGLU-NRFANRHFSA-N 0 3 406.913 5.738 50 0 HKAAHN O=C(CN[C@@H]1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003354955 568886506 /nfs/dbraw/zinc/88/65/06/568886506.db2.gz LCQPPQCOCDIGLU-OAQYLSRUSA-N 0 3 406.913 5.738 50 0 HKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)NC1CCCCCCC1)C[C@@H](C)CC2 ZINC000003377678 560595554 /nfs/dbraw/zinc/59/55/54/560595554.db2.gz WQIMAKRVQZQHEN-JKSUJKDBSA-N 0 3 420.619 5.079 50 0 HKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)NC1CCCCCCC1)C[C@H](C)CC2 ZINC000003377682 568891501 /nfs/dbraw/zinc/89/15/01/568891501.db2.gz WQIMAKRVQZQHEN-HZPDHXFCSA-N 0 3 420.619 5.079 50 0 HKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)NC1CCCCCCC1)C[C@@H](C)CC2 ZINC000003377684 560595547 /nfs/dbraw/zinc/59/55/47/560595547.db2.gz WQIMAKRVQZQHEN-HOTGVXAUSA-N 0 3 420.619 5.079 50 0 HKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)NC1CCCCCCC1)C[C@H](C)CC2 ZINC000003377687 560595526 /nfs/dbraw/zinc/59/55/26/560595526.db2.gz WQIMAKRVQZQHEN-CVEARBPZSA-N 0 3 420.619 5.079 50 0 HKAAHN Cc1ccc(SCCNC[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1C ZINC000003384188 568893030 /nfs/dbraw/zinc/89/30/30/568893030.db2.gz FXVKDSVEFSJFBT-NRFANRHFSA-N 0 3 401.616 5.031 50 0 HKAAHN Cc1ccc(SCCNC[C@@H](O)COc2ccc(C(C)(C)C)cc2C)cc1C ZINC000003384191 568893157 /nfs/dbraw/zinc/89/31/57/568893157.db2.gz FXVKDSVEFSJFBT-OAQYLSRUSA-N 0 3 401.616 5.031 50 0 HKAAHN CCN(CC)Cc1cc(OC)ccc1Oc1ncnc2sc3c(c21)CCCCC3 ZINC000003440142 568903439 /nfs/dbraw/zinc/90/34/39/568903439.db2.gz FFGFXONYQYDSCM-UHFFFAOYSA-N 0 3 411.571 5.603 50 0 HKAAHN CC[C@H](NC[C@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441556 560594828 /nfs/dbraw/zinc/59/48/28/560594828.db2.gz DSZGNJFNCOPFRU-ICSRJNTNSA-N 0 3 406.364 5.053 50 0 HKAAHN CC[C@@H](NC[C@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441557 560594796 /nfs/dbraw/zinc/59/47/96/560594796.db2.gz DSZGNJFNCOPFRU-AZUAARDMSA-N 0 3 406.364 5.053 50 0 HKAAHN CC[C@H](NC[C@@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441560 568903815 /nfs/dbraw/zinc/90/38/15/568903815.db2.gz DSZGNJFNCOPFRU-QUCCMNQESA-N 0 3 406.364 5.053 50 0 HKAAHN CC[C@@H](NC[C@@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 ZINC000003441564 568903839 /nfs/dbraw/zinc/90/38/39/568903839.db2.gz DSZGNJFNCOPFRU-UYAOXDASSA-N 0 3 406.364 5.053 50 0 HKAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000003615911 568864199 /nfs/dbraw/zinc/86/41/99/568864199.db2.gz HRVNEOSRFIZHIQ-UHFFFAOYSA-N 0 3 424.588 5.340 50 0 HKAAHN S=C(Nc1ccc(Cl)cc1)N(CCN1CCCCCC1)Cc1cccs1 ZINC000003662253 568923735 /nfs/dbraw/zinc/92/37/35/568923735.db2.gz JBFDLZROQNDTEC-UHFFFAOYSA-N 0 3 408.036 5.477 50 0 HKAAHN Cc1ccc(Cl)cc1NC(=S)N(CCCN1CCCCC1)Cc1cccs1 ZINC000003662283 568923804 /nfs/dbraw/zinc/92/38/04/568923804.db2.gz UVEMKBAWGWQUJW-UHFFFAOYSA-N 0 3 422.063 5.785 50 0 HKAAHN Cc1ccc(Cl)cc1NC(=S)N(CCCN1CCCCC1)Cc1ccco1 ZINC000003662289 568923850 /nfs/dbraw/zinc/92/38/50/568923850.db2.gz CXGKTFQCYANMBS-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1ccc(Cl)cc1NC(=S)N(CCN1CCCCCC1)Cc1ccco1 ZINC000003662293 568923761 /nfs/dbraw/zinc/92/37/61/568923761.db2.gz LZHFDCHUBWXVLU-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1ccc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)cc1Cl ZINC000003662314 568923725 /nfs/dbraw/zinc/92/37/25/568923725.db2.gz BIDYZRWHBRRCQV-UHFFFAOYSA-N 0 3 422.063 5.785 50 0 HKAAHN Cc1ccc(NC(=S)N(CCCN2CCCCC2)Cc2ccco2)cc1Cl ZINC000003662327 568923740 /nfs/dbraw/zinc/92/37/40/568923740.db2.gz KAYWUQOTPYRYJR-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)cc1Cl ZINC000003662331 568923860 /nfs/dbraw/zinc/92/38/60/568923860.db2.gz JYQIUBMVAUPWMY-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1cc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)ccc1Cl ZINC000003662368 568923817 /nfs/dbraw/zinc/92/38/17/568923817.db2.gz LWEJHOCTSFCUGO-UHFFFAOYSA-N 0 3 422.063 5.785 50 0 HKAAHN Cc1cc(NC(=S)N(CCCN2CCCCC2)Cc2ccco2)ccc1Cl ZINC000003662378 568923886 /nfs/dbraw/zinc/92/38/86/568923886.db2.gz ITWTWYDVQMTABS-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1cc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)ccc1Cl ZINC000003662382 568923855 /nfs/dbraw/zinc/92/38/55/568923855.db2.gz PPXURUPOADRTOP-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN CCc1ccc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)cc1 ZINC000003662408 568923754 /nfs/dbraw/zinc/92/37/54/568923754.db2.gz WKCSPWJKBAHGFA-UHFFFAOYSA-N 0 3 401.645 5.386 50 0 HKAAHN CCc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)cc1 ZINC000003662410 568924101 /nfs/dbraw/zinc/92/41/01/568924101.db2.gz RYBMRHGNWGOUBT-UHFFFAOYSA-N 0 3 401.645 5.386 50 0 HKAAHN Cc1ccc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)cc1C ZINC000003662436 568924022 /nfs/dbraw/zinc/92/40/22/568924022.db2.gz KPYNLCBGUDVKGS-UHFFFAOYSA-N 0 3 401.645 5.440 50 0 HKAAHN COc1ccc(Cl)cc1NC(=S)N(CCCN1CCCCC1)Cc1ccco1 ZINC000003665398 568924010 /nfs/dbraw/zinc/92/40/10/568924010.db2.gz CWRGQYHTVDPWBJ-UHFFFAOYSA-N 0 3 421.994 5.017 50 0 HKAAHN COc1ccc(Cl)cc1NC(=S)N(CCN1CCCCCC1)Cc1ccco1 ZINC000003665399 568923949 /nfs/dbraw/zinc/92/39/49/568923949.db2.gz RCZURJQIYOETNZ-UHFFFAOYSA-N 0 3 421.994 5.017 50 0 HKAAHN Cc1c(Cl)cccc1NC(=S)N(CCCN1CCCCC1)Cc1ccco1 ZINC000003665414 568923916 /nfs/dbraw/zinc/92/39/16/568923916.db2.gz SLVYAGNQMIJXJM-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1c(Cl)cccc1NC(=S)N(CCN1CCCCCC1)Cc1ccco1 ZINC000003665418 568923944 /nfs/dbraw/zinc/92/39/44/568923944.db2.gz RJUXAOISASAYEC-UHFFFAOYSA-N 0 3 405.995 5.316 50 0 HKAAHN Cc1ccc(C)c(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)c1 ZINC000003665435 568924177 /nfs/dbraw/zinc/92/41/77/568924177.db2.gz AGUGQPZDIXCNBQ-UHFFFAOYSA-N 0 3 401.645 5.440 50 0 HKAAHN CCc1ccccc1NC(=S)N(CCCN1CCCCC1)Cc1cccs1 ZINC000003665541 568924271 /nfs/dbraw/zinc/92/42/71/568924271.db2.gz JXTDASCOABVZKU-UHFFFAOYSA-N 0 3 401.645 5.386 50 0 HKAAHN CCc1ccccc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1 ZINC000003665543 568924257 /nfs/dbraw/zinc/92/42/57/568924257.db2.gz KGJXHOBUSIORCS-UHFFFAOYSA-N 0 3 401.645 5.386 50 0 HKAAHN Cc1cc(C)c(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)c(C)c1 ZINC000003665571 568924222 /nfs/dbraw/zinc/92/42/22/568924222.db2.gz NJYXWNKZZBCKMT-UHFFFAOYSA-N 0 3 415.672 5.748 50 0 HKAAHN CCc1cccc(C)c1NC(=S)N(CCCN1CCCCC1)Cc1cccs1 ZINC000003665594 568924136 /nfs/dbraw/zinc/92/41/36/568924136.db2.gz OUPZZHXSXWZYDN-UHFFFAOYSA-N 0 3 415.672 5.694 50 0 HKAAHN Cc1cccc(C)c1NC(=S)N(CCCN1CCCCC1)Cc1cccs1 ZINC000003665605 568924154 /nfs/dbraw/zinc/92/41/54/568924154.db2.gz RMYZEQTUKSWUFW-UHFFFAOYSA-N 0 3 401.645 5.440 50 0 HKAAHN Cc1cccc(C)c1NC(=S)N(CCN1CCCCCC1)Cc1cccs1 ZINC000003665608 568924265 /nfs/dbraw/zinc/92/42/65/568924265.db2.gz SZRIXWGOKZELSU-UHFFFAOYSA-N 0 3 401.645 5.440 50 0 HKAAHN COc1ccc(NC(=S)N(CCCN2CCCCC2)Cc2ccco2)cc1Cl ZINC000003665628 568924199 /nfs/dbraw/zinc/92/41/99/568924199.db2.gz IBYWDVZBEQRSIQ-UHFFFAOYSA-N 0 3 421.994 5.017 50 0 HKAAHN COc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)cc1Cl ZINC000003665629 568924170 /nfs/dbraw/zinc/92/41/70/568924170.db2.gz CGKOGTWRWNOJSB-UHFFFAOYSA-N 0 3 421.994 5.017 50 0 HKAAHN Cc1cc(C)cc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)c1 ZINC000003665693 568924397 /nfs/dbraw/zinc/92/43/97/568924397.db2.gz WQJCHUWCANRECR-UHFFFAOYSA-N 0 3 401.645 5.440 50 0 HKAAHN Cc1cc(C)cc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)c1 ZINC000003665696 568924480 /nfs/dbraw/zinc/92/44/80/568924480.db2.gz XCCBYZIKWKHTTN-UHFFFAOYSA-N 0 3 401.645 5.440 50 0 HKAAHN CSc1cccc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)c1 ZINC000003665715 568924326 /nfs/dbraw/zinc/92/43/26/568924326.db2.gz OOLYLVYLOAMEJS-UHFFFAOYSA-N 0 3 419.685 5.545 50 0 HKAAHN S=C(Nc1ccccc1Cl)N(CCCN1CCCCC1)Cc1cccs1 ZINC000003665725 568924335 /nfs/dbraw/zinc/92/43/35/568924335.db2.gz YTBLSJJCZNSNKI-UHFFFAOYSA-N 0 3 408.036 5.477 50 0 HKAAHN S=C(Nc1ccccc1Cl)N(CCN1CCCCCC1)Cc1cccs1 ZINC000003665728 568924441 /nfs/dbraw/zinc/92/44/41/568924441.db2.gz UELGWKAFVZFXQJ-UHFFFAOYSA-N 0 3 408.036 5.477 50 0 HKAAHN Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O ZINC000003964905 557503887 /nfs/dbraw/zinc/50/38/87/557503887.db2.gz OHRDCQFCAWLDBP-SBUREZEXSA-N 0 3 418.408 6.167 50 0 in-vivo HKAAHN CCCCCCN(CCCCCC)CC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004018685 568933799 /nfs/dbraw/zinc/93/37/99/568933799.db2.gz ZIKDWVDWFNZCBI-UHFFFAOYSA-N 0 3 413.650 5.850 50 0 HKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1 ZINC000004029419 568934397 /nfs/dbraw/zinc/93/43/97/568934397.db2.gz JAQCOYLHOAAQMC-XMMPIXPASA-N 0 3 418.924 5.644 50 0 biogenic HKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1 ZINC000004029420 568934370 /nfs/dbraw/zinc/93/43/70/568934370.db2.gz JAQCOYLHOAAQMC-DEOSSOPVSA-N 0 3 418.924 5.644 50 0 biogenic HKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000004043564 568936124 /nfs/dbraw/zinc/93/61/24/568936124.db2.gz WBAACEJLSDGPQG-AREMUKBSSA-N 0 3 412.533 5.607 50 0 biogenic HKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000004043565 568936079 /nfs/dbraw/zinc/93/60/79/568936079.db2.gz WBAACEJLSDGPQG-SANMLTNESA-N 0 3 412.533 5.607 50 0 biogenic HKAAHN C[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1 ZINC000004044055 568936255 /nfs/dbraw/zinc/93/62/55/568936255.db2.gz IYSJJGZMQMNANX-FHYOZOBSSA-N 0 3 423.553 5.211 50 0 HKAAHN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1OC ZINC000004061934 568881571 /nfs/dbraw/zinc/88/15/71/568881571.db2.gz KLLUXTMIHCIHJO-GXBHKBKGSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 ZINC000004064391 568937305 /nfs/dbraw/zinc/93/73/05/568937305.db2.gz KHTQBWLJEZPZAP-ZICWRXTKSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c1 ZINC000004064910 568937605 /nfs/dbraw/zinc/93/76/05/568937605.db2.gz NGTYIDRNJTUKEY-ZICWRXTKSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CC=C(c2ccc(F)cc2)CC1 ZINC000004073532 568938002 /nfs/dbraw/zinc/93/80/02/568938002.db2.gz IZOZKBXFTWQRFR-HLMLHLEXSA-N 0 3 409.545 5.373 50 0 biogenic HKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000004084569 568939879 /nfs/dbraw/zinc/93/98/79/568939879.db2.gz XNUXTLWJUVVMKR-HLMLHLEXSA-N 0 3 423.984 5.663 50 0 biogenic HKAAHN O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004177092 568949046 /nfs/dbraw/zinc/94/90/46/568949046.db2.gz WIYMWUUWENZZLH-HSZRJFAPSA-N 0 3 410.989 5.033 50 0 HKAAHN O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004177093 568949000 /nfs/dbraw/zinc/94/90/00/568949000.db2.gz WIYMWUUWENZZLH-QHCPKHFHSA-N 0 3 410.989 5.033 50 0 HKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000004179951 568949195 /nfs/dbraw/zinc/94/91/95/568949195.db2.gz ZRTZWUHONCHQGS-GGAORHGYSA-N 0 3 410.517 5.067 50 0 HKAAHN CCCCCCN(CCCCCC)CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000004181138 568949465 /nfs/dbraw/zinc/94/94/65/568949465.db2.gz JGORWRWOQYTHJH-UHFFFAOYSA-N 0 3 409.618 6.125 50 0 HKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCC(C)CC2)c1C ZINC000004247783 568953577 /nfs/dbraw/zinc/95/35/77/568953577.db2.gz CNXCLIIWQKBUJL-JOCHJYFZSA-N 0 3 408.567 6.032 50 0 HKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCC(C)CC2)c1C ZINC000004247784 568953644 /nfs/dbraw/zinc/95/36/44/568953644.db2.gz CNXCLIIWQKBUJL-QFIPXVFZSA-N 0 3 408.567 6.032 50 0 HKAAHN CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004271444 568956982 /nfs/dbraw/zinc/95/69/82/568956982.db2.gz ZGXQKISLTJLHIV-XMMPIXPASA-N 0 3 414.549 5.350 50 0 HKAAHN CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004271446 568957005 /nfs/dbraw/zinc/95/70/05/568957005.db2.gz ZGXQKISLTJLHIV-DEOSSOPVSA-N 0 3 414.549 5.350 50 0 HKAAHN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000004279611 568958523 /nfs/dbraw/zinc/95/85/23/568958523.db2.gz LLRZTMKGVGCFTO-SANMLTNESA-N 0 3 401.550 5.048 50 0 HKAAHN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000004279612 568958504 /nfs/dbraw/zinc/95/85/04/568958504.db2.gz LLRZTMKGVGCFTO-AREMUKBSSA-N 0 3 401.550 5.048 50 0 HKAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C(C)(C)NC(C)(C)C2 ZINC000004281217 568958809 /nfs/dbraw/zinc/95/88/09/568958809.db2.gz ACWAXZNKWZUQDK-UHFFFAOYSA-N 0 3 422.550 5.100 50 0 HKAAHN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000004290023 557536506 /nfs/dbraw/zinc/53/65/06/557536506.db2.gz WYDUDCFIXKXWER-FQEVSTJZSA-N 0 3 406.448 5.111 50 0 HKAAHN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000004290029 557536495 /nfs/dbraw/zinc/53/64/95/557536495.db2.gz UQEDWFQMSLBDKO-FQEVSTJZSA-N 0 3 406.448 5.111 50 0 HKAAHN c1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1-c1ccccc1 ZINC000004299556 557537350 /nfs/dbraw/zinc/53/73/50/557537350.db2.gz UUVLNXOVNYNPAB-UHFFFAOYSA-N 0 3 400.551 5.435 50 0 HKAAHN Fc1ccc(CN2CCCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000004299568 557537408 /nfs/dbraw/zinc/53/74/08/557537408.db2.gz QESWSTJVKBFWRP-UHFFFAOYSA-N 0 3 418.541 5.210 50 0 HKAAHN c1c2ncnc(NC3CCN(Cc4ccccc4)CC3)c2sc1-c1ccccc1 ZINC000004324160 557541351 /nfs/dbraw/zinc/54/13/51/557541351.db2.gz BVWZXNUIZVYPCJ-UHFFFAOYSA-N 0 3 400.551 5.435 50 0 HKAAHN CCCCc1ccc(NC(=O)N2CCN(c3cc(C)nc4ccccc43)CC2)c(C)c1 ZINC000004324565 535091296 /nfs/dbraw/zinc/09/12/96/535091296.db2.gz RSUWIHPDCRZYSI-UHFFFAOYSA-N 0 3 416.569 5.548 50 0 HKAAHN COC(=O)c1sccc1-c1ccc(CN2CCC(c3ccccc3OC)CC2)o1 ZINC000004324787 557541962 /nfs/dbraw/zinc/54/19/62/557541962.db2.gz DCYIQMOBZOKILH-UHFFFAOYSA-N 0 3 411.523 5.183 50 0 HKAAHN COc1ccccc1C1CCN(Cc2ccc(OCc3ccccc3)cc2OC)CC1 ZINC000004325031 557541920 /nfs/dbraw/zinc/54/19/20/557541920.db2.gz CJOMFNBEJPEMKE-UHFFFAOYSA-N 0 3 417.549 5.662 50 0 HKAAHN CC(C)(CC(=O)NC1CCN(Cc2ccccc2)CC1)Sc1ccc(Cl)cc1 ZINC000004334632 557543100 /nfs/dbraw/zinc/54/31/00/557543100.db2.gz XLTXTGHQOQMSHX-UHFFFAOYSA-N 0 3 417.018 5.382 50 0 HKAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCCCN1CC=C(c2ccccc2)CC1 ZINC000004336084 557543504 /nfs/dbraw/zinc/54/35/04/557543504.db2.gz LSXCGYFCOPSKNL-UHFFFAOYSA-N 0 3 410.517 5.005 50 0 HKAAHN Fc1cccc2c(OC3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)nc12 ZINC000004344975 557544570 /nfs/dbraw/zinc/54/45/70/557544570.db2.gz FGVCZDMXRMEDTD-UHFFFAOYSA-N 0 3 404.407 5.436 50 0 HKAAHN CCCCCCN(CCCCCC)CC(=O)Nc1c(C)c(CC)nc2ccccc21 ZINC000004359220 558450014 /nfs/dbraw/zinc/45/00/14/558450014.db2.gz LLJJRUDUCBYKID-UHFFFAOYSA-N 0 3 411.634 6.507 50 0 HKAAHN CCN(CC)CCN(C(=O)c1c(F)cccc1F)c1nc2c(ccc(C)c2C)s1 ZINC000004359496 558456597 /nfs/dbraw/zinc/45/65/97/558456597.db2.gz ZPRFKYONRONXKR-UHFFFAOYSA-N 0 3 417.525 5.180 50 0 HKAAHN CCN(CC)CCN(C(=O)c1c(F)cccc1F)c1nc2cc(C)cc(C)c2s1 ZINC000004359502 558456674 /nfs/dbraw/zinc/45/66/74/558456674.db2.gz FGNAURXVFVAXJQ-UHFFFAOYSA-N 0 3 417.525 5.180 50 0 HKAAHN Fc1ccc(Cn2cccc2CN(Cc2ccc(F)c(F)c2)C2CCCCC2)cc1 ZINC000004374420 558474817 /nfs/dbraw/zinc/47/48/17/558474817.db2.gz HLRGODDTOBARJX-UHFFFAOYSA-N 0 3 412.499 6.289 50 0 HKAAHN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004390801 557551104 /nfs/dbraw/zinc/55/11/04/557551104.db2.gz ILYJQZIWOABNCC-UHFFFAOYSA-N 0 3 408.929 5.303 50 0 HKAAHN Brc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1 ZINC000004399038 557552058 /nfs/dbraw/zinc/55/20/58/557552058.db2.gz AGKQMSGKWWRBDQ-UHFFFAOYSA-N 0 3 418.338 5.592 50 0 HKAAHN Clc1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccs2)cc1 ZINC000004399629 557552070 /nfs/dbraw/zinc/55/20/70/557552070.db2.gz GEFHDYPJYGXCNQ-UHFFFAOYSA-N 0 3 404.992 5.227 50 0 HKAAHN Cc1nc2ccccc2c(Nc2ccc(Nc3ccccc3)cc2)c1CN1CCCCC1 ZINC000004425988 558544000 /nfs/dbraw/zinc/54/40/00/558544000.db2.gz IPFWLUVUWIAECJ-UHFFFAOYSA-N 0 3 422.576 7.016 50 0 HKAAHN CCC[C@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004457715 558590077 /nfs/dbraw/zinc/59/00/77/558590077.db2.gz LBVRJTBQERFDLR-MHZLTWQESA-N 0 3 418.625 5.997 50 0 HKAAHN CCC[C@@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004457719 558590048 /nfs/dbraw/zinc/59/00/48/558590048.db2.gz LBVRJTBQERFDLR-HHHXNRCGSA-N 0 3 418.625 5.997 50 0 HKAAHN Cc1ccc(CN(CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)cc1 ZINC000004462613 558596548 /nfs/dbraw/zinc/59/65/48/558596548.db2.gz SWGCGLIVDSSEIM-HSZRJFAPSA-N 0 3 417.018 5.381 50 0 HKAAHN Cc1ccc(CN(CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)cc1 ZINC000004462614 558596611 /nfs/dbraw/zinc/59/66/11/558596611.db2.gz SWGCGLIVDSSEIM-QHCPKHFHSA-N 0 3 417.018 5.381 50 0 HKAAHN CN(C)CCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 ZINC000004471472 557556524 /nfs/dbraw/zinc/55/65/24/557556524.db2.gz BIMDMCJUWJXNSQ-XDOYNYLZSA-N 0 3 416.388 5.163 50 0 HKAAHN CC(C)CN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000004518284 558642203 /nfs/dbraw/zinc/64/22/03/558642203.db2.gz VRWYFKWMOGADGX-UHFFFAOYSA-N 0 3 408.517 5.106 50 0 HKAAHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000004537312 560860410 /nfs/dbraw/zinc/86/04/10/560860410.db2.gz IPHYIULARRFROB-QHCPKHFHSA-N 0 3 420.578 5.811 50 0 HKAAHN CC(C)(C)SCCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004543862 558664086 /nfs/dbraw/zinc/66/40/86/558664086.db2.gz LGWDRHONYICWHU-UHFFFAOYSA-N 0 3 424.654 5.403 50 0 HKAAHN Cc1ccc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)o1 ZINC000004549916 558673917 /nfs/dbraw/zinc/67/39/17/558673917.db2.gz YJZMRTMIHHXDQJ-UHFFFAOYSA-N 0 3 416.565 5.072 50 0 HKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004550866 569255441 /nfs/dbraw/zinc/25/54/41/569255441.db2.gz DSGABGKLGQPLDX-UHFFFAOYSA-N 0 3 420.597 5.317 50 0 HKAAHN S=C(Nc1ccc(Cl)cc1)N(CCCN1CCCCC1)Cc1cccs1 ZINC000004564827 558730376 /nfs/dbraw/zinc/73/03/76/558730376.db2.gz CERIFIHNRNSXRZ-UHFFFAOYSA-N 0 3 408.036 5.477 50 0 HKAAHN CCCCCOc1ccccc1NC(=O)O[C@H](COCCCC)CN(CC)CC ZINC000004566948 557568317 /nfs/dbraw/zinc/56/83/17/557568317.db2.gz DUKDRYPATYUSIB-FQEVSTJZSA-N 0 3 408.583 5.331 50 0 HKAAHN CCCCCOc1ccccc1NC(=O)O[C@@H](COCCCC)CN(CC)CC ZINC000004566949 557568237 /nfs/dbraw/zinc/56/82/37/557568237.db2.gz DUKDRYPATYUSIB-HXUWFJFHSA-N 0 3 408.583 5.331 50 0 HKAAHN CCN(CC)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000004585311 558775940 /nfs/dbraw/zinc/77/59/40/558775940.db2.gz KMGSIJDGILVQML-UHFFFAOYSA-N 0 3 421.488 5.304 50 0 HKAAHN O=C1c2ccccc2[C@@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000004598887 558834910 /nfs/dbraw/zinc/83/49/10/558834910.db2.gz JEZXUTVEGGFUAX-SANMLTNESA-N 0 3 404.598 6.604 50 0 HKAAHN O=C1c2ccccc2[C@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000004598888 558834939 /nfs/dbraw/zinc/83/49/39/558834939.db2.gz JEZXUTVEGGFUAX-AREMUKBSSA-N 0 3 404.598 6.604 50 0 HKAAHN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000004598920 557570997 /nfs/dbraw/zinc/57/09/97/557570997.db2.gz CACXXJWXDSOKRZ-UHFFFAOYSA-N 0 3 408.586 5.126 50 0 HKAAHN CCC(=O)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12 ZINC000004600333 558835408 /nfs/dbraw/zinc/83/54/08/558835408.db2.gz FTYCCDGEOMPAGH-UHFFFAOYSA-N 0 3 400.526 5.035 50 0 HKAAHN COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc54)CC3)n2)cc1 ZINC000004602468 536498600 /nfs/dbraw/zinc/49/86/00/536498600.db2.gz KOPSXLCFXMEYHM-UHFFFAOYSA-N 0 3 416.550 5.002 50 0 HKAAHN Cc1cccc(Cn2cccc2CN(Cc2ccc(C(F)(F)F)cc2)CC(C)C)c1 ZINC000004606765 558847754 /nfs/dbraw/zinc/84/77/54/558847754.db2.gz FXVNNIQSXKFCGO-UHFFFAOYSA-N 0 3 414.515 6.522 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652821 557576302 /nfs/dbraw/zinc/57/63/02/557576302.db2.gz FFNLFWCXKWZQKH-OUFXZLDQSA-N 0 3 420.424 6.963 50 0 HKAAHN CCC[C@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652822 557576295 /nfs/dbraw/zinc/57/62/95/557576295.db2.gz FFNLFWCXKWZQKH-VCECKLMPSA-N 0 3 420.424 6.963 50 0 HKAAHN CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652823 557576276 /nfs/dbraw/zinc/57/62/76/557576276.db2.gz FFNLFWCXKWZQKH-AEXWLAFLSA-N 0 3 420.424 6.963 50 0 HKAAHN CCC[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC ZINC000004652824 557576283 /nfs/dbraw/zinc/57/62/83/557576283.db2.gz FFNLFWCXKWZQKH-LUUIZIPLSA-N 0 3 420.424 6.963 50 0 HKAAHN CCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004652827 557576306 /nfs/dbraw/zinc/57/63/06/557576306.db2.gz JIMPELPXBXADEI-QDGJQWLKSA-N 0 3 406.397 6.573 50 0 HKAAHN COc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000004657413 557576868 /nfs/dbraw/zinc/57/68/68/557576868.db2.gz ILIXWBURLOOXBK-UHFFFAOYSA-N 0 3 418.748 5.095 50 0 HKAAHN CC(C)N(C(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(C)C)CC1 ZINC000004669243 558877229 /nfs/dbraw/zinc/87/72/29/558877229.db2.gz XMXXAKVLGBFUJO-UHFFFAOYSA-N 0 3 411.615 5.759 50 0 HKAAHN CC(C)CCN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)C)CC1 ZINC000004669323 558877197 /nfs/dbraw/zinc/87/71/97/558877197.db2.gz VTCCIMFTGXLREY-UHFFFAOYSA-N 0 3 415.569 5.623 50 0 HKAAHN Clc1ccc(-c2n[nH]cc2CN2CCC(Cc3ccccc3)CC2)c(Cl)c1 ZINC000004678740 558890072 /nfs/dbraw/zinc/89/00/72/558890072.db2.gz ODGMYCKRVHQEAV-UHFFFAOYSA-N 0 3 400.353 5.838 50 0 HKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004679135 557580279 /nfs/dbraw/zinc/58/02/79/557580279.db2.gz WVSBWKSGOLJPME-UHFFFAOYSA-N 0 3 420.597 5.317 50 0 HKAAHN CC(C)(C)c1cc(CN2CCC(C(=O)N3CCCCC3)CC2)cc(C(C)(C)C)c1O ZINC000004681370 558893936 /nfs/dbraw/zinc/89/39/36/558893936.db2.gz UNDRRCVSNHKFSR-UHFFFAOYSA-N 0 3 414.634 5.212 50 0 HKAAHN CCCCN(CC)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004681473 558894712 /nfs/dbraw/zinc/89/47/12/558894712.db2.gz BGMWJDWRDVDDJJ-UHFFFAOYSA-N 0 3 408.586 5.126 50 0 HKAAHN CN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004681513 558894683 /nfs/dbraw/zinc/89/46/83/558894683.db2.gz TVTVMOSTCUXKIN-UHFFFAOYSA-N 0 3 414.549 5.350 50 0 HKAAHN COc1ccc(NC(=S)N(CCC(C)C)C2CCN(C(C)C)CC2)cc1Cl ZINC000004687112 558896044 /nfs/dbraw/zinc/89/60/44/558896044.db2.gz HNDWHMKTONQBSA-UHFFFAOYSA-N 0 3 412.043 5.266 50 0 HKAAHN C[C@H](Cc1ccccc1)NCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000004697278 568928181 /nfs/dbraw/zinc/92/81/81/568928181.db2.gz MSXWFYBNKMNHSE-MRXNPFEDSA-N 0 3 408.954 5.690 50 0 HKAAHN CC(C)(C)c1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(C(C)(C)C)c1O ZINC000004699176 558907206 /nfs/dbraw/zinc/90/72/06/558907206.db2.gz KAMDYDMGGFJGOC-UHFFFAOYSA-N 0 3 414.634 5.258 50 0 HKAAHN COc1ccc(CCN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1OC ZINC000004699199 558907115 /nfs/dbraw/zinc/90/71/15/558907115.db2.gz DGMKTUPPIQWSRM-KAVGSWPWSA-N 0 3 413.561 5.975 50 0 HKAAHN Clc1ccc(CCN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c(Cl)c1 ZINC000004699221 558907140 /nfs/dbraw/zinc/90/71/40/558907140.db2.gz KQHGKDULKFFGCW-FNCQTZNRSA-N 0 3 422.399 7.265 50 0 HKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000004700121 558907857 /nfs/dbraw/zinc/90/78/57/558907857.db2.gz NSGCSJGXVNSCTF-UHFFFAOYSA-N 0 3 414.549 5.316 50 0 HKAAHN C[C@@H](NC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)c1ccccc1 ZINC000004700441 558908167 /nfs/dbraw/zinc/90/81/67/558908167.db2.gz GPJGUORWKZOJFI-OAQYLSRUSA-N 0 3 414.549 5.568 50 0 HKAAHN CCC1=Nc2cc(C(=O)NCCN3CCCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004712589 558917798 /nfs/dbraw/zinc/91/77/98/558917798.db2.gz YYOUITHUXSPWKO-UHFFFAOYSA-N 0 3 421.610 5.596 50 0 HKAAHN COC(=O)c1cccc(CN(Cc2cccn2Cc2cccc(C)c2)CC(C)C)c1 ZINC000004717097 558915859 /nfs/dbraw/zinc/91/58/59/558915859.db2.gz QQIZRBNQIDMYHG-UHFFFAOYSA-N 0 3 404.554 5.290 50 0 HKAAHN CCCCCCN(CCCCCC)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000004718774 558916223 /nfs/dbraw/zinc/91/62/23/558916223.db2.gz RIZPBTBZLCPMSF-UHFFFAOYSA-N 0 3 424.633 5.628 50 0 HKAAHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004744947 559046455 /nfs/dbraw/zinc/04/64/55/559046455.db2.gz KBZQQDJSSIHXRV-HSZRJFAPSA-N 0 3 410.989 5.033 50 0 HKAAHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004744950 559046442 /nfs/dbraw/zinc/04/64/42/559046442.db2.gz KBZQQDJSSIHXRV-QHCPKHFHSA-N 0 3 410.989 5.033 50 0 HKAAHN CSc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000004745059 559046487 /nfs/dbraw/zinc/04/64/87/559046487.db2.gz WPYCCSDWVUEJDE-DEOSSOPVSA-N 0 3 422.638 5.102 50 0 HKAAHN CSc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000004745061 559046463 /nfs/dbraw/zinc/04/64/63/559046463.db2.gz WPYCCSDWVUEJDE-XMMPIXPASA-N 0 3 422.638 5.102 50 0 HKAAHN CC(C)(C)c1cc(CCC2=NCCc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000004765443 559054766 /nfs/dbraw/zinc/05/47/66/559054766.db2.gz UADSCLOJPZNERG-UHFFFAOYSA-N 0 3 402.582 6.447 50 0 HKAAHN COc1ccccc1N1CCN(CCCCCCOc2cccc3ccccc32)CC1 ZINC000004794503 132288849 /nfs/dbraw/zinc/28/88/49/132288849.db2.gz ZAHKVFNEZRPWEW-UHFFFAOYSA-N 0 3 418.581 5.610 50 0 HKAAHN COc1ccccc1N1CCN(CCCCCCOc2cc(C)ccc2Cl)CC1 ZINC000004794817 132288927 /nfs/dbraw/zinc/28/89/27/132288927.db2.gz KRZBQPMKEXAIBT-UHFFFAOYSA-N 0 3 416.993 5.418 50 0 HKAAHN CC[C@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004796972 559066376 /nfs/dbraw/zinc/06/63/76/559066376.db2.gz UZWPTDZVUXLWSO-SANMLTNESA-N 0 3 404.598 5.607 50 0 HKAAHN CC[C@@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004796973 559066449 /nfs/dbraw/zinc/06/64/49/559066449.db2.gz UZWPTDZVUXLWSO-AREMUKBSSA-N 0 3 404.598 5.607 50 0 HKAAHN CCOc1ccc(C2=C(CN(C)C)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000004833969 559165135 /nfs/dbraw/zinc/16/51/35/559165135.db2.gz PQBWSADFQMBVPS-RUZDIDTESA-N 0 3 403.497 5.722 50 0 HKAAHN CCOc1ccc(C2=C(CN(C)C)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000004833970 559165118 /nfs/dbraw/zinc/16/51/18/559165118.db2.gz PQBWSADFQMBVPS-VWLOTQADSA-N 0 3 403.497 5.722 50 0 HKAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000004834751 559165352 /nfs/dbraw/zinc/16/53/52/559165352.db2.gz IZCHBQUTGJMSCP-VWLOTQADSA-N 0 3 409.533 5.319 50 0 HKAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000004834752 559165340 /nfs/dbraw/zinc/16/53/40/559165340.db2.gz IZCHBQUTGJMSCP-RUZDIDTESA-N 0 3 409.533 5.319 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004860337 559192881 /nfs/dbraw/zinc/19/28/81/559192881.db2.gz AZDLYSBFWZXLKW-VWLOTQADSA-N 0 3 411.549 5.584 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004860339 559192902 /nfs/dbraw/zinc/19/29/02/559192902.db2.gz AZDLYSBFWZXLKW-RUZDIDTESA-N 0 3 411.549 5.584 50 0 HKAAHN CCCCN(C)CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004874252 559195016 /nfs/dbraw/zinc/19/50/16/559195016.db2.gz DZFWWAVPDDTZTO-UHFFFAOYSA-N 0 3 401.963 5.078 50 0 HKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cccc(Cl)c2)cc1 ZINC000004904199 557611566 /nfs/dbraw/zinc/61/15/66/557611566.db2.gz HSGDZXWWKWTTPD-UHFFFAOYSA-N 0 3 423.940 5.712 50 0 HKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cccc(F)c2)cc1 ZINC000004904202 557611631 /nfs/dbraw/zinc/61/16/31/557611631.db2.gz OVOQXQUCCYJNSF-UHFFFAOYSA-N 0 3 407.485 5.198 50 0 HKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cc(C)ccc3C)C[C@@H]21 ZINC000004908118 559201014 /nfs/dbraw/zinc/20/10/14/559201014.db2.gz WBQGKBLODROXBD-QHCPKHFHSA-N 0 3 419.569 5.056 50 0 HKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cc(C)ccc3C)C[C@H]21 ZINC000004908122 559200998 /nfs/dbraw/zinc/20/09/98/559200998.db2.gz WBQGKBLODROXBD-HSZRJFAPSA-N 0 3 419.569 5.056 50 0 HKAAHN CCc1ccccc1Nc1cc(C(=O)NCCN2CCCCCC2)c2ccccc2n1 ZINC000004910379 559202083 /nfs/dbraw/zinc/20/20/83/559202083.db2.gz IYWOIVUKGYAZRF-UHFFFAOYSA-N 0 3 416.569 5.147 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000004910557 559202366 /nfs/dbraw/zinc/20/23/66/559202366.db2.gz LYHGXRXTRCTFMN-VWLOTQADSA-N 0 3 411.549 5.584 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000004910564 559202369 /nfs/dbraw/zinc/20/23/69/559202369.db2.gz LYHGXRXTRCTFMN-RUZDIDTESA-N 0 3 411.549 5.584 50 0 HKAAHN Cc1ccc(C)c(Nc2cc(C(=O)NCCN3CCCCCC3)c3ccccc3n2)c1 ZINC000004911019 559202604 /nfs/dbraw/zinc/20/26/04/559202604.db2.gz RZSFSTMDPYBJRB-UHFFFAOYSA-N 0 3 416.569 5.201 50 0 HKAAHN Cc1ccc(Nc2cc(C(=O)NCCN3CCCCCC3)c3ccccc3n2)c(C)c1 ZINC000004911159 559202556 /nfs/dbraw/zinc/20/25/56/559202556.db2.gz WWTQTNMTENFZTH-UHFFFAOYSA-N 0 3 416.569 5.201 50 0 HKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000004926521 559207819 /nfs/dbraw/zinc/20/78/19/559207819.db2.gz MWVBJHRLUFVQQM-UHFFFAOYSA-N 0 3 414.515 6.604 50 0 HKAAHN CCC1=Nc2cc(C(=O)NCCN3CCCC[C@@H]3C)ccc2Sc2ccccc21 ZINC000004929505 559208826 /nfs/dbraw/zinc/20/88/26/559208826.db2.gz GOXUSRMJTTULLU-KRWDZBQOSA-N 0 3 407.583 5.286 50 0 HKAAHN CCC1=Nc2cc(C(=O)NCCN3CCCC[C@H]3C)ccc2Sc2ccccc21 ZINC000004929509 559208778 /nfs/dbraw/zinc/20/87/78/559208778.db2.gz GOXUSRMJTTULLU-QGZVFWFLSA-N 0 3 407.583 5.286 50 0 HKAAHN CCCC1=Nc2cc(C(=O)NC[C@@H]3CCCN3CC)ccc2Sc2ccccc21 ZINC000004929633 559208942 /nfs/dbraw/zinc/20/89/42/559208942.db2.gz FGBQHTNHHDIUMW-SFHVURJKSA-N 0 3 407.583 5.286 50 0 HKAAHN CCCC1=Nc2cc(C(=O)NC[C@H]3CCCN3CC)ccc2Sc2ccccc21 ZINC000004929639 559208925 /nfs/dbraw/zinc/20/89/25/559208925.db2.gz FGBQHTNHHDIUMW-GOSISDBHSA-N 0 3 407.583 5.286 50 0 HKAAHN CN(CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)Cc1ccccc1 ZINC000004958277 559216301 /nfs/dbraw/zinc/21/63/01/559216301.db2.gz HZSMLOMFQAOLDQ-UHFFFAOYSA-N 0 3 421.972 5.019 50 0 HKAAHN Cc1ccc2nc(Cl)c3cc(C(=O)NCCN4CCCCCC4)sc3c2c1 ZINC000004961653 559217805 /nfs/dbraw/zinc/21/78/05/559217805.db2.gz OLWNJAFENBXKNY-UHFFFAOYSA-N 0 3 401.963 5.017 50 0 HKAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977770 557619611 /nfs/dbraw/zinc/61/96/11/557619611.db2.gz KXBMQPHGEBSHNK-LJQANCHMSA-N 0 3 400.950 5.213 50 0 HKAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004977772 557619661 /nfs/dbraw/zinc/61/96/61/557619661.db2.gz KXBMQPHGEBSHNK-IBGZPJMESA-N 0 3 400.950 5.213 50 0 HKAAHN C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980377 132297401 /nfs/dbraw/zinc/29/74/01/132297401.db2.gz KCQBXTRGJHSTQQ-HNNXBMFYSA-N 0 3 416.409 5.477 50 0 HKAAHN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980378 132297391 /nfs/dbraw/zinc/29/73/91/132297391.db2.gz KCQBXTRGJHSTQQ-OAHLLOKOSA-N 0 3 416.409 5.477 50 0 HKAAHN FC(F)(F)c1cccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 ZINC000004980383 132297363 /nfs/dbraw/zinc/29/73/63/132297363.db2.gz CZUVZZHXNLRXNJ-UHFFFAOYSA-N 0 3 408.467 5.599 50 0 HKAAHN COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000004988068 557621638 /nfs/dbraw/zinc/62/16/38/557621638.db2.gz GLEUPKCYTMEQNJ-UHFFFAOYSA-N 0 3 401.550 5.729 50 0 HKAAHN COc1cc(CNCC(C)C)c(Br)cc1OCc1ccccc1Cl ZINC000005013802 557625514 /nfs/dbraw/zinc/62/55/14/557625514.db2.gz QXLCWCLEYBDBCY-UHFFFAOYSA-N 0 3 412.755 5.436 50 0 HKAAHN COc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCc3ccccc3)ccc2c1 ZINC000005014095 557625873 /nfs/dbraw/zinc/62/58/73/557625873.db2.gz UFXQOHMLHSYFGA-UHFFFAOYSA-N 0 3 419.528 5.991 50 0 HKAAHN COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025076 557627181 /nfs/dbraw/zinc/62/71/81/557627181.db2.gz VXHVUKKYMOSWJM-NLIITUHUSA-N 0 3 401.550 5.612 50 0 HKAAHN Cc1cccc2c1-c1sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1CO2 ZINC000005049608 559236457 /nfs/dbraw/zinc/23/64/57/559236457.db2.gz MQJCSQTZESPCAR-UHFFFAOYSA-N 0 3 418.562 5.010 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000005050338 569071713 /nfs/dbraw/zinc/07/17/13/569071713.db2.gz NPMUOLZCKWSOGS-UHFFFAOYSA-N 0 3 400.522 5.504 50 0 HKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000005092438 559244033 /nfs/dbraw/zinc/24/40/33/559244033.db2.gz LWRBYPZAAZEDAP-SANMLTNESA-N 0 3 423.560 5.709 50 0 HKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000005092441 559244060 /nfs/dbraw/zinc/24/40/60/559244060.db2.gz LWRBYPZAAZEDAP-AREMUKBSSA-N 0 3 423.560 5.709 50 0 HKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000005092698 559244071 /nfs/dbraw/zinc/24/40/71/559244071.db2.gz ULXVZOXVDHHWGV-FQEVSTJZSA-N 0 3 416.352 5.349 50 0 HKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000005092701 559244038 /nfs/dbraw/zinc/24/40/38/559244038.db2.gz ULXVZOXVDHHWGV-HXUWFJFHSA-N 0 3 416.352 5.349 50 0 HKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000005092932 559244114 /nfs/dbraw/zinc/24/41/14/559244114.db2.gz IXKSMAWTHOQNQN-FQEVSTJZSA-N 0 3 416.352 5.349 50 0 HKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000005092933 559244161 /nfs/dbraw/zinc/24/41/61/559244161.db2.gz IXKSMAWTHOQNQN-HXUWFJFHSA-N 0 3 416.352 5.349 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092991 569282979 /nfs/dbraw/zinc/28/29/79/569282979.db2.gz VFAWGBCDSAPHQM-VWLOTQADSA-N 0 3 411.549 5.585 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092995 569282983 /nfs/dbraw/zinc/28/29/83/569282983.db2.gz VFAWGBCDSAPHQM-RUZDIDTESA-N 0 3 411.549 5.585 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093672 559244279 /nfs/dbraw/zinc/24/42/79/559244279.db2.gz FWIMWRAGFVUMJK-AMHVUCMBSA-N 0 3 403.541 6.152 50 0 HKAAHN O=C(NCCc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005102801 557636329 /nfs/dbraw/zinc/63/63/29/557636329.db2.gz RGXPMYXGDYNWOW-UHFFFAOYSA-N 0 3 412.577 5.114 50 0 HKAAHN CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=N)oc2c1 ZINC000005118892 559247424 /nfs/dbraw/zinc/24/74/24/559247424.db2.gz MNZIDYDKYVQMSS-UHFFFAOYSA-N 0 3 403.404 5.030 50 0 HKAAHN CCN(CC)CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2s1 ZINC000005121851 559248564 /nfs/dbraw/zinc/24/85/64/559248564.db2.gz WOWAMVWHVSZYFC-UHFFFAOYSA-N 0 3 405.926 5.077 50 0 HKAAHN CCN(CC)CCN(C(=O)c1cccc(C)c1)c1nc2ccc(Cl)cc2s1 ZINC000005121882 559248474 /nfs/dbraw/zinc/24/84/74/559248474.db2.gz PVMYGZSZIZEMOK-UHFFFAOYSA-N 0 3 401.963 5.247 50 0 HKAAHN CCN(CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Cl)cc2s1 ZINC000005121889 559248489 /nfs/dbraw/zinc/24/84/89/559248489.db2.gz GROQKLBZGVOENP-CSKARUKUSA-N 0 3 420.003 5.399 50 0 HKAAHN O=C(Nc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005123329 557637399 /nfs/dbraw/zinc/63/73/99/557637399.db2.gz HHOUATCPQDHGTB-UHFFFAOYSA-N 0 3 402.513 5.533 50 0 HKAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1SC2 ZINC000005141801 559251718 /nfs/dbraw/zinc/25/17/18/559251718.db2.gz DXMTYDIGMRQILA-UHFFFAOYSA-N 0 3 420.603 5.199 50 0 HKAAHN CCN(CC)CCN(C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2s1 ZINC000005239802 558453357 /nfs/dbraw/zinc/45/33/57/558453357.db2.gz FPHJPNWFRUIGNF-UHFFFAOYSA-N 0 3 411.571 5.072 50 0 HKAAHN CC(C)c1nc2sc3c(ncnc3SCCN3CCCCC3)c2c2c1CCC2 ZINC000005253956 560552025 /nfs/dbraw/zinc/55/20/25/560552025.db2.gz KYLWIXJJRKVKMJ-UHFFFAOYSA-N 0 3 412.628 5.430 50 0 HKAAHN CSc1ccc(/C=C/c2nc(-c3ccccc3O)n(CCN3CCCCC3)n2)cc1 ZINC000005274462 560561447 /nfs/dbraw/zinc/56/14/47/560561447.db2.gz JPBFJGSSINSKBI-SDNWHVSQSA-N 0 3 420.582 5.029 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000005296416 560562409 /nfs/dbraw/zinc/56/24/09/560562409.db2.gz SZKFGMWDEZPUCX-VWLOTQADSA-N 0 3 411.549 5.585 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000005296419 560562417 /nfs/dbraw/zinc/56/24/17/560562417.db2.gz SZKFGMWDEZPUCX-RUZDIDTESA-N 0 3 411.549 5.585 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005296803 560562449 /nfs/dbraw/zinc/56/24/49/560562449.db2.gz AAKKBDRKAVVXOV-QFIPXVFZSA-N 0 3 409.961 5.394 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005296806 560562474 /nfs/dbraw/zinc/56/24/74/560562474.db2.gz AAKKBDRKAVVXOV-JOCHJYFZSA-N 0 3 409.961 5.394 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000005297340 560562439 /nfs/dbraw/zinc/56/24/39/560562439.db2.gz KAJBUMKEKNZLFR-QFIPXVFZSA-N 0 3 409.961 5.392 50 0 HKAAHN Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000005297342 560562467 /nfs/dbraw/zinc/56/24/67/560562467.db2.gz KAJBUMKEKNZLFR-JOCHJYFZSA-N 0 3 409.961 5.392 50 0 HKAAHN CCCCCCOCCN(CCOCCCCCC)CCOCCCCCC ZINC000005297639 557643876 /nfs/dbraw/zinc/64/38/76/557643876.db2.gz KTRBHWYAVSJAKJ-UHFFFAOYSA-N 0 3 401.676 6.079 50 0 HKAAHN CCCN1CCC2(CC1)Oc1c(C)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005297940 560562455 /nfs/dbraw/zinc/56/24/55/560562455.db2.gz IQOAPWMPEWUSKE-QFIPXVFZSA-N 0 3 409.961 5.394 50 0 HKAAHN CCCN1CCC2(CC1)Oc1c(C)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005297942 560562464 /nfs/dbraw/zinc/56/24/64/560562464.db2.gz IQOAPWMPEWUSKE-JOCHJYFZSA-N 0 3 409.961 5.394 50 0 HKAAHN O[C@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000005336410 560567015 /nfs/dbraw/zinc/56/70/15/560567015.db2.gz MAIAKFREYFMMMC-RUZDIDTESA-N 0 3 420.556 5.858 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C)CC1)O2 ZINC000005478446 560595202 /nfs/dbraw/zinc/59/52/02/560595202.db2.gz SAOVAMPHQMDJNU-FQEVSTJZSA-N 0 3 416.352 5.267 50 0 HKAAHN Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C)CC1)O2 ZINC000005478447 560595184 /nfs/dbraw/zinc/59/51/84/560595184.db2.gz SAOVAMPHQMDJNU-HXUWFJFHSA-N 0 3 416.352 5.267 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000005499854 560598368 /nfs/dbraw/zinc/59/83/68/560598368.db2.gz JWEDLZSOKGASAB-QFIPXVFZSA-N 0 3 409.961 5.394 50 0 HKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000005499859 560598359 /nfs/dbraw/zinc/59/83/59/560598359.db2.gz JWEDLZSOKGASAB-JOCHJYFZSA-N 0 3 409.961 5.394 50 0 HKAAHN Cc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000005499900 560598419 /nfs/dbraw/zinc/59/84/19/560598419.db2.gz CCURQVIDEDJLLQ-JOCHJYFZSA-N 0 3 409.961 5.392 50 0 HKAAHN Cc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000005499902 560598339 /nfs/dbraw/zinc/59/83/39/560598339.db2.gz CCURQVIDEDJLLQ-QFIPXVFZSA-N 0 3 409.961 5.392 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000005499929 560598405 /nfs/dbraw/zinc/59/84/05/560598405.db2.gz CLBGSIPBFRQRGK-QFIPXVFZSA-N 0 3 409.961 5.392 50 0 HKAAHN Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000005499930 560598416 /nfs/dbraw/zinc/59/84/16/560598416.db2.gz CLBGSIPBFRQRGK-JOCHJYFZSA-N 0 3 409.961 5.392 50 0 HKAAHN CCOC(=O)c1c(CN(CC)CC)oc2c1c(Cl)c(OC(C)=O)c1ccccc21 ZINC000005509478 560600616 /nfs/dbraw/zinc/60/06/16/560600616.db2.gz XDYHIDIKRFJIQX-UHFFFAOYSA-N 0 3 417.889 5.183 50 0 HKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN(Cc1ccccc1)Cc1ccccc1 ZINC000005554217 560626204 /nfs/dbraw/zinc/62/62/04/560626204.db2.gz SDTFOLHRRAPYRQ-RUZDIDTESA-N 0 3 419.568 6.252 50 0 HKAAHN O[C@@H](CC1c2ccccc2-c2ccccc21)CN(Cc1ccccc1)Cc1ccccc1 ZINC000005554224 560608950 /nfs/dbraw/zinc/60/89/50/560608950.db2.gz SDTFOLHRRAPYRQ-VWLOTQADSA-N 0 3 419.568 6.252 50 0 HKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(C3CCCC3)CC2)c1-c1ccccc1 ZINC000005560914 132306799 /nfs/dbraw/zinc/30/67/99/132306799.db2.gz NPKJZZBECQUUNU-UHFFFAOYSA-N 0 3 417.601 5.067 50 0 HKAAHN COc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000005578590 557663000 /nfs/dbraw/zinc/66/30/00/557663000.db2.gz MYBVFDLXEHKLBT-UHFFFAOYSA-N 0 3 414.549 5.402 50 0 HKAAHN CCOC(=O)c1c(NC(=O)CNCCC(C)C)sc(Cl)c1-c1ccc(C)cc1 ZINC000005598403 560628572 /nfs/dbraw/zinc/62/85/72/560628572.db2.gz FKPGIWZXAIWQLQ-UHFFFAOYSA-N 0 3 422.978 5.128 50 0 HKAAHN COc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000005607298 560629993 /nfs/dbraw/zinc/62/99/93/560629993.db2.gz CFJJGWMNGLHVFE-UHFFFAOYSA-N 0 3 414.549 5.402 50 0 HKAAHN Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000005613783 557665375 /nfs/dbraw/zinc/66/53/75/557665375.db2.gz WZSNTHQEAXWJEY-UHFFFAOYSA-N 0 3 412.577 6.010 50 0 HKAAHN Fc1cccc(CN2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)c1 ZINC000005626230 560632461 /nfs/dbraw/zinc/63/24/61/560632461.db2.gz SQNQGGBTQIUKMR-UHFFFAOYSA-N 0 3 403.423 5.614 50 0 HKAAHN Brc1ccc2c(c1)[C@H](O[C@@H]1CN3CCC1CC3)c1ccccc1CS2 ZINC000005648314 560636412 /nfs/dbraw/zinc/63/64/12/560636412.db2.gz LVUDIWHCHFHYEK-TZIWHRDSSA-N 0 3 416.384 5.255 50 0 HKAAHN Brc1ccc2c(c1)[C@H](O[C@H]1CN3CCC1CC3)c1ccccc1CS2 ZINC000005648317 560636336 /nfs/dbraw/zinc/63/63/36/560636336.db2.gz LVUDIWHCHFHYEK-PZJWPPBQSA-N 0 3 416.384 5.255 50 0 HKAAHN Brc1ccc2c(c1)[C@@H](O[C@@H]1CN3CCC1CC3)c1ccccc1CS2 ZINC000005648318 560636406 /nfs/dbraw/zinc/63/64/06/560636406.db2.gz LVUDIWHCHFHYEK-CTNGQTDRSA-N 0 3 416.384 5.255 50 0 HKAAHN Brc1ccc2c(c1)[C@@H](O[C@H]1CN3CCC1CC3)c1ccccc1CS2 ZINC000005648321 560636397 /nfs/dbraw/zinc/63/63/97/560636397.db2.gz LVUDIWHCHFHYEK-FPOVZHCZSA-N 0 3 416.384 5.255 50 0 HKAAHN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccc(CC)cc1 ZINC000005657613 560636961 /nfs/dbraw/zinc/63/69/61/560636961.db2.gz MTCRYMSDSDRMDO-UHFFFAOYSA-N 0 3 417.549 5.621 50 0 HKAAHN O=C(NCCCOc1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1Cl ZINC000005671346 560773150 /nfs/dbraw/zinc/77/31/50/560773150.db2.gz AIPWUSSWYNAAMV-UHFFFAOYSA-N 0 3 421.368 5.178 50 0 HKAAHN COc1ccc(C2=CC(=O)N(CCCN3CCCCC3)c3ccccc3S2)cc1 ZINC000005675783 557668099 /nfs/dbraw/zinc/66/80/99/557668099.db2.gz WAIREXVYDPTPGS-UHFFFAOYSA-N 0 3 408.567 5.051 50 0 HKAAHN S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000005694719 560786598 /nfs/dbraw/zinc/78/65/98/560786598.db2.gz LDFAZJJZAMMKNC-UHFFFAOYSA-N 0 3 417.578 5.430 50 0 HKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCCCC2)c1C ZINC000005721684 560853693 /nfs/dbraw/zinc/85/36/93/560853693.db2.gz IELIHWFLESPBKD-OAQYLSRUSA-N 0 3 410.608 6.254 50 0 HKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCCCC2)c1C ZINC000005721695 560853701 /nfs/dbraw/zinc/85/37/01/560853701.db2.gz IELIHWFLESPBKD-NRFANRHFSA-N 0 3 410.608 6.254 50 0 HKAAHN Clc1cccc(CN2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c1 ZINC000005762758 568454799 /nfs/dbraw/zinc/45/47/99/568454799.db2.gz GCYCQBIKZVSZSX-UHFFFAOYSA-N 0 3 401.941 6.263 50 0 HKAAHN CCOc1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1 ZINC000005809196 557675686 /nfs/dbraw/zinc/67/56/86/557675686.db2.gz OEDVOBHPYXBCGS-UHFFFAOYSA-N 0 3 418.924 6.918 50 0 HKAAHN c1csc(-c2nnc(COc3ccc4ccccc4c3CN3CCCCC3)o2)c1 ZINC000005938655 568830663 /nfs/dbraw/zinc/83/06/63/568830663.db2.gz NXSCTBLEOWEYMM-UHFFFAOYSA-N 0 3 405.523 5.516 50 0 HKAAHN CCCCN(CCCC)[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000005938727 568830671 /nfs/dbraw/zinc/83/06/71/568830671.db2.gz MDXICUWTOGCNAC-QFIPXVFZSA-N 0 3 402.966 5.931 50 0 HKAAHN CCCCN(CCCC)[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000005938728 568830679 /nfs/dbraw/zinc/83/06/79/568830679.db2.gz MDXICUWTOGCNAC-JOCHJYFZSA-N 0 3 402.966 5.931 50 0 HKAAHN CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000005959430 568832543 /nfs/dbraw/zinc/83/25/43/568832543.db2.gz RUTINENOWYAQPV-QFIPXVFZSA-N 0 3 424.566 5.794 50 0 HKAAHN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000005959452 568832484 /nfs/dbraw/zinc/83/24/84/568832484.db2.gz RUTINENOWYAQPV-JOCHJYFZSA-N 0 3 424.566 5.794 50 0 HKAAHN CN(C)CCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000005999420 568834751 /nfs/dbraw/zinc/83/47/51/568834751.db2.gz KRTZAMUKGAJNOB-UHFFFAOYSA-N 0 3 406.580 5.049 50 0 HKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)N2CCCCC2)c1C ZINC000006009402 568835092 /nfs/dbraw/zinc/83/50/92/568835092.db2.gz UGGNCLXQISJLDT-QFIPXVFZSA-N 0 3 408.567 6.094 50 0 HKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)N2CCCCC2)c1C ZINC000006054041 568988648 /nfs/dbraw/zinc/98/86/48/568988648.db2.gz UGGNCLXQISJLDT-JOCHJYFZSA-N 0 3 408.567 6.094 50 0 HKAAHN Cc1ccc(C)c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000006189871 557693374 /nfs/dbraw/zinc/69/33/74/557693374.db2.gz ONIGDYJSXUWMRX-UHFFFAOYSA-N 0 3 412.577 6.010 50 0 HKAAHN COc1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1 ZINC000006266035 569036084 /nfs/dbraw/zinc/03/60/84/569036084.db2.gz AJYYNRJECSPCJK-UHFFFAOYSA-N 0 3 404.897 6.528 50 0 HKAAHN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNCC1CCCCC1 ZINC000006350321 569044703 /nfs/dbraw/zinc/04/47/03/569044703.db2.gz RLGKVWFPXAMYGE-UHFFFAOYSA-N 0 3 414.571 5.009 50 0 HKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCC(C)CC2)c1C ZINC000006418256 569046990 /nfs/dbraw/zinc/04/69/90/569046990.db2.gz DIQLDYWXNCGCRD-XMMPIXPASA-N 0 3 418.606 6.439 50 0 HKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCC(C)CC2)c1C ZINC000006418258 569046984 /nfs/dbraw/zinc/04/69/84/569046984.db2.gz DIQLDYWXNCGCRD-DEOSSOPVSA-N 0 3 418.606 6.439 50 0 HKAAHN FC(F)(F)c1cc(CO[C@@H]2CCCN[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000006475812 557704437 /nfs/dbraw/zinc/70/44/37/557704437.db2.gz FCDRFVCGMLUYPG-QZTJIDSGSA-N 0 3 403.366 5.734 50 0 HKAAHN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CNC1CCCCCCC1 ZINC000006497646 569061389 /nfs/dbraw/zinc/06/13/89/569061389.db2.gz YAWUYKRAXUQQRO-UHFFFAOYSA-N 0 3 414.571 5.233 50 0 HKAAHN CCN(CC)c1ccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=N)oc2c1 ZINC000006517594 569062830 /nfs/dbraw/zinc/06/28/30/569062830.db2.gz XOMVUPVRFGLXSM-UHFFFAOYSA-N 0 3 404.297 5.318 50 0 HKAAHN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=N)oc2c1 ZINC000006517602 569062772 /nfs/dbraw/zinc/06/27/72/569062772.db2.gz NKZUIGZDLFFOIA-UHFFFAOYSA-N 0 3 404.297 5.318 50 0 HKAAHN CSc1ccc(CN(C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530329 569063452 /nfs/dbraw/zinc/06/34/52/569063452.db2.gz NXDKGKAEGNEFPJ-RSXGOPAZSA-N 0 3 421.606 5.316 50 0 HKAAHN CSc1ccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530331 569063416 /nfs/dbraw/zinc/06/34/16/569063416.db2.gz NXDKGKAEGNEFPJ-AZGAKELHSA-N 0 3 421.606 5.316 50 0 HKAAHN CSc1ccc(CN(C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530332 569063421 /nfs/dbraw/zinc/06/34/21/569063421.db2.gz NXDKGKAEGNEFPJ-AHWVRZQESA-N 0 3 421.606 5.316 50 0 HKAAHN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CN[C@@H](C)c2ccccc2)cc1 ZINC000006602438 569069906 /nfs/dbraw/zinc/06/99/06/569069906.db2.gz VDRKOTYPFIRAOX-IBGZPJMESA-N 0 3 401.941 6.352 50 0 HKAAHN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CN[C@H](C)c2ccccc2)cc1 ZINC000006602439 569069890 /nfs/dbraw/zinc/06/98/90/569069890.db2.gz VDRKOTYPFIRAOX-LJQANCHMSA-N 0 3 401.941 6.352 50 0 HKAAHN CCOc1ccc(CN(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000006639749 569078004 /nfs/dbraw/zinc/07/80/04/569078004.db2.gz UPSVXKSMDHJMEU-UHFFFAOYSA-N 0 3 413.602 6.027 50 0 HKAAHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 ZINC000006642149 569078276 /nfs/dbraw/zinc/07/82/76/569078276.db2.gz KHTQBWLJEZPZAP-OMZFVACUSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c1 ZINC000006642256 569078319 /nfs/dbraw/zinc/07/83/19/569078319.db2.gz NGTYIDRNJTUKEY-OMZFVACUSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN CCN1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3ccc(Cl)cc32)CC1 ZINC000006654833 569082866 /nfs/dbraw/zinc/08/28/66/569082866.db2.gz PADZUTPWKUXSFU-UHFFFAOYSA-N 0 3 413.974 5.139 50 0 HKAAHN Clc1ccc(Oc2cccc(CN3CCC4(C=Cc5ccccc54)CC3)c2)cc1 ZINC000006667461 557712987 /nfs/dbraw/zinc/71/29/87/557712987.db2.gz HAISWYXVCMTGIE-UHFFFAOYSA-N 0 3 401.937 6.693 50 0 HKAAHN Clc1ccc2ccccc2c1OCCCCCN1CCCC[C@@H]1c1cccnc1 ZINC000006673229 569087196 /nfs/dbraw/zinc/08/71/96/569087196.db2.gz CRYJQBVZDPENQK-XMMPIXPASA-N 0 3 408.973 6.665 50 0 HKAAHN Clc1ccc2ccccc2c1OCCCCCN1CCCC[C@H]1c1cccnc1 ZINC000006673232 569087191 /nfs/dbraw/zinc/08/71/91/569087191.db2.gz CRYJQBVZDPENQK-DEOSSOPVSA-N 0 3 408.973 6.665 50 0 biogenic HKAAHN Clc1ccc(OCCOCCN2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000006719410 569097759 /nfs/dbraw/zinc/09/77/59/569097759.db2.gz XJRGGTBCZSMPKH-HSZRJFAPSA-N 0 3 410.945 5.511 50 0 HKAAHN Clc1ccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000006719411 569097682 /nfs/dbraw/zinc/09/76/82/569097682.db2.gz XJRGGTBCZSMPKH-QHCPKHFHSA-N 0 3 410.945 5.511 50 0 biogenic HKAAHN COc1ccc(-c2noc(CNC3CCCCCCCCCCC3)n2)cc1OC ZINC000006737029 569104853 /nfs/dbraw/zinc/10/48/53/569104853.db2.gz XNOXMONNAIOGMM-UHFFFAOYSA-N 0 3 401.551 5.517 50 0 HKAAHN CCCC[C@H](CC)COC[C@H](C)CO[C@H](COC[C@@H](CC)CCCC)CN(C)C ZINC000006778719 557720559 /nfs/dbraw/zinc/72/05/59/557720559.db2.gz OXQSXJOQFXUCQG-QORCZRPOSA-N 0 3 415.703 6.035 50 0 HKAAHN Fc1ccc(-c2csc3ncnc(N[C@H]4CCN(Cc5ccccc5)C4)c23)cc1 ZINC000006785867 569121824 /nfs/dbraw/zinc/12/18/24/569121824.db2.gz GLGDVHMEQLEMMV-IBGZPJMESA-N 0 3 404.514 5.184 50 0 HKAAHN Fc1ccc(-c2csc3ncnc(N[C@@H]4CCN(Cc5ccccc5)C4)c23)cc1 ZINC000006785869 569121773 /nfs/dbraw/zinc/12/17/73/569121773.db2.gz GLGDVHMEQLEMMV-LJQANCHMSA-N 0 3 404.514 5.184 50 0 HKAAHN Cc1ccc2c(c1)[nH]c(C(=O)NCCN1CCCC1)c2Sc1ccc(Cl)cc1 ZINC000006798835 569125984 /nfs/dbraw/zinc/12/59/84/569125984.db2.gz OFZWLIDLKRGUSD-UHFFFAOYSA-N 0 3 413.974 5.107 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000006832690 557725952 /nfs/dbraw/zinc/72/59/52/557725952.db2.gz FLGIVVFXBDKILZ-NRFANRHFSA-N 0 3 413.924 5.223 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000006832784 557725947 /nfs/dbraw/zinc/72/59/47/557725947.db2.gz QKRCBHWOMOEWTQ-SFHVURJKSA-N 0 3 401.963 5.146 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000006832804 557725997 /nfs/dbraw/zinc/72/59/97/557725997.db2.gz FLGIVVFXBDKILZ-OAQYLSRUSA-N 0 3 413.924 5.223 50 0 HKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000006832903 557726025 /nfs/dbraw/zinc/72/60/25/557726025.db2.gz QKRCBHWOMOEWTQ-GOSISDBHSA-N 0 3 401.963 5.146 50 0 HKAAHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1OC ZINC000006847523 569154013 /nfs/dbraw/zinc/15/40/13/569154013.db2.gz KLLUXTMIHCIHJO-CDCUFJRJSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877428 569164197 /nfs/dbraw/zinc/16/41/97/569164197.db2.gz RGVJHDYIBRHUPD-IBGZPJMESA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877429 569164212 /nfs/dbraw/zinc/16/42/12/569164212.db2.gz RGVJHDYIBRHUPD-LJQANCHMSA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877430 569164234 /nfs/dbraw/zinc/16/42/34/569164234.db2.gz CDNYRSUSZJUZPY-FQEVSTJZSA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877431 569164301 /nfs/dbraw/zinc/16/43/01/569164301.db2.gz CDNYRSUSZJUZPY-HXUWFJFHSA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@H](NC(=O)Nc1cc(C)ccc1C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877432 569164309 /nfs/dbraw/zinc/16/43/09/569164309.db2.gz SNXJOLBLQZTHFJ-IBGZPJMESA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@@H](NC(=O)Nc1cc(C)ccc1C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877433 569164250 /nfs/dbraw/zinc/16/42/50/569164250.db2.gz SNXJOLBLQZTHFJ-LJQANCHMSA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877434 569164176 /nfs/dbraw/zinc/16/41/76/569164176.db2.gz CYBGFASFUKVIBE-FQEVSTJZSA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877435 569164274 /nfs/dbraw/zinc/16/42/74/569164274.db2.gz CYBGFASFUKVIBE-HXUWFJFHSA-N 0 3 422.598 5.416 50 0 HKAAHN CC[C@H](NC(=O)Nc1cccc(C)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877436 569164169 /nfs/dbraw/zinc/16/41/69/569164169.db2.gz PLQNYXJQQTYVFJ-IBGZPJMESA-N 0 3 408.571 5.108 50 0 HKAAHN CC[C@@H](NC(=O)Nc1cccc(C)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877437 569164159 /nfs/dbraw/zinc/16/41/59/569164159.db2.gz PLQNYXJQQTYVFJ-LJQANCHMSA-N 0 3 408.571 5.108 50 0 HKAAHN CC[C@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000006877440 569164140 /nfs/dbraw/zinc/16/41/40/569164140.db2.gz BCDVSJNFQPPQLX-FQEVSTJZSA-N 0 3 422.598 5.498 50 0 HKAAHN CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000006877441 569164285 /nfs/dbraw/zinc/16/42/85/569164285.db2.gz BCDVSJNFQPPQLX-HXUWFJFHSA-N 0 3 422.598 5.498 50 0 HKAAHN CCc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)cc1 ZINC000006877444 569164334 /nfs/dbraw/zinc/16/43/34/569164334.db2.gz BXPQHLDFGULBPV-KRWDZBQOSA-N 0 3 422.598 5.362 50 0 HKAAHN CCc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)cc1 ZINC000006877445 569164396 /nfs/dbraw/zinc/16/43/96/569164396.db2.gz BXPQHLDFGULBPV-QGZVFWFLSA-N 0 3 422.598 5.362 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cccc(C)c2C)C1 ZINC000006877446 569164369 /nfs/dbraw/zinc/16/43/69/569164369.db2.gz UBXGRHXPVLOIIY-GOSISDBHSA-N 0 3 422.598 5.416 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cccc(C)c2C)C1 ZINC000006877447 569164340 /nfs/dbraw/zinc/16/43/40/569164340.db2.gz UBXGRHXPVLOIIY-SFHVURJKSA-N 0 3 422.598 5.416 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000006877448 569164410 /nfs/dbraw/zinc/16/44/10/569164410.db2.gz UTHNATOZTOEKHC-GOSISDBHSA-N 0 3 422.598 5.416 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000006877449 569164404 /nfs/dbraw/zinc/16/44/04/569164404.db2.gz UTHNATOZTOEKHC-SFHVURJKSA-N 0 3 422.598 5.416 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000006877450 569164445 /nfs/dbraw/zinc/16/44/45/569164445.db2.gz AGVTUDXTAJDOEM-QGZVFWFLSA-N 0 3 408.571 5.108 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000006877451 569164460 /nfs/dbraw/zinc/16/44/60/569164460.db2.gz AGVTUDXTAJDOEM-KRWDZBQOSA-N 0 3 408.571 5.108 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C)C1 ZINC000006877452 569164422 /nfs/dbraw/zinc/16/44/22/569164422.db2.gz ATEXUYQEHYKYDQ-QGZVFWFLSA-N 0 3 408.571 5.108 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2C)C1 ZINC000006877453 569164361 /nfs/dbraw/zinc/16/43/61/569164361.db2.gz ATEXUYQEHYKYDQ-KRWDZBQOSA-N 0 3 408.571 5.108 50 0 HKAAHN CCc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000006877454 569164463 /nfs/dbraw/zinc/16/44/63/569164463.db2.gz ULNQWSGKZPZNLN-KRWDZBQOSA-N 0 3 422.598 5.362 50 0 HKAAHN CCc1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000006877455 569164416 /nfs/dbraw/zinc/16/44/16/569164416.db2.gz ULNQWSGKZPZNLN-QGZVFWFLSA-N 0 3 422.598 5.362 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000006877456 569164466 /nfs/dbraw/zinc/16/44/66/569164466.db2.gz CBZANGGTDBXNCE-GOSISDBHSA-N 0 3 422.598 5.416 50 0 HKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000006877457 569164374 /nfs/dbraw/zinc/16/43/74/569164374.db2.gz CBZANGGTDBXNCE-SFHVURJKSA-N 0 3 422.598 5.416 50 0 HKAAHN O=C(Nc1ccccc1Cl)N(Cc1ccco1)C1CCN(Cc2ccccc2)CC1 ZINC000006877554 569164522 /nfs/dbraw/zinc/16/45/22/569164522.db2.gz OGTMKNOCKSZBMZ-UHFFFAOYSA-N 0 3 423.944 5.632 50 0 HKAAHN CCc1ccc(NC(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000006877555 569164533 /nfs/dbraw/zinc/16/45/33/569164533.db2.gz FZFUPFFDLITBFC-UHFFFAOYSA-N 0 3 417.553 5.541 50 0 HKAAHN Cc1cccc(NC(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3)CC2)c1C ZINC000006877556 569164515 /nfs/dbraw/zinc/16/45/15/569164515.db2.gz PXKUSMZNRYYHKU-UHFFFAOYSA-N 0 3 417.553 5.595 50 0 HKAAHN Cc1ccc(NC(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000006877558 569164471 /nfs/dbraw/zinc/16/44/71/569164471.db2.gz KBHANECCZHTNTD-UHFFFAOYSA-N 0 3 421.516 5.426 50 0 HKAAHN O=C(Nc1ccccc1F)N(Cc1ccco1)C1CCN(Cc2ccccc2)CC1 ZINC000006877559 569164474 /nfs/dbraw/zinc/16/44/74/569164474.db2.gz QOLVXLWZCIQZOQ-UHFFFAOYSA-N 0 3 407.489 5.117 50 0 HKAAHN Cc1ccc(CN(C(=O)Nc2ccccc2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000006877649 569164628 /nfs/dbraw/zinc/16/46/28/569164628.db2.gz CSIPAGSJVZFWIC-UHFFFAOYSA-N 0 3 403.526 5.287 50 0 HKAAHN Cc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(Cc3ccccc3)CC2)o1 ZINC000006877655 569164587 /nfs/dbraw/zinc/16/45/87/569164587.db2.gz ONHUUVZRKXHXAQ-UHFFFAOYSA-N 0 3 421.516 5.426 50 0 HKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006877658 569164682 /nfs/dbraw/zinc/16/46/82/569164682.db2.gz TZRJZKYNOLYTSC-UHFFFAOYSA-N 0 3 412.386 5.573 50 0 HKAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000006877661 569164609 /nfs/dbraw/zinc/16/46/09/569164609.db2.gz AUGIBIJLECHEHA-UHFFFAOYSA-N 0 3 415.965 5.175 50 0 HKAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000006877663 569164647 /nfs/dbraw/zinc/16/46/47/569164647.db2.gz MNQPXVOKIVBGJR-UHFFFAOYSA-N 0 3 415.965 5.175 50 0 HKAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000006877664 569164641 /nfs/dbraw/zinc/16/46/41/569164641.db2.gz IRBUJVRIRYAENU-UHFFFAOYSA-N 0 3 415.965 5.175 50 0 HKAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000006877675 569164664 /nfs/dbraw/zinc/16/46/64/569164664.db2.gz FXQPCLZDGPVALK-UHFFFAOYSA-N 0 3 403.929 5.306 50 0 HKAAHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000006927336 557730425 /nfs/dbraw/zinc/73/04/25/557730425.db2.gz POFKIMJZNMOAJA-SKBVVQJISA-N 0 3 402.582 5.060 50 0 HKAAHN Cc1ccc2nc(-c3ccccc3)c(CN3CCC(C(=O)Nc4ccccc4)CC3)n2c1 ZINC000007001094 569198808 /nfs/dbraw/zinc/19/88/08/569198808.db2.gz FFWOQACUSPCTNH-UHFFFAOYSA-N 0 3 424.548 5.160 50 0 HKAAHN Cc1cccc(CN(C)CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000007078297 569217967 /nfs/dbraw/zinc/21/79/67/569217967.db2.gz HTAITCAZHVHSQM-UHFFFAOYSA-N 0 3 414.376 6.540 50 0 HKAAHN CCOC(=O)CCCCCCNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000007078389 569218055 /nfs/dbraw/zinc/21/80/55/569218055.db2.gz UGUQGMJSNDMTRT-UHFFFAOYSA-N 0 3 408.369 6.186 50 0 HKAAHN COc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000007538481 557745898 /nfs/dbraw/zinc/74/58/98/557745898.db2.gz YCZMKPQPUUTEPA-UHFFFAOYSA-N 0 3 401.481 5.856 50 0 HKAAHN C[C@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664195 569299680 /nfs/dbraw/zinc/29/96/80/569299680.db2.gz XDSZRYRRMMHLAM-HOTGVXAUSA-N 0 3 421.591 5.626 50 0 HKAAHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccs1 ZINC000007664196 569299770 /nfs/dbraw/zinc/29/97/70/569299770.db2.gz XDSZRYRRMMHLAM-CVEARBPZSA-N 0 3 421.591 5.626 50 0 HKAAHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664197 569299727 /nfs/dbraw/zinc/29/97/27/569299727.db2.gz XDSZRYRRMMHLAM-JKSUJKDBSA-N 0 3 421.591 5.626 50 0 HKAAHN C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007664198 569299677 /nfs/dbraw/zinc/29/96/77/569299677.db2.gz XDSZRYRRMMHLAM-HZPDHXFCSA-N 0 3 421.591 5.626 50 0 HKAAHN O=C(Cc1coc2ccc3ccccc3c12)NC[C@@H](c1cccs1)N1CCCC1 ZINC000007686885 569300792 /nfs/dbraw/zinc/30/07/92/569300792.db2.gz UEWPKQWPLZYCCK-FQEVSTJZSA-N 0 3 404.535 5.143 50 0 HKAAHN O=C(Cc1coc2ccc3ccccc3c12)NC[C@H](c1cccs1)N1CCCC1 ZINC000007686893 569300831 /nfs/dbraw/zinc/30/08/31/569300831.db2.gz UEWPKQWPLZYCCK-HXUWFJFHSA-N 0 3 404.535 5.143 50 0 HKAAHN CN(C)Cc1ccccc1CNC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 ZINC000007718362 569302052 /nfs/dbraw/zinc/30/20/52/569302052.db2.gz HEHKVVIVACJDCL-UHFFFAOYSA-N 0 3 421.610 5.167 50 0 HKAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)c1ccc(C)c(C)c1 ZINC000007736181 569304963 /nfs/dbraw/zinc/30/49/63/569304963.db2.gz SVWMLJWWVVICBZ-DEOSSOPVSA-N 0 3 405.538 5.023 50 0 HKAAHN COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)c1ccc(C)c(C)c1 ZINC000007736183 569304948 /nfs/dbraw/zinc/30/49/48/569304948.db2.gz SVWMLJWWVVICBZ-XMMPIXPASA-N 0 3 405.538 5.023 50 0 HKAAHN c1c(-c2ccccc2)sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12 ZINC000007783056 569310170 /nfs/dbraw/zinc/31/01/70/569310170.db2.gz KBPNJCCORFMDHJ-UHFFFAOYSA-N 0 3 400.551 5.435 50 0 HKAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cc(Br)ccc1Cl ZINC000007849927 569314594 /nfs/dbraw/zinc/31/45/94/569314594.db2.gz DRYWMJLRBOTLQK-UHFFFAOYSA-N 0 3 421.766 5.018 50 0 HKAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000007850062 569314629 /nfs/dbraw/zinc/31/46/29/569314629.db2.gz HRCCPOHPZUACRD-UHFFFAOYSA-N 0 3 423.944 5.219 50 0 HKAAHN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000007941518 569401903 /nfs/dbraw/zinc/40/19/03/569401903.db2.gz PSOVMNJAQWRLLK-UHFFFAOYSA-N 0 3 411.596 5.096 50 0 HKAAHN COc1cc(CNCCSc2ccc(C)cc2)ccc1OCc1csc(C)n1 ZINC000007983977 568963940 /nfs/dbraw/zinc/96/39/40/568963940.db2.gz YNQWYHHSZAYKFO-UHFFFAOYSA-N 0 3 414.596 5.229 50 0 HKAAHN CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000008003882 568967742 /nfs/dbraw/zinc/96/77/42/568967742.db2.gz FHPJRVUWDOFEPD-DEOSSOPVSA-N 0 3 419.500 5.003 50 0 HKAAHN CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000008003883 568967752 /nfs/dbraw/zinc/96/77/52/568967752.db2.gz FHPJRVUWDOFEPD-XMMPIXPASA-N 0 3 419.500 5.003 50 0 HKAAHN CCN1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2C)CC1 ZINC000008025797 132327125 /nfs/dbraw/zinc/32/71/25/132327125.db2.gz KWUTVZXCIPSPOZ-UHFFFAOYSA-N 0 3 419.594 5.021 50 0 HKAAHN Fc1ccc(-c2cc3ncnc(NC4CCN(Cc5ccccc5)CC4)c3s2)cc1 ZINC000008071674 568971640 /nfs/dbraw/zinc/97/16/40/568971640.db2.gz WTIFACPPPONTFN-UHFFFAOYSA-N 0 3 418.541 5.574 50 0 HKAAHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254013 557778222 /nfs/dbraw/zinc/77/82/22/557778222.db2.gz RPRFFSDTJPPQNL-KRWDZBQOSA-N 0 3 413.920 6.308 50 0 HKAAHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254015 557778244 /nfs/dbraw/zinc/77/82/44/557778244.db2.gz RPRFFSDTJPPQNL-QGZVFWFLSA-N 0 3 413.920 6.308 50 0 HKAAHN CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254028 557778283 /nfs/dbraw/zinc/77/82/83/557778283.db2.gz QBWCPWSPAGMUFB-GFCCVEGCSA-N 0 3 418.748 5.095 50 0 HKAAHN CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254029 557778252 /nfs/dbraw/zinc/77/82/52/557778252.db2.gz QBWCPWSPAGMUFB-LBPRGKRZSA-N 0 3 418.748 5.095 50 0 HKAAHN c1ccc(-c2noc(CCCN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000008275291 568986857 /nfs/dbraw/zinc/98/68/57/568986857.db2.gz WWQJLOGHDZXYFI-UHFFFAOYSA-N 0 3 404.539 5.159 50 0 HKAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008367139 568995524 /nfs/dbraw/zinc/99/55/24/568995524.db2.gz JOBCUNWJZCPZBA-QFIPXVFZSA-N 0 3 423.516 5.013 50 0 HKAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008367140 568995482 /nfs/dbraw/zinc/99/54/82/568995482.db2.gz JOBCUNWJZCPZBA-JOCHJYFZSA-N 0 3 423.516 5.013 50 0 HKAAHN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008395422 568999285 /nfs/dbraw/zinc/99/92/85/568999285.db2.gz MTGYJMJNQSVEEW-HSZRJFAPSA-N 0 3 414.505 5.047 50 0 HKAAHN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008395423 568999375 /nfs/dbraw/zinc/99/93/75/568999375.db2.gz MTGYJMJNQSVEEW-QHCPKHFHSA-N 0 3 414.505 5.047 50 0 HKAAHN CCCOc1ccc(CN[C@@H](C)c2ccc(OC)c(Br)c2)cc1OCC ZINC000008395696 568999570 /nfs/dbraw/zinc/99/95/70/568999570.db2.gz KIRXEGYOINSXOQ-HNNXBMFYSA-N 0 3 422.363 5.496 50 0 HKAAHN CCCOc1ccc(CN[C@H](C)c2ccc(OC)c(Br)c2)cc1OCC ZINC000008395697 568999553 /nfs/dbraw/zinc/99/95/53/568999553.db2.gz KIRXEGYOINSXOQ-OAHLLOKOSA-N 0 3 422.363 5.496 50 0 HKAAHN COc1ccc(NC(=O)c2ccc(CN(C)Cc3ccc(SC)cc3)cc2)cc1 ZINC000008428038 569002322 /nfs/dbraw/zinc/00/23/22/569002322.db2.gz FCYNIQNSYQTUEP-UHFFFAOYSA-N 0 3 406.551 5.301 50 0 HKAAHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2Cl)cc1 ZINC000008474516 557792548 /nfs/dbraw/zinc/79/25/48/557792548.db2.gz GEFFRZYUOXPHFI-UHFFFAOYSA-N 0 3 411.929 5.269 50 0 HKAAHN COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)c1cc(C)c(C)cc1C ZINC000008491107 571060995 /nfs/dbraw/zinc/06/09/95/571060995.db2.gz FEDMXGHBZMNGLE-XMMPIXPASA-N 0 3 405.538 5.023 50 0 HKAAHN COc1cc(CNCc2ccccc2)ccc1OC[C@H](O)c1cc(C)c(C)cc1C ZINC000008491108 571061041 /nfs/dbraw/zinc/06/10/41/571061041.db2.gz FEDMXGHBZMNGLE-DEOSSOPVSA-N 0 3 405.538 5.023 50 0 HKAAHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2)cc1OC ZINC000008493584 557793148 /nfs/dbraw/zinc/79/31/48/557793148.db2.gz JOQHQICOOALVNL-UHFFFAOYSA-N 0 3 411.929 5.269 50 0 HKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008534232 557794070 /nfs/dbraw/zinc/79/40/70/557794070.db2.gz AWCYTFMFXNWFKD-INIZCTEOSA-N 0 3 416.348 6.432 50 0 HKAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008535304 557794176 /nfs/dbraw/zinc/79/41/76/557794176.db2.gz AWCYTFMFXNWFKD-MRXNPFEDSA-N 0 3 416.348 6.432 50 0 HKAAHN CCN(Cc1ccccc1)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O ZINC000008573235 571082321 /nfs/dbraw/zinc/08/23/21/571082321.db2.gz XFOQRACRUBXFDP-UHFFFAOYSA-N 0 3 412.533 5.850 50 0 HKAAHN CN(CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)Cc1ccccc1 ZINC000008599187 571089219 /nfs/dbraw/zinc/08/92/19/571089219.db2.gz QOEZDQKGQQRBCZ-UHFFFAOYSA-N 0 3 423.969 5.355 50 0 HKAAHN COc1cc(CN[C@@H](C)c2ccncc2)ccc1OCCOc1ccccc1Cl ZINC000008707023 571103807 /nfs/dbraw/zinc/10/38/07/571103807.db2.gz CQZCIZAIKFZXBN-KRWDZBQOSA-N 0 3 412.917 5.052 50 0 HKAAHN COc1cc(CN[C@H](C)c2ccncc2)ccc1OCCOc1ccccc1Cl ZINC000008707026 571103966 /nfs/dbraw/zinc/10/39/66/571103966.db2.gz CQZCIZAIKFZXBN-QGZVFWFLSA-N 0 3 412.917 5.052 50 0 HKAAHN Cc1ccc2nc(-c3ccccc3)c(CN3CCC(c4nc5ccccc5o4)CC3)n2c1 ZINC000008719838 571106698 /nfs/dbraw/zinc/10/66/98/571106698.db2.gz GSZLGACRIVDLTH-UHFFFAOYSA-N 0 3 422.532 5.831 50 0 HKAAHN CCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000008721040 557802144 /nfs/dbraw/zinc/80/21/44/557802144.db2.gz JIMPELPXBXADEI-WKWMAYMFSA-N 0 3 406.397 6.573 50 0 HKAAHN CCCCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000008721043 557802067 /nfs/dbraw/zinc/80/20/67/557802067.db2.gz JIMPELPXBXADEI-TYRYXLHPSA-N 0 3 406.397 6.573 50 0 HKAAHN Cc1[nH]nc(-c2ccc(OCC[NH+]3CCCCC3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000008743824 571111037 /nfs/dbraw/zinc/11/10/37/571111037.db2.gz SXNSSGUTRKALGZ-UHFFFAOYSA-N 0 3 411.933 5.276 50 0 HKAAHN c1ccc(Oc2cccc(OCCOCCN3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000008744559 571111008 /nfs/dbraw/zinc/11/10/08/571111008.db2.gz YSGJOMYLZFTKJP-AREMUKBSSA-N 0 3 418.537 5.497 50 0 biogenic HKAAHN c1ccc(Oc2cccc(OCCOCCN3CCCC[C@H]3c3cccnc3)c2)cc1 ZINC000008744560 571111031 /nfs/dbraw/zinc/11/10/31/571111031.db2.gz YSGJOMYLZFTKJP-SANMLTNESA-N 0 3 418.537 5.497 50 0 biogenic HKAAHN CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 ZINC000008783323 571119529 /nfs/dbraw/zinc/11/95/29/571119529.db2.gz XUZDNDCWDBUHKM-UHFFFAOYSA-N 0 3 418.537 5.023 50 0 HKAAHN Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)cc1 ZINC000008855394 569390510 /nfs/dbraw/zinc/39/05/10/569390510.db2.gz AHNALRAMTSQXPD-UHFFFAOYSA-N 0 3 420.771 6.417 50 0 HKAAHN CCCCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008863005 571129122 /nfs/dbraw/zinc/12/91/22/571129122.db2.gz WSIOWRLPAMRZCV-QFIPXVFZSA-N 0 3 400.588 5.274 50 0 HKAAHN CCCCOc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 ZINC000008863006 571129100 /nfs/dbraw/zinc/12/91/00/571129100.db2.gz WSIOWRLPAMRZCV-JOCHJYFZSA-N 0 3 400.588 5.274 50 0 HKAAHN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008863163 571129051 /nfs/dbraw/zinc/12/90/51/571129051.db2.gz AIDDPLRWGNVSIW-DEOSSOPVSA-N 0 3 404.579 5.762 50 0 HKAAHN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008863164 571128903 /nfs/dbraw/zinc/12/89/03/571128903.db2.gz AIDDPLRWGNVSIW-XMMPIXPASA-N 0 3 404.579 5.762 50 0 HKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccco3)sc2c1 ZINC000009448634 571259820 /nfs/dbraw/zinc/25/98/20/571259820.db2.gz GYYBHURVDGBUMC-LJQANCHMSA-N 0 3 414.442 5.054 50 0 HKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccco3)sc2c1 ZINC000009448637 571259816 /nfs/dbraw/zinc/25/98/16/571259816.db2.gz GYYBHURVDGBUMC-IBGZPJMESA-N 0 3 414.442 5.054 50 0 HKAAHN S=C(NC1CCCC1)N(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1 ZINC000009482467 557844024 /nfs/dbraw/zinc/84/40/24/557844024.db2.gz VTJQLOSUESCSIH-UHFFFAOYSA-N 0 3 421.654 5.218 50 0 HKAAHN Clc1ccc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)cc1 ZINC000009483038 557844031 /nfs/dbraw/zinc/84/40/31/557844031.db2.gz UUTUQALHMMXPBC-UHFFFAOYSA-N 0 3 423.973 5.176 50 0 HKAAHN CCN(CCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)Cc1ccccc1 ZINC000009528748 571266349 /nfs/dbraw/zinc/26/63/49/571266349.db2.gz YZOGIHYVSXXCKC-UHFFFAOYSA-N 0 3 403.551 5.010 50 0 HKAAHN CCC[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000009530555 571266771 /nfs/dbraw/zinc/26/67/71/571266771.db2.gz GXLDTVIDFYRCTI-QFIPXVFZSA-N 0 3 401.510 5.008 50 0 HKAAHN CCC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000009530557 571266731 /nfs/dbraw/zinc/26/67/31/571266731.db2.gz GXLDTVIDFYRCTI-JOCHJYFZSA-N 0 3 401.510 5.008 50 0 HKAAHN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCCN2CCCCC2)nn1 ZINC000009578239 571270032 /nfs/dbraw/zinc/27/00/32/571270032.db2.gz YZJNUMUQOIJRAX-UHFFFAOYSA-N 0 3 414.575 5.293 50 0 HKAAHN Cc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCCCC4)cc3)s2)cs1 ZINC000010105415 571295101 /nfs/dbraw/zinc/29/51/01/571295101.db2.gz HYXGQVQPLJQTQY-UHFFFAOYSA-N 0 3 411.596 5.096 50 0 HKAAHN Clc1ccc(COc2ccc(Cl)cc2CNCCCn2ccnc2)c(Cl)c1 ZINC000010314051 557859359 /nfs/dbraw/zinc/85/93/59/557859359.db2.gz PAJAQCDCCCGJPN-UHFFFAOYSA-N 0 3 424.759 5.602 50 0 HKAAHN C[C@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315499 557859663 /nfs/dbraw/zinc/85/96/63/557859663.db2.gz GEUFYPMTYMMXRC-KRWDZBQOSA-N 0 3 409.360 6.847 50 0 HKAAHN C[C@@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315500 557859702 /nfs/dbraw/zinc/85/97/02/557859702.db2.gz GEUFYPMTYMMXRC-QGZVFWFLSA-N 0 3 409.360 6.847 50 0 HKAAHN Cc1c(CNCc2cccnc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315518 557859633 /nfs/dbraw/zinc/85/96/33/557859633.db2.gz GXWVRKDTNHKGPJ-UHFFFAOYSA-N 0 3 410.348 5.990 50 0 HKAAHN Clc1ccc(Cn2cc(CNCc3cccs3)c3ccccc32)c(Cl)c1 ZINC000010315544 557859687 /nfs/dbraw/zinc/85/96/87/557859687.db2.gz AHWAUEZNXXVYEX-UHFFFAOYSA-N 0 3 401.362 6.348 50 0 HKAAHN Cc1c(CNCc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl ZINC000010315585 557859646 /nfs/dbraw/zinc/85/96/46/557859646.db2.gz JCNUZXFHFNGVMB-UHFFFAOYSA-N 0 3 418.924 5.670 50 0 HKAAHN Cc1ccc(CNCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000010315659 557859693 /nfs/dbraw/zinc/85/96/93/557859693.db2.gz ZLFFREXNTVOXPD-UHFFFAOYSA-N 0 3 409.360 6.595 50 0 HKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000010450875 132247763 /nfs/dbraw/zinc/24/77/63/132247763.db2.gz SCYPRBUBLNWKQZ-UHFFFAOYSA-N 0 3 415.562 5.664 50 0 HKAAHN Fc1ccc(CNCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000010475215 558258166 /nfs/dbraw/zinc/25/81/66/558258166.db2.gz MHIWTTVVDDBUEL-UHFFFAOYSA-N 0 3 400.291 5.457 50 0 HKAAHN Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1C ZINC000011121630 558853633 /nfs/dbraw/zinc/85/36/33/558853633.db2.gz BCESAXDYIJWBIU-UHFFFAOYSA-N 0 3 412.577 6.010 50 0 HKAAHN CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(F)cc2s1 ZINC000011612416 559113752 /nfs/dbraw/zinc/11/37/52/559113752.db2.gz JIJNOIUCEUUHFU-UHFFFAOYSA-N 0 3 421.541 5.577 50 0 HKAAHN CCCCc1ncc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)[nH]1 ZINC000011663530 558267333 /nfs/dbraw/zinc/26/73/33/558267333.db2.gz RWNDDFRTUAGBNA-UHFFFAOYSA-N 0 3 402.970 5.037 50 0 HKAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011719602 558272086 /nfs/dbraw/zinc/27/20/86/558272086.db2.gz XZFPNGCMNKBQOV-IBGZPJMESA-N 0 3 407.533 5.555 50 0 HKAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011719612 558272069 /nfs/dbraw/zinc/27/20/69/558272069.db2.gz XZFPNGCMNKBQOV-LJQANCHMSA-N 0 3 407.533 5.555 50 0 HKAAHN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000011765525 558273905 /nfs/dbraw/zinc/27/39/05/558273905.db2.gz HLPBEDGJJBVCHH-MRXNPFEDSA-N 0 3 406.979 5.349 50 0 HKAAHN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000011765533 558273917 /nfs/dbraw/zinc/27/39/17/558273917.db2.gz HLPBEDGJJBVCHH-INIZCTEOSA-N 0 3 406.979 5.349 50 0 HKAAHN c1[nH]nc(C2CCN(Cc3cccc4c3OCO4)CC2)c1-c1ccc2ccccc2c1 ZINC000011785163 558275839 /nfs/dbraw/zinc/27/58/39/558275839.db2.gz VGAMUWVXXJXDQX-UHFFFAOYSA-N 0 3 411.505 5.338 50 0 HKAAHN COc1cc(CNCc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)cc(OC)c1 ZINC000011786942 558276342 /nfs/dbraw/zinc/27/63/42/558276342.db2.gz FPTDMDOYGAGILO-UHFFFAOYSA-N 0 3 416.496 5.656 50 0 HKAAHN Cc1ccc2cc(CN3CC=C(c4ccccc4)CC3)c(=O)n(Cc3ccccn3)c2c1 ZINC000011790503 558277499 /nfs/dbraw/zinc/27/74/99/558277499.db2.gz PIMKUAPWKDVWMR-UHFFFAOYSA-N 0 3 421.544 5.043 50 0 HKAAHN Cc1ccc(CNC2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)o1 ZINC000011790717 132350739 /nfs/dbraw/zinc/35/07/39/132350739.db2.gz XVJKWTSMXMIPQH-UHFFFAOYSA-N 0 3 417.553 5.216 50 0 HKAAHN O=C(CCC1CCN(CCCC(F)(F)F)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000011814876 558279067 /nfs/dbraw/zinc/27/90/67/558279067.db2.gz IRFJASZSEJMERD-UHFFFAOYSA-N 0 3 424.429 5.156 50 0 HKAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(-c3ccco3)cc2)CC1)C1CCCC1 ZINC000011817077 558280463 /nfs/dbraw/zinc/28/04/63/558280463.db2.gz ZFCKSASYXIEKGE-UHFFFAOYSA-N 0 3 418.541 5.109 50 0 HKAAHN CSc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1 ZINC000011817176 558280456 /nfs/dbraw/zinc/28/04/56/558280456.db2.gz XATUUBKKLSEXER-UHFFFAOYSA-N 0 3 423.607 5.383 50 0 HKAAHN Cc1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000011820772 558284279 /nfs/dbraw/zinc/28/42/79/558284279.db2.gz BSAQGOUITYXYDT-OAQYLSRUSA-N 0 3 403.501 5.047 50 0 HKAAHN Cc1cccc(CN2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000011820773 558284242 /nfs/dbraw/zinc/28/42/42/558284242.db2.gz BSAQGOUITYXYDT-NRFANRHFSA-N 0 3 403.501 5.047 50 0 HKAAHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)s1 ZINC000011821696 558284829 /nfs/dbraw/zinc/28/48/29/558284829.db2.gz PNJHAAQLPRCKAM-UHFFFAOYSA-N 0 3 407.539 5.095 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2cccn2-c2ccccn2)C1 ZINC000011821749 558284743 /nfs/dbraw/zinc/28/47/43/558284743.db2.gz PDDJSBCMBAVEOY-JOCHJYFZSA-N 0 3 415.516 5.000 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NCc2cccn2-c2ccccn2)C1 ZINC000011821750 558285036 /nfs/dbraw/zinc/28/50/36/558285036.db2.gz PDDJSBCMBAVEOY-QFIPXVFZSA-N 0 3 415.516 5.000 50 0 HKAAHN O=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1Cl ZINC000011841378 558286956 /nfs/dbraw/zinc/28/69/56/558286956.db2.gz BPNZVQKZOBUSKT-RMKNXTFCSA-N 0 3 420.944 5.139 50 0 HKAAHN Cc1ccc(C)c(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1 ZINC000011842157 558287527 /nfs/dbraw/zinc/28/75/27/558287527.db2.gz SUCGNJQTTWTERN-UHFFFAOYSA-N 0 3 422.960 5.243 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccs3)CC2)c1 ZINC000011842219 558287532 /nfs/dbraw/zinc/28/75/32/558287532.db2.gz ZTUBOMBDUIGPQL-UHFFFAOYSA-N 0 3 406.551 5.274 50 0 HKAAHN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000011843135 558288139 /nfs/dbraw/zinc/28/81/39/558288139.db2.gz FEAHEZUVMDIWPN-VMPITWQZSA-N 0 3 403.551 5.174 50 0 HKAAHN CSc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1 ZINC000011843681 558288529 /nfs/dbraw/zinc/28/85/29/558288529.db2.gz FOQQTCAYCZAHAV-UHFFFAOYSA-N 0 3 420.582 5.003 50 0 HKAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000011843798 558288502 /nfs/dbraw/zinc/28/85/02/558288502.db2.gz MBUOMMBMPPBSAH-HXUWFJFHSA-N 0 3 411.549 5.272 50 0 HKAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000011843799 558288485 /nfs/dbraw/zinc/28/84/85/558288485.db2.gz MBUOMMBMPPBSAH-FQEVSTJZSA-N 0 3 411.549 5.272 50 0 HKAAHN COc1ccc2[nH]c(CN3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)c(C)c2c1 ZINC000011878237 558292376 /nfs/dbraw/zinc/29/23/76/558292376.db2.gz HKIUVCPWLWQNIX-SFHVURJKSA-N 0 3 423.532 5.255 50 0 HKAAHN COc1ccc2[nH]c(CN3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c(C)c2c1 ZINC000011878238 558292477 /nfs/dbraw/zinc/29/24/77/558292477.db2.gz HKIUVCPWLWQNIX-GOSISDBHSA-N 0 3 423.532 5.255 50 0 HKAAHN O=C(c1cccc2ccccc21)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011878765 558293263 /nfs/dbraw/zinc/29/32/63/558293263.db2.gz DGMZCTVMWCETAL-JOCHJYFZSA-N 0 3 423.516 5.517 50 0 HKAAHN O=C(c1cccc2ccccc21)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011878766 558293391 /nfs/dbraw/zinc/29/33/91/558293391.db2.gz DGMZCTVMWCETAL-QFIPXVFZSA-N 0 3 423.516 5.517 50 0 HKAAHN O=C(CCC1CCN(Cc2cccc(F)c2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000011879642 558294292 /nfs/dbraw/zinc/29/42/92/558294292.db2.gz NGPIVWDRFSUAMP-UHFFFAOYSA-N 0 3 422.466 5.153 50 0 HKAAHN COc1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)ccc1F ZINC000011879959 558294450 /nfs/dbraw/zinc/29/44/50/558294450.db2.gz WTMGIZAWVTUPOM-UHFFFAOYSA-N 0 3 404.913 5.119 50 0 HKAAHN COc1ccc(CN2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)cc1O ZINC000011911983 558297083 /nfs/dbraw/zinc/29/70/83/558297083.db2.gz XEOKTDNDIKXNPQ-UHFFFAOYSA-N 0 3 413.521 5.324 50 0 HKAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 ZINC000011933864 558298250 /nfs/dbraw/zinc/29/82/50/558298250.db2.gz MZFXUUWCZNITKB-OAQYLSRUSA-N 0 3 418.512 5.352 50 0 HKAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccccc3F)C2)cc1 ZINC000011933865 558298269 /nfs/dbraw/zinc/29/82/69/558298269.db2.gz MZFXUUWCZNITKB-NRFANRHFSA-N 0 3 418.512 5.352 50 0 HKAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cccc(-c2ccco2)c1 ZINC000011934310 558298557 /nfs/dbraw/zinc/29/85/57/558298557.db2.gz WKQISXUETIQMLF-UHFFFAOYSA-N 0 3 420.528 5.112 50 0 HKAAHN O=C(CC[C@@H]1CCCN(Cc2c[nH]nc2C2CCCCC2)C1)Nc1ccccc1F ZINC000011935399 558299512 /nfs/dbraw/zinc/29/95/12/558299512.db2.gz JFIDVALOTPEFJZ-SFHVURJKSA-N 0 3 412.553 5.227 50 0 HKAAHN O=C(CC[C@H]1CCCN(Cc2c[nH]nc2C2CCCCC2)C1)Nc1ccccc1F ZINC000011935400 558299516 /nfs/dbraw/zinc/29/95/16/558299516.db2.gz JFIDVALOTPEFJZ-GOSISDBHSA-N 0 3 412.553 5.227 50 0 HKAAHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)n1 ZINC000011937119 558301046 /nfs/dbraw/zinc/30/10/46/558301046.db2.gz UBQYQIZWDQKQGD-UHFFFAOYSA-N 0 3 424.548 5.389 50 0 HKAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000011937723 558301382 /nfs/dbraw/zinc/30/13/82/558301382.db2.gz JWJXQLGROHUBJY-LJQANCHMSA-N 0 3 421.928 5.378 50 0 HKAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000011937724 558301294 /nfs/dbraw/zinc/30/12/94/558301294.db2.gz JWJXQLGROHUBJY-IBGZPJMESA-N 0 3 421.928 5.378 50 0 HKAAHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)n1 ZINC000011938408 558301870 /nfs/dbraw/zinc/30/18/70/558301870.db2.gz ARJLQVKUIGZUSD-UHFFFAOYSA-N 0 3 403.501 5.047 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000011946273 558302062 /nfs/dbraw/zinc/30/20/62/558302062.db2.gz SEAHKCRBQGQRFS-UHFFFAOYSA-N 0 3 414.549 5.521 50 0 HKAAHN O=C(c1ccccc1OC1CCN(Cc2cc3ccccc3o2)CC1)N1CCCCC1 ZINC000011953281 558303293 /nfs/dbraw/zinc/30/32/93/558303293.db2.gz PFACZDVMJYNBIX-UHFFFAOYSA-N 0 3 418.537 5.102 50 0 HKAAHN COc1ccc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1C ZINC000011953545 558303344 /nfs/dbraw/zinc/30/33/44/558303344.db2.gz SRRCXGKWCOBGGH-UHFFFAOYSA-N 0 3 421.503 5.148 50 0 HKAAHN COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1ccc(CC(C)C)cc1)CC2 ZINC000011964660 558304006 /nfs/dbraw/zinc/30/40/06/558304006.db2.gz BXVTYCBIXHTDEN-QFIPXVFZSA-N 0 3 406.570 5.135 50 0 HKAAHN COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1ccc(CC(C)C)cc1)CC2 ZINC000011964662 558304044 /nfs/dbraw/zinc/30/40/44/558304044.db2.gz BXVTYCBIXHTDEN-JOCHJYFZSA-N 0 3 406.570 5.135 50 0 HKAAHN CCc1ccc(CN2CCC3(C[C@@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)o1 ZINC000011974767 559269723 /nfs/dbraw/zinc/26/97/23/559269723.db2.gz MXIYQQCPAQAKSL-LJQANCHMSA-N 0 3 409.555 5.001 50 0 HKAAHN CCc1ccc(CN2CCC3(C[C@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)o1 ZINC000011974772 559269730 /nfs/dbraw/zinc/26/97/30/559269730.db2.gz MXIYQQCPAQAKSL-IBGZPJMESA-N 0 3 409.555 5.001 50 0 HKAAHN CSc1ccc(NC(=O)[C@@H]2CC23CCN(Cc2cc4ccccc4o2)CC3)cc1 ZINC000011995744 558306596 /nfs/dbraw/zinc/30/65/96/558306596.db2.gz CDJVKTSVBOVXRX-NRFANRHFSA-N 0 3 406.551 5.396 50 0 HKAAHN CSc1ccc(NC(=O)[C@H]2CC23CCN(Cc2cc4ccccc4o2)CC3)cc1 ZINC000011995745 558306676 /nfs/dbraw/zinc/30/66/76/558306676.db2.gz CDJVKTSVBOVXRX-OAQYLSRUSA-N 0 3 406.551 5.396 50 0 HKAAHN COc1ccc(-n2ncc([C@@H](C)NCc3ccc(OC)c4ccccc34)c2C)cc1 ZINC000011998251 558307464 /nfs/dbraw/zinc/30/74/64/558307464.db2.gz QTWGNFKCFSXUCD-QGZVFWFLSA-N 0 3 401.510 5.202 50 0 HKAAHN COc1ccc(-n2ncc([C@H](C)NCc3ccc(OC)c4ccccc34)c2C)cc1 ZINC000011998253 558307460 /nfs/dbraw/zinc/30/74/60/558307460.db2.gz QTWGNFKCFSXUCD-KRWDZBQOSA-N 0 3 401.510 5.202 50 0 HKAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000012001113 558308429 /nfs/dbraw/zinc/30/84/29/558308429.db2.gz DAYFCHOHLHLMRW-INIZCTEOSA-N 0 3 408.439 5.475 50 0 HKAAHN O=C(CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000012001118 558308393 /nfs/dbraw/zinc/30/83/93/558308393.db2.gz DAYFCHOHLHLMRW-MRXNPFEDSA-N 0 3 408.439 5.475 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2cccc(-n3cccn3)c2)C1 ZINC000012024353 558310036 /nfs/dbraw/zinc/31/00/36/558310036.db2.gz GIVPZGWYSFVQSI-HSZRJFAPSA-N 0 3 415.516 5.000 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NCc2cccc(-n3cccn3)c2)C1 ZINC000012024359 558310049 /nfs/dbraw/zinc/31/00/49/558310049.db2.gz GIVPZGWYSFVQSI-QHCPKHFHSA-N 0 3 415.516 5.000 50 0 HKAAHN COc1ccc2cc(CNCc3cc(OC)cc(OC)c3)c(-c3ccsc3)nc2c1 ZINC000012028386 558310697 /nfs/dbraw/zinc/31/06/97/558310697.db2.gz NPTIUFHVRPTQSE-UHFFFAOYSA-N 0 3 420.534 5.279 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000012031669 558311443 /nfs/dbraw/zinc/31/14/43/558311443.db2.gz SDUQZNYFIVZBNB-UHFFFAOYSA-N 0 3 414.549 5.521 50 0 HKAAHN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1ccc3ccccc3c1)CC2 ZINC000012042319 558313116 /nfs/dbraw/zinc/31/31/16/558313116.db2.gz UEOWGHJRSRMEDM-VWLOTQADSA-N 0 3 402.582 5.449 50 0 HKAAHN O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(Cc1ccc3ccccc3c1)CC2 ZINC000012042322 558313091 /nfs/dbraw/zinc/31/30/91/558313091.db2.gz UEOWGHJRSRMEDM-RUZDIDTESA-N 0 3 402.582 5.449 50 0 HKAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1)N1CCCC1 ZINC000012049590 558313487 /nfs/dbraw/zinc/31/34/87/558313487.db2.gz OFRGNRVUFGMPSQ-SFHVURJKSA-N 0 3 400.950 5.215 50 0 HKAAHN O=C(CC[C@H]1CCCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1)N1CCCC1 ZINC000012049597 558313529 /nfs/dbraw/zinc/31/35/29/558313529.db2.gz OFRGNRVUFGMPSQ-GOSISDBHSA-N 0 3 400.950 5.215 50 0 HKAAHN CSc1cccc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000012050751 558314126 /nfs/dbraw/zinc/31/41/26/558314126.db2.gz PXUHUVDHXUFSKD-UHFFFAOYSA-N 0 3 402.991 5.693 50 0 HKAAHN COCC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012073035 558318279 /nfs/dbraw/zinc/31/82/79/558318279.db2.gz DVVMTXGLVWUGGB-UHFFFAOYSA-N 0 3 415.537 5.203 50 0 HKAAHN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000012074907 558319184 /nfs/dbraw/zinc/31/91/84/558319184.db2.gz LFLXIFDCGKCJMS-NRFANRHFSA-N 0 3 411.542 5.051 50 0 HKAAHN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000012074909 558319445 /nfs/dbraw/zinc/31/94/45/558319445.db2.gz LFLXIFDCGKCJMS-OAQYLSRUSA-N 0 3 411.542 5.051 50 0 HKAAHN O=C(NC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)c1cccs1 ZINC000012076615 558320160 /nfs/dbraw/zinc/32/01/60/558320160.db2.gz PSBWRIWYDCBQRV-AWEZNQCLSA-N 0 3 404.988 5.258 50 0 HKAAHN O=C(NC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)c1cccs1 ZINC000012076617 558320110 /nfs/dbraw/zinc/32/01/10/558320110.db2.gz PSBWRIWYDCBQRV-CQSZACIVSA-N 0 3 404.988 5.258 50 0 HKAAHN COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCCN(CC(C)C)C2 ZINC000012098351 560889035 /nfs/dbraw/zinc/88/90/35/560889035.db2.gz SJZUKWBDIXQDGA-UHFFFAOYSA-N 0 3 414.855 5.280 50 0 HKAAHN O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(Cc1ccc(-c3ccco3)cc1)CC2 ZINC000012098997 558325532 /nfs/dbraw/zinc/32/55/32/558325532.db2.gz DZZTUKYFNHSZHT-QFIPXVFZSA-N 0 3 404.485 5.327 50 0 HKAAHN O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(Cc1ccc(-c3ccco3)cc1)CC2 ZINC000012098998 558325546 /nfs/dbraw/zinc/32/55/46/558325546.db2.gz DZZTUKYFNHSZHT-JOCHJYFZSA-N 0 3 404.485 5.327 50 0 HKAAHN CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(C)cc2s1 ZINC000012140838 560890336 /nfs/dbraw/zinc/89/03/36/560890336.db2.gz FZNXUYRPMOFBSH-UHFFFAOYSA-N 0 3 424.595 5.203 50 0 HKAAHN c1cc(-c2nc3cc4c(cc3cc2CN[C@@H]2CCCc3ccccc32)OCO4)cs1 ZINC000012152558 560890405 /nfs/dbraw/zinc/89/04/05/560890405.db2.gz ZSWOMVGKVDRKQD-OAQYLSRUSA-N 0 3 414.530 5.859 50 0 HKAAHN c1cc(-c2nc3cc4c(cc3cc2CN[C@H]2CCCc3ccccc32)OCO4)cs1 ZINC000012152559 560890420 /nfs/dbraw/zinc/89/04/20/560890420.db2.gz ZSWOMVGKVDRKQD-NRFANRHFSA-N 0 3 414.530 5.859 50 0 HKAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012193061 558348392 /nfs/dbraw/zinc/34/83/92/558348392.db2.gz QIJFNRYFRMLUDJ-UHFFFAOYSA-N 0 3 417.532 5.001 50 0 HKAAHN O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC000012196982 558349985 /nfs/dbraw/zinc/34/99/85/558349985.db2.gz DBAIOLJUIWOJHS-XMMPIXPASA-N 0 3 420.572 5.056 50 0 HKAAHN O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC000012196988 558349994 /nfs/dbraw/zinc/34/99/94/558349994.db2.gz DBAIOLJUIWOJHS-DEOSSOPVSA-N 0 3 420.572 5.056 50 0 HKAAHN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2cccs2)CC1 ZINC000012198071 558350601 /nfs/dbraw/zinc/35/06/01/558350601.db2.gz RUEJTNMAIKNFPD-UHFFFAOYSA-N 0 3 410.514 5.530 50 0 HKAAHN Cc1oc(-c2cccc3ccccc32)nc1CN1CCCC[C@@H]1CCn1cccn1 ZINC000012209988 558353741 /nfs/dbraw/zinc/35/37/41/558353741.db2.gz CBPNDLQNMQDRAC-OAQYLSRUSA-N 0 3 400.526 5.445 50 0 HKAAHN Cc1oc(-c2cccc3ccccc32)nc1CN1CCCC[C@H]1CCn1cccn1 ZINC000012209995 558353813 /nfs/dbraw/zinc/35/38/13/558353813.db2.gz CBPNDLQNMQDRAC-NRFANRHFSA-N 0 3 400.526 5.445 50 0 HKAAHN Cc1ccc2c(c1)cc(CNCc1cccs1)c(=O)n2Cc1ccccc1Cl ZINC000012279250 558364841 /nfs/dbraw/zinc/36/48/41/558364841.db2.gz SDDAGPFUNAHDJA-UHFFFAOYSA-N 0 3 408.954 5.363 50 0 HKAAHN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2cccc(O)c2)CC1 ZINC000012299540 558369542 /nfs/dbraw/zinc/36/95/42/558369542.db2.gz IHPKQVOMDDPVHF-UHFFFAOYSA-N 0 3 420.484 5.174 50 0 HKAAHN O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccc(O)c2)CC1 ZINC000012303608 558373022 /nfs/dbraw/zinc/37/30/22/558373022.db2.gz UUSRMAHYNDNYBW-UHFFFAOYSA-N 0 3 404.485 5.049 50 0 HKAAHN Cc1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)n1 ZINC000012306087 558374947 /nfs/dbraw/zinc/37/49/47/558374947.db2.gz UCMNBRHOHXNBRN-JOCHJYFZSA-N 0 3 424.548 5.389 50 0 HKAAHN Cc1cccc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)n1 ZINC000012306089 558374929 /nfs/dbraw/zinc/37/49/29/558374929.db2.gz UCMNBRHOHXNBRN-QFIPXVFZSA-N 0 3 424.548 5.389 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2c[nH]nc2-c2ccccc2)C1 ZINC000012306244 558375053 /nfs/dbraw/zinc/37/50/53/558375053.db2.gz UMBWRQCXTWLTDN-JOCHJYFZSA-N 0 3 415.516 5.205 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NCc2c[nH]nc2-c2ccccc2)C1 ZINC000012306246 558374956 /nfs/dbraw/zinc/37/49/56/558374956.db2.gz UMBWRQCXTWLTDN-QFIPXVFZSA-N 0 3 415.516 5.205 50 0 HKAAHN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1cccn1-c1ccccn1 ZINC000012307487 558376208 /nfs/dbraw/zinc/37/62/08/558376208.db2.gz RPCITCVJSRHDBW-QFIPXVFZSA-N 0 3 411.553 5.170 50 0 HKAAHN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1cccn1-c1ccccn1 ZINC000012307488 558376174 /nfs/dbraw/zinc/37/61/74/558376174.db2.gz RPCITCVJSRHDBW-JOCHJYFZSA-N 0 3 411.553 5.170 50 0 HKAAHN COc1cccc(NC(=O)CCC2CCN(Cc3ccc4cccc(F)c4n3)CC2)c1 ZINC000012308191 558376377 /nfs/dbraw/zinc/37/63/77/558376377.db2.gz MAFMQEPVSFJKLD-UHFFFAOYSA-N 0 3 421.516 5.013 50 0 HKAAHN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000012308370 558376728 /nfs/dbraw/zinc/37/67/28/558376728.db2.gz YTLASFUVSPSVAI-VMPITWQZSA-N 0 3 413.521 5.238 50 0 HKAAHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c1 ZINC000012308467 558376723 /nfs/dbraw/zinc/37/67/23/558376723.db2.gz BKPYDXZRLYIOSP-UHFFFAOYSA-N 0 3 401.510 5.033 50 0 HKAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000012314131 558377533 /nfs/dbraw/zinc/37/75/33/558377533.db2.gz BFINPUGSFIYCAF-FAZYEBOESA-N 0 3 403.551 5.174 50 0 HKAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000012314132 558377869 /nfs/dbraw/zinc/37/78/69/558377869.db2.gz BFINPUGSFIYCAF-VPVJOJIASA-N 0 3 403.551 5.174 50 0 HKAAHN CSc1cccc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012314915 558378308 /nfs/dbraw/zinc/37/83/08/558378308.db2.gz XASOOGGPNWVOCZ-UHFFFAOYSA-N 0 3 409.517 5.245 50 0 HKAAHN Cc1cccc(NC(=O)CCC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000012317073 558380548 /nfs/dbraw/zinc/38/05/48/558380548.db2.gz VLMAAQTXBQYKTQ-UHFFFAOYSA-N 0 3 420.532 5.155 50 0 HKAAHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cc1 ZINC000012320167 558382003 /nfs/dbraw/zinc/38/20/03/558382003.db2.gz BINDTEXZTDVHQV-UHFFFAOYSA-N 0 3 401.510 5.033 50 0 HKAAHN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2ccncc2)CC1 ZINC000012320694 558382565 /nfs/dbraw/zinc/38/25/65/558382565.db2.gz JTPDVJJWTODFTH-UHFFFAOYSA-N 0 3 405.929 5.253 50 0 HKAAHN CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345250 568493489 /nfs/dbraw/zinc/49/34/89/568493489.db2.gz GOZFHNFFVPIQEN-UHFFFAOYSA-N 0 3 423.991 5.008 50 0 HKAAHN O=C(CNC1CCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000012360068 132359035 /nfs/dbraw/zinc/35/90/35/132359035.db2.gz NHGLMLKOPKUAMT-UHFFFAOYSA-N 0 3 406.473 5.757 50 0 biogenic HKAAHN CC(C)(C)c1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc(C(C)(C)C)c1O ZINC000012381546 558499277 /nfs/dbraw/zinc/49/92/77/558499277.db2.gz UJFGBDZKBTZXFZ-UHFFFAOYSA-N 0 3 403.610 6.548 50 0 HKAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)c(C)c1 ZINC000012387601 558396403 /nfs/dbraw/zinc/39/64/03/558396403.db2.gz FPSRKKLGYXAUDF-FQEVSTJZSA-N 0 3 419.569 5.424 50 0 HKAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)c(C)c1 ZINC000012387602 558396475 /nfs/dbraw/zinc/39/64/75/558396475.db2.gz FPSRKKLGYXAUDF-HXUWFJFHSA-N 0 3 419.569 5.424 50 0 HKAAHN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)c2)c1 ZINC000012387681 558396536 /nfs/dbraw/zinc/39/65/36/558396536.db2.gz MCJPFHXIJXJRMQ-UHFFFAOYSA-N 0 3 418.512 5.352 50 0 HKAAHN Clc1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)c(Cl)c1 ZINC000012428852 558403944 /nfs/dbraw/zinc/40/39/44/558403944.db2.gz NIDBDVJQTVQFDB-UHFFFAOYSA-N 0 3 416.304 5.591 50 0 HKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2sccc2C)CC1 ZINC000012431135 558405751 /nfs/dbraw/zinc/40/57/51/558405751.db2.gz NFXXLECWWKQTBU-UHFFFAOYSA-N 0 3 414.615 5.076 50 0 HKAAHN COc1ccc2cc(-c3n[nH]cc3CN(C)Cc3ccc(-n4cccn4)cc3)ccc2c1 ZINC000012434338 558408286 /nfs/dbraw/zinc/40/82/86/558408286.db2.gz ZCFGUUHQEMZVOW-UHFFFAOYSA-N 0 3 423.520 5.056 50 0 HKAAHN O=C(CC[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F ZINC000012438841 558410342 /nfs/dbraw/zinc/41/03/42/558410342.db2.gz TYZPNLREMGWWBJ-SFHVURJKSA-N 0 3 423.557 5.580 50 0 HKAAHN O=C(CC[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F ZINC000012438842 558410333 /nfs/dbraw/zinc/41/03/33/558410333.db2.gz TYZPNLREMGWWBJ-GOSISDBHSA-N 0 3 423.557 5.580 50 0 HKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccc(C)s2)CC1 ZINC000012439061 558410570 /nfs/dbraw/zinc/41/05/70/558410570.db2.gz BJWBQDBPQXDDEF-UHFFFAOYSA-N 0 3 414.615 5.076 50 0 HKAAHN Cc1c2cccc(C)c2[nH]c1CN1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012439390 558410862 /nfs/dbraw/zinc/41/08/62/558410862.db2.gz DMWUPEYBOHIFEE-IBGZPJMESA-N 0 3 407.533 5.555 50 0 HKAAHN Cc1c2cccc(C)c2[nH]c1CN1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012439391 558410763 /nfs/dbraw/zinc/41/07/63/558410763.db2.gz DMWUPEYBOHIFEE-LJQANCHMSA-N 0 3 407.533 5.555 50 0 HKAAHN Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012444615 558413106 /nfs/dbraw/zinc/41/31/06/558413106.db2.gz VGBRVGAVQKSQOE-FQEVSTJZSA-N 0 3 421.907 5.222 50 0 HKAAHN Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012444618 558413171 /nfs/dbraw/zinc/41/31/71/558413171.db2.gz VGBRVGAVQKSQOE-HXUWFJFHSA-N 0 3 421.907 5.222 50 0 HKAAHN CC[C@@H](NCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)c1ccc(C)cc1 ZINC000012446855 558414561 /nfs/dbraw/zinc/41/45/61/558414561.db2.gz BDZOBXHJXJFDQH-JOCHJYFZSA-N 0 3 418.585 5.208 50 0 HKAAHN CC[C@H](NCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)c1ccc(C)cc1 ZINC000012446857 522639780 /nfs/dbraw/zinc/63/97/80/522639780.db2.gz BDZOBXHJXJFDQH-QFIPXVFZSA-N 0 3 418.585 5.208 50 0 HKAAHN Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012456276 558417300 /nfs/dbraw/zinc/41/73/00/558417300.db2.gz BWUKTQPOXWAMGH-JOCHJYFZSA-N 0 3 418.610 5.285 50 0 HKAAHN Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012456278 558417333 /nfs/dbraw/zinc/41/73/33/558417333.db2.gz BWUKTQPOXWAMGH-QFIPXVFZSA-N 0 3 418.610 5.285 50 0 HKAAHN Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)c1 ZINC000012460196 558419157 /nfs/dbraw/zinc/41/91/57/558419157.db2.gz MBFNULUCGSJHGU-OAQYLSRUSA-N 0 3 401.510 5.033 50 0 HKAAHN Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)c1 ZINC000012460197 558419176 /nfs/dbraw/zinc/41/91/76/558419176.db2.gz MBFNULUCGSJHGU-NRFANRHFSA-N 0 3 401.510 5.033 50 0 HKAAHN CC(C)c1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000012475897 558422737 /nfs/dbraw/zinc/42/27/37/558422737.db2.gz SSXWSCCKTXVORJ-UHFFFAOYSA-N 0 3 406.570 5.089 50 0 HKAAHN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4ccc(C)s4)CC3)c2)c1 ZINC000012476458 558422941 /nfs/dbraw/zinc/42/29/41/558422941.db2.gz XYIFIYLHPZCVCH-UHFFFAOYSA-N 0 3 420.578 5.583 50 0 HKAAHN Cc1ccccc1-c1ncc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)cn1 ZINC000012477885 558422823 /nfs/dbraw/zinc/42/28/23/558422823.db2.gz WBXYLYDBWDFHMD-UHFFFAOYSA-N 0 3 414.553 5.083 50 0 HKAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(C/C=C/c3ccco3)C2)cc1Cl ZINC000012573986 558430341 /nfs/dbraw/zinc/43/03/41/558430341.db2.gz PSIAJRNSCZFTGH-ZVVFDCPKSA-N 0 3 402.922 5.086 50 0 HKAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(C/C=C/c3ccco3)C2)cc1Cl ZINC000012573994 558430311 /nfs/dbraw/zinc/43/03/11/558430311.db2.gz PSIAJRNSCZFTGH-ZNNBYXKUSA-N 0 3 402.922 5.086 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NCc2cccc3cnccc32)C1 ZINC000012577626 558431507 /nfs/dbraw/zinc/43/15/07/558431507.db2.gz BJMKVCYMSFEPTH-HSZRJFAPSA-N 0 3 400.501 5.363 50 0 HKAAHN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NCc2cccc3cnccc32)C1 ZINC000012577632 558431605 /nfs/dbraw/zinc/43/16/05/558431605.db2.gz BJMKVCYMSFEPTH-QHCPKHFHSA-N 0 3 400.501 5.363 50 0 HKAAHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012578448 132364534 /nfs/dbraw/zinc/36/45/34/132364534.db2.gz LXCBYNFZXANPAE-VQTJNVASSA-N 0 3 401.554 5.508 50 0 HKAAHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012578458 132364504 /nfs/dbraw/zinc/36/45/04/132364504.db2.gz LXCBYNFZXANPAE-PMACEKPBSA-N 0 3 401.554 5.508 50 0 HKAAHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012578464 132364500 /nfs/dbraw/zinc/36/45/00/132364500.db2.gz LXCBYNFZXANPAE-WOJBJXKFSA-N 0 3 401.554 5.508 50 0 HKAAHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc2ccccc21 ZINC000012578470 132364516 /nfs/dbraw/zinc/36/45/16/132364516.db2.gz LXCBYNFZXANPAE-UXHICEINSA-N 0 3 401.554 5.508 50 0 HKAAHN Cc1ccsc1C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012580970 558432309 /nfs/dbraw/zinc/43/23/09/558432309.db2.gz NMKPILOGGVRZRU-UHFFFAOYSA-N 0 3 424.532 5.102 50 0 HKAAHN COc1ccc(-c2nc(CN(C)CC34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC ZINC000012581856 558432538 /nfs/dbraw/zinc/43/25/38/558432538.db2.gz SXCMVVORYXDZLX-UHFFFAOYSA-N 0 3 410.558 5.315 50 0 HKAAHN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cccc3cnccc32)CC1 ZINC000012582636 558433093 /nfs/dbraw/zinc/43/30/93/558433093.db2.gz SQFKLUZIGMYIQQ-UHFFFAOYSA-N 0 3 402.538 5.013 50 0 HKAAHN COc1cccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c1OC ZINC000012586921 558434448 /nfs/dbraw/zinc/43/44/48/558434448.db2.gz WTCVSMJRVAGZLT-UHFFFAOYSA-N 0 3 416.521 5.228 50 0 HKAAHN CSc1cccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012588841 558435070 /nfs/dbraw/zinc/43/50/70/558435070.db2.gz QCFJXJTXKNKTIY-SFHVURJKSA-N 0 3 400.563 5.487 50 0 HKAAHN CSc1cccc(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012588846 558435153 /nfs/dbraw/zinc/43/51/53/558435153.db2.gz QCFJXJTXKNKTIY-GOSISDBHSA-N 0 3 400.563 5.487 50 0 HKAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCc2ccc(C)s2)cc1 ZINC000012592731 558436439 /nfs/dbraw/zinc/43/64/39/558436439.db2.gz PLLOFZVVJMPNNW-UHFFFAOYSA-N 0 3 407.514 5.347 50 0 HKAAHN CC(C)Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000012593838 558436561 /nfs/dbraw/zinc/43/65/61/558436561.db2.gz OWXLTPJSOPFIDL-UHFFFAOYSA-N 0 3 408.590 5.047 50 0 HKAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012596720 558437868 /nfs/dbraw/zinc/43/78/68/558437868.db2.gz VBSZMIAFWDLUPQ-UHFFFAOYSA-N 0 3 417.532 5.001 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(C)o3)CC2)c1 ZINC000012597506 558438383 /nfs/dbraw/zinc/43/83/83/558438383.db2.gz DOPKOMQLFWBENZ-UHFFFAOYSA-N 0 3 404.510 5.114 50 0 HKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)c2cccs2)c(F)c1 ZINC000012597534 558438404 /nfs/dbraw/zinc/43/84/04/558438404.db2.gz ADRMXSCFYITHSJ-INIZCTEOSA-N 0 3 407.514 5.599 50 0 HKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)c2cccs2)c(F)c1 ZINC000012597537 558438534 /nfs/dbraw/zinc/43/85/34/558438534.db2.gz ADRMXSCFYITHSJ-MRXNPFEDSA-N 0 3 407.514 5.599 50 0 HKAAHN COc1ccc([C@@H](CNc2ncnc3sc(-c4ccccc4)cc32)N(C)C)cc1 ZINC000012614201 568871815 /nfs/dbraw/zinc/87/18/15/568871815.db2.gz LYXLTHBZOFPIQS-HXUWFJFHSA-N 0 3 404.539 5.082 50 0 HKAAHN COc1ccc([C@H](CNc2ncnc3sc(-c4ccccc4)cc32)N(C)C)cc1 ZINC000012614205 568871905 /nfs/dbraw/zinc/87/19/05/568871905.db2.gz LYXLTHBZOFPIQS-FQEVSTJZSA-N 0 3 404.539 5.082 50 0 HKAAHN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCN1CCCCC1)n2C ZINC000012652722 558443965 /nfs/dbraw/zinc/44/39/65/558443965.db2.gz ANBFYJBOVFIXHV-UHFFFAOYSA-N 0 3 423.988 5.277 50 0 HKAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000012689283 568908127 /nfs/dbraw/zinc/90/81/27/568908127.db2.gz CCJKHLQVJYFQTG-CQSZACIVSA-N 0 3 409.332 5.609 50 0 HKAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000012689290 568908163 /nfs/dbraw/zinc/90/81/63/568908163.db2.gz CCJKHLQVJYFQTG-AWEZNQCLSA-N 0 3 409.332 5.609 50 0 HKAAHN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2ccc(O)cc2)CC1 ZINC000012701399 558447655 /nfs/dbraw/zinc/44/76/55/558447655.db2.gz OKWWUENATXPHKN-UHFFFAOYSA-N 0 3 420.484 5.174 50 0 HKAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012703922 558448962 /nfs/dbraw/zinc/44/89/62/558448962.db2.gz NTDNOKIFNWOFLP-UHFFFAOYSA-N 0 3 416.569 5.372 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000012705326 558449441 /nfs/dbraw/zinc/44/94/41/558449441.db2.gz QXQQTBZRFQEYBT-UHFFFAOYSA-N 0 3 418.512 5.352 50 0 HKAAHN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(CCc2ccccc2)CC1 ZINC000012707295 558450239 /nfs/dbraw/zinc/45/02/39/558450239.db2.gz UYDLTQHCZVHIRB-UHFFFAOYSA-N 0 3 419.487 5.136 50 0 HKAAHN COC[C@@H]1CCCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012709566 569383652 /nfs/dbraw/zinc/38/36/52/569383652.db2.gz XTLLGDTWEXVZSJ-GOSISDBHSA-N 0 3 413.562 5.215 50 0 HKAAHN COC[C@H]1CCCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000012709573 569383719 /nfs/dbraw/zinc/38/37/19/569383719.db2.gz XTLLGDTWEXVZSJ-SFHVURJKSA-N 0 3 413.562 5.215 50 0 HKAAHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012709615 558451671 /nfs/dbraw/zinc/45/16/71/558451671.db2.gz IDKIEVZLPDVTEG-NRFANRHFSA-N 0 3 404.529 5.006 50 0 HKAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012709620 558451572 /nfs/dbraw/zinc/45/15/72/558451572.db2.gz IDKIEVZLPDVTEG-OAQYLSRUSA-N 0 3 404.529 5.006 50 0 HKAAHN CCc1ccc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)o1 ZINC000012710461 558452206 /nfs/dbraw/zinc/45/22/06/558452206.db2.gz QJANELVGSQBTES-UHFFFAOYSA-N 0 3 418.537 5.368 50 0 HKAAHN CC(C)[C@@H](O)C1CCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000012712292 558453365 /nfs/dbraw/zinc/45/33/65/558453365.db2.gz PFYNJCQGDJMEFO-AREMUKBSSA-N 0 3 419.569 5.108 50 0 HKAAHN CC(C)[C@H](O)C1CCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000012712296 558453290 /nfs/dbraw/zinc/45/32/90/558453290.db2.gz PFYNJCQGDJMEFO-SANMLTNESA-N 0 3 419.569 5.108 50 0 HKAAHN O=C(CCC1CCN(Cc2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1Cl ZINC000012714650 568917874 /nfs/dbraw/zinc/91/78/74/568917874.db2.gz HFGWGNRMMYXCIJ-UHFFFAOYSA-N 0 3 422.960 5.157 50 0 HKAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000012714662 558454660 /nfs/dbraw/zinc/45/46/60/558454660.db2.gz WQSFMQJEVSVKDF-OAQYLSRUSA-N 0 3 418.512 5.352 50 0 HKAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000012714668 558454585 /nfs/dbraw/zinc/45/45/85/558454585.db2.gz WQSFMQJEVSVKDF-NRFANRHFSA-N 0 3 418.512 5.352 50 0 HKAAHN Cc1ccc([C@@H](C)CCN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)o1 ZINC000012744717 558457907 /nfs/dbraw/zinc/45/79/07/558457907.db2.gz FGPNMRDKKFPTRH-FQEVSTJZSA-N 0 3 424.585 5.251 50 0 HKAAHN Cc1ccc([C@H](C)CCN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)o1 ZINC000012744720 558457911 /nfs/dbraw/zinc/45/79/11/558457911.db2.gz FGPNMRDKKFPTRH-HXUWFJFHSA-N 0 3 424.585 5.251 50 0 HKAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1ccc(-c2ccco2)cc1 ZINC000012744899 558457922 /nfs/dbraw/zinc/45/79/22/558457922.db2.gz AWFWGPKWOALFPO-UHFFFAOYSA-N 0 3 420.528 5.112 50 0 HKAAHN O=C(CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1)Nc1ccccc1 ZINC000012745088 558457876 /nfs/dbraw/zinc/45/78/76/558457876.db2.gz WGKRMRGMZPHFOG-UHFFFAOYSA-N 0 3 405.567 5.441 50 0 HKAAHN COc1ccc(/C=C/CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000012745895 558458161 /nfs/dbraw/zinc/45/81/61/558458161.db2.gz RETKJTDBCYXSAR-SNAWJCMRSA-N 0 3 412.961 5.493 50 0 HKAAHN CC(C)c1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000012751354 558459100 /nfs/dbraw/zinc/45/91/00/558459100.db2.gz PHQHLMATISFLFJ-UHFFFAOYSA-N 0 3 406.570 5.089 50 0 HKAAHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000012756183 568943039 /nfs/dbraw/zinc/94/30/39/568943039.db2.gz ZZAHZGJYRHTIDC-UHFFFAOYSA-N 0 3 414.505 5.302 50 0 HKAAHN CC1CCN([C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)c2cccs2)CC1 ZINC000012780599 568957390 /nfs/dbraw/zinc/95/73/90/568957390.db2.gz GUUNQXNTKXKZAS-QFIPXVFZSA-N 0 3 409.599 5.142 50 0 HKAAHN CC1CCN([C@H](CNC(=O)CCCc2c[nH]c3ccccc23)c2cccs2)CC1 ZINC000012780604 568957435 /nfs/dbraw/zinc/95/74/35/568957435.db2.gz GUUNQXNTKXKZAS-JOCHJYFZSA-N 0 3 409.599 5.142 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc(C)c(C)o3)CC2)c1 ZINC000012835336 569010026 /nfs/dbraw/zinc/01/00/26/569010026.db2.gz VUDAHCDFMIKFCA-UHFFFAOYSA-N 0 3 418.537 5.423 50 0 HKAAHN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000012836861 558478351 /nfs/dbraw/zinc/47/83/51/558478351.db2.gz RHUJENKVMRHBLS-UHFFFAOYSA-N 0 3 411.505 5.346 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000012857621 569011293 /nfs/dbraw/zinc/01/12/93/569011293.db2.gz DDMRGHPIRQHAMQ-QHCPKHFHSA-N 0 3 400.522 5.328 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000012857626 569011315 /nfs/dbraw/zinc/01/13/15/569011315.db2.gz DDMRGHPIRQHAMQ-HSZRJFAPSA-N 0 3 400.522 5.328 50 0 HKAAHN CC1=C2C[C@@H]3[C@H](CN4CC=C(c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012865231 569404333 /nfs/dbraw/zinc/40/43/33/569404333.db2.gz IZOZKBXFTWQRFR-MWXBQQNOSA-N 0 3 409.545 5.373 50 0 biogenic HKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000012881974 569404472 /nfs/dbraw/zinc/40/44/72/569404472.db2.gz XNUXTLWJUVVMKR-MWXBQQNOSA-N 0 3 423.984 5.663 50 0 biogenic HKAAHN Clc1ncc(COc2ccccc2CN2CCC(Cc3ccccc3)CC2)s1 ZINC000012959847 569405403 /nfs/dbraw/zinc/40/54/03/569405403.db2.gz JYZMCHCZCFXCBH-UHFFFAOYSA-N 0 3 412.986 5.830 50 0 HKAAHN Cc1csc2nc(CN[C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)cc(=O)n12 ZINC000013011049 558503199 /nfs/dbraw/zinc/50/31/99/558503199.db2.gz XBMFEHXBYJSSBZ-HSZRJFAPSA-N 0 3 409.599 5.599 50 0 HKAAHN Cc1csc2nc(CN[C@H](c3ccc(C4CCCCC4)cc3)C(C)C)cc(=O)n12 ZINC000013011051 558503156 /nfs/dbraw/zinc/50/31/56/558503156.db2.gz XBMFEHXBYJSSBZ-QHCPKHFHSA-N 0 3 409.599 5.599 50 0 HKAAHN O=c1cc(CN[C@@H](CCCc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000013012082 569050498 /nfs/dbraw/zinc/05/04/98/569050498.db2.gz GOFDLYZSKORCOU-QHCPKHFHSA-N 0 3 417.940 5.202 50 0 HKAAHN O=c1cc(CN[C@H](CCCc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000013012083 569050495 /nfs/dbraw/zinc/05/04/95/569050495.db2.gz GOFDLYZSKORCOU-HSZRJFAPSA-N 0 3 417.940 5.202 50 0 HKAAHN COc1cccc([C@@H](CNc2ncnc3sc4c(c32)CCCCC4)N2CCCC2)c1 ZINC000013038933 558505911 /nfs/dbraw/zinc/50/59/11/558505911.db2.gz HMBWLVXVTYOEEX-HXUWFJFHSA-N 0 3 422.598 5.218 50 0 HKAAHN COc1cccc([C@H](CNc2ncnc3sc4c(c32)CCCCC4)N2CCCC2)c1 ZINC000013038934 558505916 /nfs/dbraw/zinc/50/59/16/558505916.db2.gz HMBWLVXVTYOEEX-FQEVSTJZSA-N 0 3 422.598 5.218 50 0 HKAAHN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc2ccccc21 ZINC000013069700 558511146 /nfs/dbraw/zinc/51/11/46/558511146.db2.gz PRIIBONCNPUCDX-LJQANCHMSA-N 0 3 423.516 5.381 50 0 HKAAHN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc2ccccc21 ZINC000013069702 558511154 /nfs/dbraw/zinc/51/11/54/558511154.db2.gz PRIIBONCNPUCDX-IBGZPJMESA-N 0 3 423.516 5.381 50 0 HKAAHN C[C@@H]1CCCC[C@@H]1N[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000013097384 558513673 /nfs/dbraw/zinc/51/36/73/558513673.db2.gz KRKDELWOURNERO-VOBQZIQPSA-N 0 3 424.894 6.207 50 0 HKAAHN C[C@@H]1CCCC[C@H]1N[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000013097386 558513647 /nfs/dbraw/zinc/51/36/47/558513647.db2.gz KRKDELWOURNERO-JSNMRZPZSA-N 0 3 424.894 6.207 50 0 HKAAHN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013108074 558514695 /nfs/dbraw/zinc/51/46/95/558514695.db2.gz ITNTXIROJIKNAX-UHFFFAOYSA-N 0 3 421.338 5.260 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccc(Br)cc1Cl ZINC000013153207 558524104 /nfs/dbraw/zinc/52/41/04/558524104.db2.gz BVNTYTGKKBBARC-UHFFFAOYSA-N 0 3 422.754 5.732 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320345 560804809 /nfs/dbraw/zinc/80/48/09/560804809.db2.gz SKIYFDOSJHNNGZ-UHFFFAOYSA-N 0 3 411.855 5.989 50 0 HKAAHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000013320486 569254878 /nfs/dbraw/zinc/25/48/78/569254878.db2.gz IHAODIUGDXUYBS-UHFFFAOYSA-N 0 3 411.855 5.145 50 0 HKAAHN Cc1oc(-c2ccccc2)nc1CCN1CCC2(CC1)OC(=O)Nc1ccc(C)cc12 ZINC000013527116 558536824 /nfs/dbraw/zinc/53/68/24/558536824.db2.gz ODNICNWASXKNNQ-UHFFFAOYSA-N 0 3 417.509 5.054 50 0 in-vivo HKAAHN COCC1CCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000013593387 558546470 /nfs/dbraw/zinc/54/64/70/558546470.db2.gz AVXGHKWEEAVFKR-UHFFFAOYSA-N 0 3 413.562 5.215 50 0 HKAAHN COC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013593391 558546355 /nfs/dbraw/zinc/54/63/55/558546355.db2.gz LRMNRVWEHOCALO-OAQYLSRUSA-N 0 3 415.537 5.203 50 0 HKAAHN COC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013593394 558546424 /nfs/dbraw/zinc/54/64/24/558546424.db2.gz LRMNRVWEHOCALO-NRFANRHFSA-N 0 3 415.537 5.203 50 0 HKAAHN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000013594346 558546602 /nfs/dbraw/zinc/54/66/02/558546602.db2.gz ZKLYGKBLLBOTEC-UHFFFAOYSA-N 0 3 403.444 5.269 50 0 HKAAHN O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013614656 558549440 /nfs/dbraw/zinc/54/94/40/558549440.db2.gz MFESPQYOEIZYDF-UHFFFAOYSA-N 0 3 421.338 5.260 50 0 HKAAHN Cc1c2cc(Cl)ccc2[nH]c1CN1CCC(CO)(CCOc2ccccc2)CC1 ZINC000013636739 558554732 /nfs/dbraw/zinc/55/47/32/558554732.db2.gz QFFCLOOUBDASLM-UHFFFAOYSA-N 0 3 412.961 5.173 50 0 HKAAHN COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H]1C ZINC000013686069 558569723 /nfs/dbraw/zinc/56/97/23/558569723.db2.gz VXHVUKKYMOSWJM-AUTMPROSSA-N 0 3 401.550 5.612 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl ZINC000013686878 558570160 /nfs/dbraw/zinc/57/01/60/558570160.db2.gz SECHNLXDFGYFOW-HNAYVOBHSA-N 0 3 406.382 5.307 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc2c(Br)cccc12 ZINC000013847619 558597856 /nfs/dbraw/zinc/59/78/56/558597856.db2.gz SCMJWYHYYUZJOB-UHFFFAOYSA-N 0 3 423.354 5.841 50 0 HKAAHN O=C1C2=C(CCCC2)[C@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000013898340 558600758 /nfs/dbraw/zinc/60/07/58/558600758.db2.gz ACYBWKOVTBJQAQ-AREMUKBSSA-N 0 3 408.630 6.488 50 0 HKAAHN O=C1C2=C(CCCC2)[C@@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 ZINC000013898343 558600778 /nfs/dbraw/zinc/60/07/78/558600778.db2.gz ACYBWKOVTBJQAQ-SANMLTNESA-N 0 3 408.630 6.488 50 0 HKAAHN c1csc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)N2CCCC2)c1 ZINC000014123226 558622718 /nfs/dbraw/zinc/62/27/18/558622718.db2.gz LWAYAMNQVUGDOM-FQEVSTJZSA-N 0 3 401.539 5.002 50 0 HKAAHN c1csc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)N2CCCC2)c1 ZINC000014123229 558622688 /nfs/dbraw/zinc/62/26/88/558622688.db2.gz LWAYAMNQVUGDOM-HXUWFJFHSA-N 0 3 401.539 5.002 50 0 HKAAHN CN(C)Cc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 ZINC000014159996 558626145 /nfs/dbraw/zinc/62/61/45/558626145.db2.gz ZNKXRSAXKRCBPT-UHFFFAOYSA-N 0 3 403.507 5.403 50 0 HKAAHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014160056 559154272 /nfs/dbraw/zinc/15/42/72/559154272.db2.gz BJXJWFCVTOYHJQ-DBXWQHBBSA-N 0 3 409.599 5.131 50 0 HKAAHN CC[C@@H]1CCCCN1C(=O)[C@H](C)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000014160063 559154244 /nfs/dbraw/zinc/15/42/44/559154244.db2.gz BJXJWFCVTOYHJQ-WAOWUJCRSA-N 0 3 409.599 5.131 50 0 HKAAHN C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 ZINC000014183684 558629402 /nfs/dbraw/zinc/62/94/02/558629402.db2.gz QVMKACNLTBORMR-NPPFBWRTSA-N 0 3 417.578 5.217 50 0 HKAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 ZINC000014183686 558629405 /nfs/dbraw/zinc/62/94/05/558629405.db2.gz QVMKACNLTBORMR-SPEDKVCISA-N 0 3 417.578 5.217 50 0 HKAAHN O[C@H](CN[C@H](c1cccs1)c1ccc(F)cc1)CO[C@@H]1CCCc2ccccc21 ZINC000014237843 558642423 /nfs/dbraw/zinc/64/24/23/558642423.db2.gz GPFNJXKIGXNQPX-BKULYWANSA-N 0 3 411.542 5.021 50 0 HKAAHN O[C@H](CN[C@@H](c1cccs1)c1ccc(F)cc1)CO[C@@H]1CCCc2ccccc21 ZINC000014237851 558642400 /nfs/dbraw/zinc/64/24/00/558642400.db2.gz GPFNJXKIGXNQPX-KIFXHHALSA-N 0 3 411.542 5.021 50 0 HKAAHN Cc1oc(-c2cccc3ccccc32)nc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000014949405 558680491 /nfs/dbraw/zinc/68/04/91/558680491.db2.gz YOSPKNRGUJUSOO-HXUWFJFHSA-N 0 3 423.516 6.324 50 0 HKAAHN Cc1oc(-c2cccc3ccccc32)nc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000014949407 558680539 /nfs/dbraw/zinc/68/05/39/558680539.db2.gz YOSPKNRGUJUSOO-FQEVSTJZSA-N 0 3 423.516 6.324 50 0 HKAAHN Fc1ccc(-n2cc(CNCCc3cscn3)c(-c3ccccc3Cl)n2)cc1 ZINC000014950167 558680823 /nfs/dbraw/zinc/68/08/23/558680823.db2.gz IZNYUIVOOBXWIJ-UHFFFAOYSA-N 0 3 412.921 5.121 50 0 HKAAHN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2cccc(O)c2)CC1 ZINC000014954270 558681639 /nfs/dbraw/zinc/68/16/39/558681639.db2.gz MLTCYVZPZAVKAV-UHFFFAOYSA-N 0 3 420.940 5.563 50 0 HKAAHN COc1ccc(-c2nc(CN3CCC[C@@H](c4ccccc4C)C3)c(C)o2)cc1OC ZINC000014954598 558681973 /nfs/dbraw/zinc/68/19/73/558681973.db2.gz BYBHKQVRAXOEDJ-HXUWFJFHSA-N 0 3 406.526 5.355 50 0 HKAAHN COc1ccc(-c2nc(CN3CCC[C@H](c4ccccc4C)C3)c(C)o2)cc1OC ZINC000014954602 558681992 /nfs/dbraw/zinc/68/19/92/558681992.db2.gz BYBHKQVRAXOEDJ-FQEVSTJZSA-N 0 3 406.526 5.355 50 0 HKAAHN Cc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)s1 ZINC000014959099 558683291 /nfs/dbraw/zinc/68/32/91/558683291.db2.gz YSYYWVHGWLJQID-UHFFFAOYSA-N 0 3 422.598 5.052 50 0 HKAAHN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2ccc(O)cc2)CC1 ZINC000014959586 558683516 /nfs/dbraw/zinc/68/35/16/558683516.db2.gz SYATVXJMYHRRLG-UHFFFAOYSA-N 0 3 420.940 5.563 50 0 HKAAHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)o1 ZINC000014960886 558684147 /nfs/dbraw/zinc/68/41/47/558684147.db2.gz JXUGOYMAFPHIOQ-UHFFFAOYSA-N 0 3 408.473 5.370 50 0 HKAAHN COc1ccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc1OC ZINC000014962216 558684587 /nfs/dbraw/zinc/68/45/87/558684587.db2.gz MGAKNPMPBZHIFN-HXUWFJFHSA-N 0 3 405.542 5.001 50 0 HKAAHN COc1ccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc1OC ZINC000014962219 558684512 /nfs/dbraw/zinc/68/45/12/558684512.db2.gz MGAKNPMPBZHIFN-FQEVSTJZSA-N 0 3 405.542 5.001 50 0 HKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000014966219 558685597 /nfs/dbraw/zinc/68/55/97/558685597.db2.gz YEIQVDDAQYZDAC-UHFFFAOYSA-N 0 3 400.522 5.213 50 0 HKAAHN CCn1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1C ZINC000014967604 558686369 /nfs/dbraw/zinc/68/63/69/558686369.db2.gz GVHOANAPXSSHDS-UHFFFAOYSA-N 0 3 416.569 5.038 50 0 HKAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccsc3)C2)cc1 ZINC000014970980 558687389 /nfs/dbraw/zinc/68/73/89/558687389.db2.gz PSHYABPKAJDXHL-HXUWFJFHSA-N 0 3 406.551 5.274 50 0 HKAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccsc3)C2)cc1 ZINC000014970984 558687369 /nfs/dbraw/zinc/68/73/69/558687369.db2.gz PSHYABPKAJDXHL-FQEVSTJZSA-N 0 3 406.551 5.274 50 0 HKAAHN O=C(CCC1CCN(Cc2ccccc2C(F)(F)F)CC1)NCc1ccc(F)cc1 ZINC000014981065 558691304 /nfs/dbraw/zinc/69/13/04/558691304.db2.gz CZXOBYBORJPQOS-UHFFFAOYSA-N 0 3 422.466 5.153 50 0 HKAAHN Cc1cccc(-c2nc3c(C)cccc3cc2CN(CCN(C)C)C(=O)C(C)C)c1 ZINC000014981196 558691736 /nfs/dbraw/zinc/69/17/36/558691736.db2.gz LWKSMMHGPALQIF-UHFFFAOYSA-N 0 3 403.570 5.065 50 0 HKAAHN CN(Cc1cc(-c2ccccc2)on1)[C@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014992218 558694823 /nfs/dbraw/zinc/69/48/23/558694823.db2.gz IVYHEHSYOAPRDM-QFIPXVFZSA-N 0 3 423.944 5.008 50 0 HKAAHN CN(Cc1cc(-c2ccccc2)on1)[C@@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014992221 558694784 /nfs/dbraw/zinc/69/47/84/558694784.db2.gz IVYHEHSYOAPRDM-JOCHJYFZSA-N 0 3 423.944 5.008 50 0 HKAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1OC ZINC000014995220 558695749 /nfs/dbraw/zinc/69/57/49/558695749.db2.gz LYNDZWSFSIWDML-GOSISDBHSA-N 0 3 411.933 5.127 50 0 HKAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1OC ZINC000014995222 558695892 /nfs/dbraw/zinc/69/58/92/558695892.db2.gz LYNDZWSFSIWDML-SFHVURJKSA-N 0 3 411.933 5.127 50 0 HKAAHN Fc1ccc(CNCc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)cc1 ZINC000015003070 558698334 /nfs/dbraw/zinc/69/83/34/558698334.db2.gz KAWRFSJRXFVAEV-UHFFFAOYSA-N 0 3 404.416 5.199 50 0 HKAAHN CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000015005543 558699106 /nfs/dbraw/zinc/69/91/06/558699106.db2.gz YGSKSPGDOIAIDV-JOCHJYFZSA-N 0 3 410.583 5.048 50 0 HKAAHN CCOc1ccc(CN2CCC3(C[C@H]3C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000015005545 558699101 /nfs/dbraw/zinc/69/91/01/558699101.db2.gz YGSKSPGDOIAIDV-QFIPXVFZSA-N 0 3 410.583 5.048 50 0 HKAAHN Cc1cc(C)n(-c2cccc(CN[C@H](C)c3cnn(-c4ccc(F)cc4F)c3C)c2)n1 ZINC000015062324 558705453 /nfs/dbraw/zinc/70/54/53/558705453.db2.gz OARCOCZWKMLVJA-QGZVFWFLSA-N 0 3 421.495 5.112 50 0 HKAAHN Cc1cc(C)n(-c2cccc(CN[C@@H](C)c3cnn(-c4ccc(F)cc4F)c3C)c2)n1 ZINC000015062326 558705386 /nfs/dbraw/zinc/70/53/86/558705386.db2.gz OARCOCZWKMLVJA-KRWDZBQOSA-N 0 3 421.495 5.112 50 0 HKAAHN Cn1cc(CN2CCCC[C@@H]2CCCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000015063056 558705693 /nfs/dbraw/zinc/70/56/93/558705693.db2.gz VFMINYFDUZNYAN-JOCHJYFZSA-N 0 3 405.542 5.006 50 0 HKAAHN Cn1cc(CN2CCCC[C@H]2CCCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000015063058 558705634 /nfs/dbraw/zinc/70/56/34/558705634.db2.gz VFMINYFDUZNYAN-QFIPXVFZSA-N 0 3 405.542 5.006 50 0 HKAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cc4ccccc4o3)C2)c(C)c1 ZINC000015065274 558708372 /nfs/dbraw/zinc/70/83/72/558708372.db2.gz VHTXMHGPTHODFX-IBGZPJMESA-N 0 3 406.526 5.381 50 0 HKAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cc4ccccc4o3)C2)c(C)c1 ZINC000015065275 558708417 /nfs/dbraw/zinc/70/84/17/558708417.db2.gz VHTXMHGPTHODFX-LJQANCHMSA-N 0 3 406.526 5.381 50 0 HKAAHN CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000015065614 558708574 /nfs/dbraw/zinc/70/85/74/558708574.db2.gz UHQGRYFCWPXUMP-UHFFFAOYSA-N 0 3 422.960 5.188 50 0 HKAAHN O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccc(O)cc2)CC1 ZINC000015065794 558708616 /nfs/dbraw/zinc/70/86/16/558708616.db2.gz ZPVYXENQDZCWLL-UHFFFAOYSA-N 0 3 404.485 5.049 50 0 HKAAHN CC[C@@H](NCc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1)c1ccncc1 ZINC000015066550 558709503 /nfs/dbraw/zinc/70/95/03/558709503.db2.gz ZZGMUVHAGABPFU-XMMPIXPASA-N 0 3 400.501 5.623 50 0 HKAAHN CC[C@H](NCc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1)c1ccncc1 ZINC000015066551 558709469 /nfs/dbraw/zinc/70/94/69/558709469.db2.gz ZZGMUVHAGABPFU-DEOSSOPVSA-N 0 3 400.501 5.623 50 0 HKAAHN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000015067995 558710589 /nfs/dbraw/zinc/71/05/89/558710589.db2.gz LYQMQJMEYHQXGV-UHFFFAOYSA-N 0 3 400.522 5.213 50 0 HKAAHN COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CNCc2cccs2)c1 ZINC000015069181 558711727 /nfs/dbraw/zinc/71/17/27/558711727.db2.gz UYSMONGMKDMOOA-UHFFFAOYSA-N 0 3 420.534 5.279 50 0 HKAAHN Cc1ccc(CN2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)o1 ZINC000015076788 558716966 /nfs/dbraw/zinc/71/69/66/558716966.db2.gz WSRJSYCVULESIY-UHFFFAOYSA-N 0 3 408.586 5.062 50 0 HKAAHN COc1cccc(-c2nc(CN3CCCC[C@@H]3CCc3ccccc3)c(C)o2)c1OC ZINC000015076855 558716806 /nfs/dbraw/zinc/71/68/06/558716806.db2.gz DWWWSKTWWLSONO-OAQYLSRUSA-N 0 3 420.553 5.655 50 0 HKAAHN COc1cccc(-c2nc(CN3CCCC[C@H]3CCc3ccccc3)c(C)o2)c1OC ZINC000015076857 558716858 /nfs/dbraw/zinc/71/68/58/558716858.db2.gz DWWWSKTWWLSONO-NRFANRHFSA-N 0 3 420.553 5.655 50 0 HKAAHN O=C(CCN1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083160 558719785 /nfs/dbraw/zinc/71/97/85/558719785.db2.gz INCKQJKAEPCBFS-HXUWFJFHSA-N 0 3 415.562 5.828 50 0 HKAAHN O=C(CCN1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083162 558719768 /nfs/dbraw/zinc/71/97/68/558719768.db2.gz INCKQJKAEPCBFS-FQEVSTJZSA-N 0 3 415.562 5.828 50 0 HKAAHN COc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4)N(C)C)c23)cc1 ZINC000015346023 558734821 /nfs/dbraw/zinc/73/48/21/558734821.db2.gz PZZBWJYZYPMAPK-HXUWFJFHSA-N 0 3 404.539 5.082 50 0 HKAAHN COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4)N(C)C)c23)cc1 ZINC000015346026 558734893 /nfs/dbraw/zinc/73/48/93/558734893.db2.gz PZZBWJYZYPMAPK-FQEVSTJZSA-N 0 3 404.539 5.082 50 0 HKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2Br)CC1 ZINC000015679756 568966826 /nfs/dbraw/zinc/96/68/26/568966826.db2.gz GAXAROPFNUEWOM-UHFFFAOYSA-N 0 3 422.392 5.029 50 0 HKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cccc(Br)c2)CC1 ZINC000015679759 568966871 /nfs/dbraw/zinc/96/68/71/568966871.db2.gz ALNYZPFVVBUOGN-UHFFFAOYSA-N 0 3 422.392 5.029 50 0 HKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000015679762 568966756 /nfs/dbraw/zinc/96/67/56/568966756.db2.gz LLIVLVRLCSRREM-UHFFFAOYSA-N 0 3 422.392 5.029 50 0 HKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000015679764 568966814 /nfs/dbraw/zinc/96/68/14/568966814.db2.gz YCIROMKHJIBYCC-UHFFFAOYSA-N 0 3 411.493 5.285 50 0 HKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000015679771 568966895 /nfs/dbraw/zinc/96/68/95/568966895.db2.gz MAGFNXDTXVQEMB-UHFFFAOYSA-N 0 3 411.493 5.285 50 0 HKAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015679800 568966807 /nfs/dbraw/zinc/96/68/07/568966807.db2.gz NNHUDLHDIJHMHO-UHFFFAOYSA-N 0 3 407.892 5.137 50 0 HKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732314 568982443 /nfs/dbraw/zinc/98/24/43/568982443.db2.gz DETSMOWQADTOFX-UHFFFAOYSA-N 0 3 415.562 5.086 50 0 HKAAHN COc1ccc(-c2nc3ccccc3c(NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000015781566 569002817 /nfs/dbraw/zinc/00/28/17/569002817.db2.gz QZUBDWWXXLALSV-UHFFFAOYSA-N 0 3 424.548 5.382 50 0 HKAAHN CCN(CCNc1nc(-c2ccc(OC)cc2)nc2ccccc21)Cc1ccccc1 ZINC000015781630 569002747 /nfs/dbraw/zinc/00/27/47/569002747.db2.gz KPSUTWBUVGSRJE-UHFFFAOYSA-N 0 3 412.537 5.239 50 0 HKAAHN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)N1CCCCC1)c1ccco1 ZINC000015859295 569015073 /nfs/dbraw/zinc/01/50/73/569015073.db2.gz FKRHKQVXPFWJRT-QHCPKHFHSA-N 0 3 400.478 5.853 50 0 HKAAHN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)N1CCCCC1)c1ccco1 ZINC000015859296 569015057 /nfs/dbraw/zinc/01/50/57/569015057.db2.gz FKRHKQVXPFWJRT-HSZRJFAPSA-N 0 3 400.478 5.853 50 0 HKAAHN CC1CC[NH+]([C@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)c2ccccc2)CC1 ZINC000015859299 569015086 /nfs/dbraw/zinc/01/50/86/569015086.db2.gz FPSIACAGIYKLLF-DEOSSOPVSA-N 0 3 414.505 6.099 50 0 HKAAHN CC1CC[NH+]([C@@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)c2ccccc2)CC1 ZINC000015859300 569015104 /nfs/dbraw/zinc/01/51/04/569015104.db2.gz FPSIACAGIYKLLF-XMMPIXPASA-N 0 3 414.505 6.099 50 0 HKAAHN Cc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000015859333 569015112 /nfs/dbraw/zinc/01/51/12/569015112.db2.gz SFMMQBRHJNTHBV-XMMPIXPASA-N 0 3 414.505 6.162 50 0 HKAAHN Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000015859334 569015114 /nfs/dbraw/zinc/01/51/14/569015114.db2.gz SFMMQBRHJNTHBV-DEOSSOPVSA-N 0 3 414.505 6.162 50 0 HKAAHN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)N1CCCCC1)c1cccs1 ZINC000015859363 569015310 /nfs/dbraw/zinc/01/53/10/569015310.db2.gz MJFFHBNNFRYDCB-QHCPKHFHSA-N 0 3 416.546 6.322 50 0 HKAAHN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)N1CCCCC1)c1cccs1 ZINC000015859364 569015290 /nfs/dbraw/zinc/01/52/90/569015290.db2.gz MJFFHBNNFRYDCB-HSZRJFAPSA-N 0 3 416.546 6.322 50 0 HKAAHN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000015859445 569015342 /nfs/dbraw/zinc/01/53/42/569015342.db2.gz MYXJYRXFELOYIL-VWLOTQADSA-N 0 3 410.517 6.260 50 0 HKAAHN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000015859446 569015339 /nfs/dbraw/zinc/01/53/39/569015339.db2.gz MYXJYRXFELOYIL-RUZDIDTESA-N 0 3 410.517 6.260 50 0 HKAAHN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000015859449 569015288 /nfs/dbraw/zinc/01/52/88/569015288.db2.gz HLIYLNBOUYSHRV-SANMLTNESA-N 0 3 424.544 6.506 50 0 HKAAHN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000015859450 569015306 /nfs/dbraw/zinc/01/53/06/569015306.db2.gz HLIYLNBOUYSHRV-AREMUKBSSA-N 0 3 424.544 6.506 50 0 HKAAHN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)N2CCCCC2)cc1 ZINC000015859563 569015318 /nfs/dbraw/zinc/01/53/18/569015318.db2.gz PGDGNMASIUSAQI-SANMLTNESA-N 0 3 424.544 6.569 50 0 HKAAHN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)N2CCCCC2)cc1 ZINC000015859564 569015295 /nfs/dbraw/zinc/01/52/95/569015295.db2.gz PGDGNMASIUSAQI-AREMUKBSSA-N 0 3 424.544 6.569 50 0 HKAAHN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000015859753 569015300 /nfs/dbraw/zinc/01/53/00/569015300.db2.gz IJQFBYMCKOXVRB-DEOSSOPVSA-N 0 3 414.509 5.292 50 0 HKAAHN Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000015859754 569015292 /nfs/dbraw/zinc/01/52/92/569015292.db2.gz IJQFBYMCKOXVRB-XMMPIXPASA-N 0 3 414.509 5.292 50 0 HKAAHN CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 ZINC000015859874 558757558 /nfs/dbraw/zinc/75/75/58/558757558.db2.gz RFIWKACKDHZJNK-SFHVURJKSA-N 0 3 415.002 5.885 50 0 HKAAHN CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 ZINC000015859875 558757612 /nfs/dbraw/zinc/75/76/12/558757612.db2.gz RFIWKACKDHZJNK-GOSISDBHSA-N 0 3 415.002 5.885 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)no2)cc1 ZINC000015859980 558757638 /nfs/dbraw/zinc/75/76/38/558757638.db2.gz KQYWNDGUNUAKES-HXUWFJFHSA-N 0 3 409.555 5.059 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)no2)cc1 ZINC000015859981 558757631 /nfs/dbraw/zinc/75/76/31/558757631.db2.gz KQYWNDGUNUAKES-FQEVSTJZSA-N 0 3 409.555 5.059 50 0 HKAAHN COC(=O)c1ccc(CN2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000015864851 569016628 /nfs/dbraw/zinc/01/66/28/569016628.db2.gz FOBRYYDBSWRCTJ-DEOSSOPVSA-N 0 3 417.574 5.561 50 0 HKAAHN COC(=O)c1ccc(CN2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1 ZINC000015864852 569016659 /nfs/dbraw/zinc/01/66/59/569016659.db2.gz FOBRYYDBSWRCTJ-XMMPIXPASA-N 0 3 417.574 5.561 50 0 HKAAHN Clc1ccc(-c2csc3ncnc(N4CCN(C5CCCCC5)CC4)c23)cc1 ZINC000015864917 569016653 /nfs/dbraw/zinc/01/66/53/569016653.db2.gz VUGOMRUUNUATTI-UHFFFAOYSA-N 0 3 412.990 5.466 50 0 HKAAHN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 ZINC000015953538 560650477 /nfs/dbraw/zinc/65/04/77/560650477.db2.gz KHTQBWLJEZPZAP-INVJPVLZSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 ZINC000015953540 560650496 /nfs/dbraw/zinc/65/04/96/560650496.db2.gz KHTQBWLJEZPZAP-KNBUBVHZSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c1 ZINC000016032479 560654772 /nfs/dbraw/zinc/65/47/72/560654772.db2.gz NGTYIDRNJTUKEY-INVJPVLZSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c1 ZINC000016032481 560654816 /nfs/dbraw/zinc/65/48/16/560654816.db2.gz NGTYIDRNJTUKEY-KNBUBVHZSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN CCOc1cc(CNC)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000016361987 558787955 /nfs/dbraw/zinc/78/79/55/558787955.db2.gz YKOSKSHLFFEFCA-UHFFFAOYSA-N 0 3 419.146 5.453 50 0 HKAAHN Clc1ccc(COc2ccc(Br)cc2CNC2CC2)c(Cl)c1 ZINC000016384973 558789310 /nfs/dbraw/zinc/78/93/10/558789310.db2.gz BHPMBTHQSAYELU-UHFFFAOYSA-N 0 3 401.131 5.587 50 0 HKAAHN Clc1ccc(COc2ccc(Cl)cc2CNC[C@@H]2CCCO2)c(Cl)c1 ZINC000016384994 558789269 /nfs/dbraw/zinc/78/92/69/558789269.db2.gz GLZUXFPVLGSRHS-KRWDZBQOSA-N 0 3 400.733 5.494 50 0 HKAAHN Clc1ccc(COc2ccc(Cl)cc2CNC[C@H]2CCCO2)c(Cl)c1 ZINC000016384998 558789245 /nfs/dbraw/zinc/78/92/45/558789245.db2.gz GLZUXFPVLGSRHS-QGZVFWFLSA-N 0 3 400.733 5.494 50 0 HKAAHN Clc1ccc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)c(Cl)c1 ZINC000016401634 558790083 /nfs/dbraw/zinc/79/00/83/558790083.db2.gz ZUGVENJLLYFADM-UHFFFAOYSA-N 0 3 416.304 5.591 50 0 HKAAHN CCOc1cc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1OC(F)F ZINC000016419441 558790370 /nfs/dbraw/zinc/79/03/70/558790370.db2.gz UCUNODOXOXBPMA-UHFFFAOYSA-N 0 3 413.468 5.037 50 0 HKAAHN O[C@@H](CNCc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000016477388 558793658 /nfs/dbraw/zinc/79/36/58/558793658.db2.gz PVEYTMUOBPHCTR-VWLOTQADSA-N 0 3 401.481 5.381 50 0 HKAAHN O[C@H](CNCc1c(OCc2ccccc2F)ccc2ccccc21)c1ccccc1 ZINC000016477391 558793610 /nfs/dbraw/zinc/79/36/10/558793610.db2.gz PVEYTMUOBPHCTR-RUZDIDTESA-N 0 3 401.481 5.381 50 0 HKAAHN O[C@@H](CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477400 571313790 /nfs/dbraw/zinc/31/37/90/571313790.db2.gz BFICVXWBYNGYGK-NRFANRHFSA-N 0 3 402.321 5.396 50 0 HKAAHN O[C@H](CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477403 571313694 /nfs/dbraw/zinc/31/36/94/571313694.db2.gz BFICVXWBYNGYGK-OAQYLSRUSA-N 0 3 402.321 5.396 50 0 HKAAHN O[C@@H](CNCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477434 571313709 /nfs/dbraw/zinc/31/37/09/571313709.db2.gz ZOQGVUNIJPBTGE-NRFANRHFSA-N 0 3 402.321 5.396 50 0 HKAAHN O[C@H](CNCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477437 571313799 /nfs/dbraw/zinc/31/37/99/571313799.db2.gz ZOQGVUNIJPBTGE-OAQYLSRUSA-N 0 3 402.321 5.396 50 0 HKAAHN O[C@@H](CNCc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477547 558793569 /nfs/dbraw/zinc/79/35/69/558793569.db2.gz XWIXVVVHURQWNJ-NRFANRHFSA-N 0 3 402.321 5.396 50 0 HKAAHN O[C@H](CNCc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477550 558793661 /nfs/dbraw/zinc/79/36/61/558793661.db2.gz XWIXVVVHURQWNJ-OAQYLSRUSA-N 0 3 402.321 5.396 50 0 HKAAHN Fc1ccccc1COc1ccc(Br)cc1CNCCc1ccccc1 ZINC000016479346 558793766 /nfs/dbraw/zinc/79/37/66/558793766.db2.gz XOWLNLLJONNPRD-UHFFFAOYSA-N 0 3 414.318 5.500 50 0 HKAAHN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2)c(Cl)c1 ZINC000016480087 558794078 /nfs/dbraw/zinc/79/40/78/558794078.db2.gz ASXKMJHHDVQCFQ-UHFFFAOYSA-N 0 3 422.355 7.015 50 0 HKAAHN Clc1ccc(COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)c(Cl)c1 ZINC000016525880 558795309 /nfs/dbraw/zinc/79/53/09/558795309.db2.gz KRZMXSVGBCMNIY-IBGZPJMESA-N 0 3 416.348 5.994 50 0 HKAAHN Clc1ccc(COc2ccc3ccccc3c2CNC[C@H]2CCCO2)c(Cl)c1 ZINC000016525882 558795321 /nfs/dbraw/zinc/79/53/21/558795321.db2.gz KRZMXSVGBCMNIY-LJQANCHMSA-N 0 3 416.348 5.994 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000017088554 558817321 /nfs/dbraw/zinc/81/73/21/558817321.db2.gz ZRTZWUHONCHQGS-JTHBVZDNSA-N 0 3 410.517 5.067 50 0 HKAAHN C[C@]12CC3CC(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)(C1)C[C@@](C)(C3)C2 ZINC000017088671 558817425 /nfs/dbraw/zinc/81/74/25/558817425.db2.gz YBLRRUWRTXAUNN-BKUJJWMOSA-N 0 3 410.646 5.096 50 0 HKAAHN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017090831 558819616 /nfs/dbraw/zinc/81/96/16/558819616.db2.gz QFRMOSNBYHKNFC-UHFFFAOYSA-N 0 3 416.565 5.206 50 0 HKAAHN c1ccc(N2N=Cc3ccccc3/C2=C2\c3ccccc3C=NN2c2ccccc2)cc1 ZINC000017118532 558822951 /nfs/dbraw/zinc/82/29/51/558822951.db2.gz HJKXXCOYJYHASN-DQSJHHFOSA-N 0 3 412.496 6.221 50 0 HKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cccc2C)s1 ZINC000017287582 560705889 /nfs/dbraw/zinc/70/58/89/560705889.db2.gz UBNXZEQQZVZKGI-UHFFFAOYSA-N 0 3 421.610 5.472 50 0 HKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(C)cc2s1 ZINC000017287607 560705885 /nfs/dbraw/zinc/70/58/85/560705885.db2.gz QWDALOPCDSOFPE-UHFFFAOYSA-N 0 3 421.610 5.472 50 0 HKAAHN C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000017315176 560707587 /nfs/dbraw/zinc/70/75/87/560707587.db2.gz FMZKJMNIONCHSV-GOSISDBHSA-N 0 3 402.929 5.498 50 0 HKAAHN C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000017315179 560707576 /nfs/dbraw/zinc/70/75/76/560707576.db2.gz FMZKJMNIONCHSV-SFHVURJKSA-N 0 3 402.929 5.498 50 0 HKAAHN C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315420 560707593 /nfs/dbraw/zinc/70/75/93/560707593.db2.gz MQKNJTRUZWOXAJ-QGZVFWFLSA-N 0 3 404.464 5.122 50 0 HKAAHN C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315422 560707597 /nfs/dbraw/zinc/70/75/97/560707597.db2.gz MQKNJTRUZWOXAJ-KRWDZBQOSA-N 0 3 404.464 5.122 50 0 HKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1sc2cc(F)ccc2c1Cl ZINC000017362949 560712730 /nfs/dbraw/zinc/71/27/30/560712730.db2.gz SGIXTRQSXBONEG-UHFFFAOYSA-N 0 3 402.922 5.088 50 0 HKAAHN CN(Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C1CCCCC1 ZINC000019147960 558847070 /nfs/dbraw/zinc/84/70/70/558847070.db2.gz FVMQOEHRIWAUSQ-UHFFFAOYSA-N 0 3 416.997 5.159 50 0 HKAAHN CCc1cc2c(ncnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000019202713 536159749 /nfs/dbraw/zinc/15/97/49/536159749.db2.gz RFJUDYLGMPXVJH-UHFFFAOYSA-N 0 3 414.578 5.165 50 0 HKAAHN O=C(CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)NCc1ccccc1F ZINC000019299857 558866216 /nfs/dbraw/zinc/86/62/16/558866216.db2.gz RYSXRPFPLQCTMX-KRWDZBQOSA-N 0 3 422.466 5.153 50 0 HKAAHN O=C(CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)NCc1ccccc1F ZINC000019299859 558866334 /nfs/dbraw/zinc/86/63/34/558866334.db2.gz RYSXRPFPLQCTMX-QGZVFWFLSA-N 0 3 422.466 5.153 50 0 HKAAHN Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000019300155 558866279 /nfs/dbraw/zinc/86/62/79/558866279.db2.gz MCOUNTOHDVPWGM-UHFFFAOYSA-N 0 3 418.540 5.998 50 0 biogenic HKAAHN Cc1ccc(-c2n[nH]cc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019361901 558876550 /nfs/dbraw/zinc/87/65/50/558876550.db2.gz QRQBNEVLTLOIOJ-UHFFFAOYSA-N 0 3 422.576 5.292 50 0 HKAAHN c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019362713 558876611 /nfs/dbraw/zinc/87/66/11/558876611.db2.gz RAQPOZGWANIDQT-UHFFFAOYSA-N 0 3 414.593 5.043 50 0 in-vitro HKAAHN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019418405 558885362 /nfs/dbraw/zinc/88/53/62/558885362.db2.gz WZBDINFXSFDSTL-UHFFFAOYSA-N 0 3 411.332 5.804 50 0 HKAAHN COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000019634853 558947551 /nfs/dbraw/zinc/94/75/51/558947551.db2.gz RCTFVFWXRMEZCM-UHFFFAOYSA-N 0 3 400.444 5.189 50 0 HKAAHN COc1cc(Br)c(CNCCc2ccc(Cl)cc2Cl)cc1OC ZINC000019720621 560875718 /nfs/dbraw/zinc/87/57/18/560875718.db2.gz HOHYAJVOTPPCKH-UHFFFAOYSA-N 0 3 419.146 5.105 50 0 HKAAHN CN(c1ccccc1)c1ccc(CN2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000019731216 558259556 /nfs/dbraw/zinc/25/95/56/558259556.db2.gz SCWPSJIICOQEPZ-QFIPXVFZSA-N 0 3 405.586 5.069 50 0 HKAAHN CN(c1ccccc1)c1ccc(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000019731218 558259511 /nfs/dbraw/zinc/25/95/11/558259511.db2.gz SCWPSJIICOQEPZ-JOCHJYFZSA-N 0 3 405.586 5.069 50 0 HKAAHN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019762356 558277199 /nfs/dbraw/zinc/27/71/99/558277199.db2.gz RUIDHNVDGAIZFF-UHFFFAOYSA-N 0 3 411.332 5.804 50 0 HKAAHN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000019770306 558279294 /nfs/dbraw/zinc/27/92/94/558279294.db2.gz DPJUOUATWMHHCC-UHFFFAOYSA-N 0 3 411.505 5.346 50 0 HKAAHN C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000019770964 558279721 /nfs/dbraw/zinc/27/97/21/558279721.db2.gz VUDAJUSYSVGWKC-MRXNPFEDSA-N 0 3 403.507 5.180 50 0 HKAAHN C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000019770965 558279772 /nfs/dbraw/zinc/27/97/72/558279772.db2.gz VUDAJUSYSVGWKC-INIZCTEOSA-N 0 3 403.507 5.180 50 0 HKAAHN CCn1c2ccccc2c2cc(CN3CCN(Cc4c[nH]c5ccccc45)CC3)ccc21 ZINC000019782002 558281503 /nfs/dbraw/zinc/28/15/03/558281503.db2.gz FKMRLRUCQQTCKL-UHFFFAOYSA-N 0 3 422.576 5.614 50 0 HKAAHN O=C(Nc1ccccc1Br)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019792694 558283454 /nfs/dbraw/zinc/28/34/54/558283454.db2.gz AQJMDAAWKINHPY-UHFFFAOYSA-N 0 3 421.338 5.260 50 0 HKAAHN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019794368 558283639 /nfs/dbraw/zinc/28/36/39/558283639.db2.gz HYBGSUMURIUERW-UHFFFAOYSA-N 0 3 411.332 5.804 50 0 HKAAHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019794728 558284052 /nfs/dbraw/zinc/28/40/52/558284052.db2.gz DGZYFBXJOPXVBE-UHFFFAOYSA-N 0 3 410.439 5.516 50 0 HKAAHN O=C(NCCSC1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019798639 558284767 /nfs/dbraw/zinc/28/47/67/558284767.db2.gz GPJQMIKRKRCJIH-UHFFFAOYSA-N 0 3 408.611 5.041 50 0 HKAAHN COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl ZINC000019800296 558285217 /nfs/dbraw/zinc/28/52/17/558285217.db2.gz ALORVGAVZQXHPT-UHFFFAOYSA-N 0 3 406.913 5.159 50 0 HKAAHN Nc1c(Cl)cc([C@@H](O)CNC2c3ccccc3CCc3ccccc32)cc1Cl ZINC000019801782 527431920 /nfs/dbraw/zinc/43/19/20/527431920.db2.gz KNHAYJPWZAIJQG-NRFANRHFSA-N 0 3 413.348 5.087 50 0 HKAAHN Nc1c(Cl)cc([C@H](O)CNC2c3ccccc3CCc3ccccc32)cc1Cl ZINC000019801784 558285577 /nfs/dbraw/zinc/28/55/77/558285577.db2.gz KNHAYJPWZAIJQG-OAQYLSRUSA-N 0 3 413.348 5.087 50 0 HKAAHN COc1ccccc1O[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019801804 569430539 /nfs/dbraw/zinc/43/05/39/569430539.db2.gz NBIXQTAFCALVHC-VWLOTQADSA-N 0 3 416.565 5.023 50 0 HKAAHN COc1ccccc1O[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019801807 569430517 /nfs/dbraw/zinc/43/05/17/569430517.db2.gz NBIXQTAFCALVHC-RUZDIDTESA-N 0 3 416.565 5.023 50 0 HKAAHN c1ccc(CCN(Cc2ccccc2)Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000019810096 558286593 /nfs/dbraw/zinc/28/65/93/558286593.db2.gz IPNODZKIAJOAQZ-UHFFFAOYSA-N 0 3 407.557 6.511 50 0 HKAAHN COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019811920 558286904 /nfs/dbraw/zinc/28/69/04/558286904.db2.gz ZOLQUIREJYEJQN-UHFFFAOYSA-N 0 3 406.913 5.159 50 0 HKAAHN Cc1ccc(SCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000019812141 558287226 /nfs/dbraw/zinc/28/72/26/558287226.db2.gz QNYSXKFFXNCLHC-UHFFFAOYSA-N 0 3 416.590 5.075 50 0 HKAAHN COCc1ccc(CN2CCC(c3n[nH]cc3-c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000019835549 558292724 /nfs/dbraw/zinc/29/27/24/558292724.db2.gz WTKHHUSXYNKIIS-UHFFFAOYSA-N 0 3 419.447 5.215 50 0 HKAAHN COc1ccc2cc([C@@H](C)NCc3c[nH]nc3-c3ccc(OC)c(F)c3)ccc2c1 ZINC000019837253 558292981 /nfs/dbraw/zinc/29/29/81/558292981.db2.gz JVTSAUUSHBSZRW-OAHLLOKOSA-N 0 3 405.473 5.237 50 0 HKAAHN COc1ccc2cc([C@H](C)NCc3c[nH]nc3-c3ccc(OC)c(F)c3)ccc2c1 ZINC000019837255 558293056 /nfs/dbraw/zinc/29/30/56/558293056.db2.gz JVTSAUUSHBSZRW-HNNXBMFYSA-N 0 3 405.473 5.237 50 0 HKAAHN O=C(CC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000019865727 558298845 /nfs/dbraw/zinc/29/88/45/558298845.db2.gz QKKBQECJDMWKCR-KRWDZBQOSA-N 0 3 412.480 5.020 50 0 HKAAHN O=C(CC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000019865731 558298800 /nfs/dbraw/zinc/29/88/00/558298800.db2.gz QKKBQECJDMWKCR-QGZVFWFLSA-N 0 3 412.480 5.020 50 0 HKAAHN Cc1nc2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019878097 569357420 /nfs/dbraw/zinc/35/74/20/569357420.db2.gz QSAUUWNHPOMXNA-UHFFFAOYSA-N 0 3 424.592 5.142 50 0 HKAAHN CCCC[C@H](CC)COC[C@@H](CN(C)C)OC[C@@H](C)COC[C@@H](CC)CCCC ZINC000019878820 558300211 /nfs/dbraw/zinc/30/02/11/558300211.db2.gz OXQSXJOQFXUCQG-OJJQZRKESA-N 0 3 415.703 6.035 50 0 HKAAHN Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019879423 569433079 /nfs/dbraw/zinc/43/30/79/569433079.db2.gz UXBFWPHVZCTVEJ-DEOSSOPVSA-N 0 3 405.542 5.589 50 0 HKAAHN Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019879425 525448428 /nfs/dbraw/zinc/44/84/28/525448428.db2.gz UXBFWPHVZCTVEJ-XMMPIXPASA-N 0 3 405.542 5.589 50 0 HKAAHN c1ccc(Oc2cccc(CN3CCN(Cc4cccc5ccccc54)CC3)c2)cc1 ZINC000019889522 558302512 /nfs/dbraw/zinc/30/25/12/558302512.db2.gz YZUBSEWQLIQEDK-UHFFFAOYSA-N 0 3 408.545 5.950 50 0 HKAAHN CCn1c2ccccc2c2cc(CN3CCN(CCCc4ccccc4)CC3)ccc21 ZINC000019889663 558302695 /nfs/dbraw/zinc/30/26/95/558302695.db2.gz YAWVDKMXPAXGBG-UHFFFAOYSA-N 0 3 411.593 5.565 50 0 HKAAHN CCc1ccc(CN2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1 ZINC000019889961 558302841 /nfs/dbraw/zinc/30/28/41/558302841.db2.gz ZQSGNJCMZDFONK-UHFFFAOYSA-N 0 3 411.593 5.695 50 0 HKAAHN COc1ccc(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC ZINC000019908319 558305947 /nfs/dbraw/zinc/30/59/47/558305947.db2.gz GLOXFQFXFHWHDP-UHFFFAOYSA-N 0 3 423.556 5.828 50 0 HKAAHN Oc1cccc([C@@H](O)CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000019922662 558307341 /nfs/dbraw/zinc/30/73/41/558307341.db2.gz KXUGYUOPTUNPBG-QFIPXVFZSA-N 0 3 418.320 5.101 50 0 HKAAHN Oc1cccc([C@H](O)CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000019922665 558307330 /nfs/dbraw/zinc/30/73/30/558307330.db2.gz KXUGYUOPTUNPBG-JOCHJYFZSA-N 0 3 418.320 5.101 50 0 HKAAHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020027007 558322574 /nfs/dbraw/zinc/32/25/74/558322574.db2.gz FFLWOULVFGWVPE-UHFFFAOYSA-N 0 3 410.439 5.516 50 0 HKAAHN C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2NC2CCCCCCCCCCC2)[C@@H]1C ZINC000020058132 558328958 /nfs/dbraw/zinc/32/89/58/558328958.db2.gz YKSIZWWEVLYGSR-PDMAMLTQSA-N 0 3 424.673 7.229 50 0 HKAAHN COc1ccc(CCN(C)Cc2c(-c3ccc(C)cc3)nc3sccn23)cc1OC ZINC000020131254 558337250 /nfs/dbraw/zinc/33/72/50/558337250.db2.gz FOUOXXMFHFPRQJ-UHFFFAOYSA-N 0 3 421.566 5.063 50 0 HKAAHN Cc1sc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1C ZINC000020137426 558337674 /nfs/dbraw/zinc/33/76/74/558337674.db2.gz GIKXFPSMVAEOAI-UHFFFAOYSA-N 0 3 414.578 5.220 50 0 HKAAHN CC1=C(C)[C@H](NC2CCCCCCCCCCC2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000020158447 558342382 /nfs/dbraw/zinc/34/23/82/558342382.db2.gz IRXHHOJTUFUDPU-WXVAWEFUSA-N 0 3 424.673 6.775 50 0 HKAAHN CC1=C(C)[C@H](NC2CCCCCCCCCCC2)N([C@H](C)CCc2ccccc2)C1=O ZINC000020158451 558342310 /nfs/dbraw/zinc/34/23/10/558342310.db2.gz IRXHHOJTUFUDPU-AJTFRIOCSA-N 0 3 424.673 6.775 50 0 HKAAHN CC1=C(C)[C@@H](NC2CCCCCCCCCCC2)N([C@H](C)CCc2ccccc2)C1=O ZINC000020158454 558342395 /nfs/dbraw/zinc/34/23/95/558342395.db2.gz IRXHHOJTUFUDPU-AMGIVPHBSA-N 0 3 424.673 6.775 50 0 HKAAHN Cc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCN(C)CC2)cc1 ZINC000020192837 568593658 /nfs/dbraw/zinc/59/36/58/568593658.db2.gz CFIZBVFZOMLBEZ-SANMLTNESA-N 0 3 411.549 5.191 50 0 HKAAHN Cc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCN(C)CC2)cc1 ZINC000020192839 568593689 /nfs/dbraw/zinc/59/36/89/568593689.db2.gz CFIZBVFZOMLBEZ-AREMUKBSSA-N 0 3 411.549 5.191 50 0 HKAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000020204033 558346598 /nfs/dbraw/zinc/34/65/98/558346598.db2.gz UUFHTADOTQLUNF-UHFFFAOYSA-N 0 3 405.590 5.149 50 0 HKAAHN O[C@@](CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219110 568594872 /nfs/dbraw/zinc/59/48/72/568594872.db2.gz QFDUAGXNYOOMPH-NRFANRHFSA-N 0 3 406.740 5.673 50 0 HKAAHN O[C@](CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219111 568594909 /nfs/dbraw/zinc/59/49/09/568594909.db2.gz QFDUAGXNYOOMPH-OAQYLSRUSA-N 0 3 406.740 5.673 50 0 HKAAHN O[C@@](CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219117 568595007 /nfs/dbraw/zinc/59/50/07/568595007.db2.gz NGZHSBLEKIJMFY-NRFANRHFSA-N 0 3 405.847 5.385 50 0 HKAAHN O[C@](CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020219118 568594913 /nfs/dbraw/zinc/59/49/13/568594913.db2.gz NGZHSBLEKIJMFY-OAQYLSRUSA-N 0 3 405.847 5.385 50 0 HKAAHN O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020271793 558353175 /nfs/dbraw/zinc/35/31/75/558353175.db2.gz PQMWUVZVYHEPJQ-UHFFFAOYSA-N 0 3 418.540 6.164 50 0 HKAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286204 568596877 /nfs/dbraw/zinc/59/68/77/568596877.db2.gz PWJXPUDMKFNRTB-UHFFFAOYSA-N 0 3 423.969 5.307 50 0 HKAAHN Cc1ccc2nc(Cl)c3cc(C(=O)NCCN(C)Cc4ccccc4)sc3c2c1 ZINC000020321503 568598961 /nfs/dbraw/zinc/59/89/61/568598961.db2.gz JUEVTXULEOKHLN-UHFFFAOYSA-N 0 3 423.969 5.273 50 0 HKAAHN COc1cc(-c2nc(CN3CCC[C@@H](c4cccc(C)c4)C3)c(C)o2)cc2c1OCO2 ZINC000020327765 558355962 /nfs/dbraw/zinc/35/59/62/558355962.db2.gz UBTOTVUWIBEOGG-LJQANCHMSA-N 0 3 420.509 5.075 50 0 HKAAHN COc1cc(-c2nc(CN3CCC[C@H](c4cccc(C)c4)C3)c(C)o2)cc2c1OCO2 ZINC000020327770 558355889 /nfs/dbraw/zinc/35/58/89/558355889.db2.gz UBTOTVUWIBEOGG-IBGZPJMESA-N 0 3 420.509 5.075 50 0 HKAAHN Clc1ccc(-c2noc3ncnc(NC4CCN(Cc5ccccc5)CC4)c32)cc1 ZINC000020329553 568599111 /nfs/dbraw/zinc/59/91/11/568599111.db2.gz VHMBLAAKVHIXHC-UHFFFAOYSA-N 0 3 419.916 5.015 50 0 HKAAHN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020363981 558358479 /nfs/dbraw/zinc/35/84/79/558358479.db2.gz IQAFQKLAZLWOAU-UHFFFAOYSA-N 0 3 411.332 5.804 50 0 HKAAHN OC(CNCc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365329 527503121 /nfs/dbraw/zinc/50/31/21/527503121.db2.gz DUOOPYVZYTVKTH-UHFFFAOYSA-N 0 3 406.740 5.673 50 0 HKAAHN OC(CNCc1ccccc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365337 568601323 /nfs/dbraw/zinc/60/13/23/568601323.db2.gz UIUYZFWJZHZEML-UHFFFAOYSA-N 0 3 406.740 5.673 50 0 HKAAHN COc1cccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000020365339 568601355 /nfs/dbraw/zinc/60/13/55/568601355.db2.gz IHESIDBSDQSQLP-UHFFFAOYSA-N 0 3 402.321 5.028 50 0 HKAAHN COc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000020365342 568601267 /nfs/dbraw/zinc/60/12/67/568601267.db2.gz BGVKRGSSHQCQDF-UHFFFAOYSA-N 0 3 402.321 5.028 50 0 HKAAHN OC(CNCc1cccc(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365344 568601318 /nfs/dbraw/zinc/60/13/18/568601318.db2.gz GMCBCRQQVNSGKQ-UHFFFAOYSA-N 0 3 406.740 5.673 50 0 HKAAHN COc1ccccc1CNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365351 568601335 /nfs/dbraw/zinc/60/13/35/568601335.db2.gz NMEOYLUNPQMPFS-UHFFFAOYSA-N 0 3 402.321 5.028 50 0 HKAAHN FCCCOc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020365649 558358517 /nfs/dbraw/zinc/35/85/17/558358517.db2.gz IQIYVDXBAHBKHO-UHFFFAOYSA-N 0 3 418.556 5.332 50 0 HKAAHN OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365929 568601357 /nfs/dbraw/zinc/60/13/57/568601357.db2.gz SQKLMFBWUXKBPJ-UHFFFAOYSA-N 0 3 407.382 5.009 50 0 HKAAHN OC(CNCc1ccc(Cl)c(Cl)c1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365930 568601289 /nfs/dbraw/zinc/60/12/89/568601289.db2.gz GPVBSYHHRZBBEA-UHFFFAOYSA-N 0 3 408.275 5.297 50 0 HKAAHN OC(CNCc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365932 568601239 /nfs/dbraw/zinc/60/12/39/568601239.db2.gz QMTPFDCTDDBZNJ-UHFFFAOYSA-N 0 3 408.275 5.297 50 0 HKAAHN Cc1sc2ncnc(N3CCN(Cc4c(C)ccc5ccccc54)CC3)c2c1C ZINC000020389576 558358992 /nfs/dbraw/zinc/35/89/92/558358992.db2.gz BAFNBMSEJBJSRV-UHFFFAOYSA-N 0 3 402.567 5.092 50 0 HKAAHN COc1ccc(-c2nc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc1C ZINC000020450490 558365246 /nfs/dbraw/zinc/36/52/46/558365246.db2.gz NMQBXRQUFCEYQM-LJQANCHMSA-N 0 3 417.509 5.488 50 0 HKAAHN COc1ccc(-c2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc1C ZINC000020450492 558365330 /nfs/dbraw/zinc/36/53/30/558365330.db2.gz NMQBXRQUFCEYQM-IBGZPJMESA-N 0 3 417.509 5.488 50 0 HKAAHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)o1 ZINC000020452840 558367207 /nfs/dbraw/zinc/36/72/07/558367207.db2.gz WOLUZFDMTOFZEW-UHFFFAOYSA-N 0 3 415.493 5.247 50 0 HKAAHN CCc1ccc(CN2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)cc1 ZINC000020455796 558369531 /nfs/dbraw/zinc/36/95/31/558369531.db2.gz QUDBPHLSWHYWRD-UHFFFAOYSA-N 0 3 417.557 5.235 50 0 HKAAHN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC000020532112 568627831 /nfs/dbraw/zinc/62/78/31/568627831.db2.gz TWYOHVHNCJSNKD-KRWDZBQOSA-N 0 3 417.475 5.008 50 0 HKAAHN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](CN2CCc3ccccc3C2)C1 ZINC000020532113 568627823 /nfs/dbraw/zinc/62/78/23/568627823.db2.gz TWYOHVHNCJSNKD-QGZVFWFLSA-N 0 3 417.475 5.008 50 0 HKAAHN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC000020532114 568627726 /nfs/dbraw/zinc/62/77/26/568627726.db2.gz GQWUOZNRYNHUKD-KRWDZBQOSA-N 0 3 417.475 5.008 50 0 HKAAHN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](CN2CCc3ccccc3C2)C1 ZINC000020532115 568627915 /nfs/dbraw/zinc/62/79/15/568627915.db2.gz GQWUOZNRYNHUKD-QGZVFWFLSA-N 0 3 417.475 5.008 50 0 HKAAHN Fc1ccc(-c2noc3ncnc(NCc4ccc(CN5CCCCCC5)o4)c32)cc1 ZINC000020574521 526319816 /nfs/dbraw/zinc/31/98/16/526319816.db2.gz PQGWSBVUVHUDFQ-UHFFFAOYSA-N 0 3 421.476 5.005 50 0 HKAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)o1 ZINC000020575554 523177769 /nfs/dbraw/zinc/17/77/69/523177769.db2.gz KDZALDFJQRPMBQ-LJQANCHMSA-N 0 3 416.525 5.004 50 0 HKAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)o1 ZINC000020575555 523029417 /nfs/dbraw/zinc/02/94/17/523029417.db2.gz KDZALDFJQRPMBQ-IBGZPJMESA-N 0 3 416.525 5.004 50 0 HKAAHN Clc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020600493 526932560 /nfs/dbraw/zinc/93/25/60/526932560.db2.gz FPQYGNSJVDUEFQ-LJQANCHMSA-N 0 3 417.944 5.295 50 0 HKAAHN Clc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020600494 526933530 /nfs/dbraw/zinc/93/35/30/526933530.db2.gz FPQYGNSJVDUEFQ-IBGZPJMESA-N 0 3 417.944 5.295 50 0 HKAAHN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000020601756 527310418 /nfs/dbraw/zinc/31/04/18/527310418.db2.gz OANDXDLXOLQTSP-UHFFFAOYSA-N 0 3 400.478 5.544 50 0 HKAAHN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000020616906 558393496 /nfs/dbraw/zinc/39/34/96/558393496.db2.gz UDUXPEPCGFEPON-UHFFFAOYSA-N 0 3 419.525 5.109 50 0 HKAAHN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000020637316 558396484 /nfs/dbraw/zinc/39/64/84/558396484.db2.gz DBVBIEXJCNVDMF-UHFFFAOYSA-N 0 3 410.521 5.081 50 0 HKAAHN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000020777905 558412230 /nfs/dbraw/zinc/41/22/30/558412230.db2.gz KFWMLCORESJERM-QFIPXVFZSA-N 0 3 409.961 5.392 50 0 HKAAHN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000020777909 558412237 /nfs/dbraw/zinc/41/22/37/558412237.db2.gz KFWMLCORESJERM-JOCHJYFZSA-N 0 3 409.961 5.392 50 0 HKAAHN Fc1ccc(OCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020840197 558417109 /nfs/dbraw/zinc/41/71/09/558417109.db2.gz NBRCGYXCBNFBSK-UHFFFAOYSA-N 0 3 418.556 5.392 50 0 HKAAHN c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c5ccccc5[nH]c43)CC2)cc1 ZINC000020840401 558417021 /nfs/dbraw/zinc/41/70/21/558417021.db2.gz DDSNVSFUIHQPOI-UHFFFAOYSA-N 0 3 419.532 5.023 50 0 HKAAHN c1ccc(C(c2ccccc2)N2CCN(CCOc3cccc4ccccc43)CC2)cc1 ZINC000020841158 558417248 /nfs/dbraw/zinc/41/72/48/558417248.db2.gz SNOAIVYYAVGEGQ-UHFFFAOYSA-N 0 3 422.572 5.626 50 0 HKAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020858346 568645679 /nfs/dbraw/zinc/64/56/79/568645679.db2.gz IEBFVZCQJMRWQX-UHFFFAOYSA-N 0 3 422.550 5.075 50 0 HKAAHN Clc1ccc(COc2ccc(CNCc3ccccc3)cc2Br)cc1 ZINC000020876404 558419306 /nfs/dbraw/zinc/41/93/06/558419306.db2.gz WWGGSSZRGDEPEZ-UHFFFAOYSA-N 0 3 416.746 5.971 50 0 HKAAHN Cc1ccc(CN2CCC(CNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020889595 568647632 /nfs/dbraw/zinc/64/76/32/568647632.db2.gz CETMVZMPXNISCN-UHFFFAOYSA-N 0 3 405.464 5.048 50 0 HKAAHN O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000020906564 558421193 /nfs/dbraw/zinc/42/11/93/558421193.db2.gz KRFDQXAOFQAVFR-UHFFFAOYSA-N 0 3 416.550 5.142 50 0 HKAAHN Clc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1 ZINC000020918406 558423057 /nfs/dbraw/zinc/42/30/57/558423057.db2.gz GBWVZNROGHUIMZ-QGZVFWFLSA-N 0 3 423.973 5.357 50 0 HKAAHN Clc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1 ZINC000020918414 558423053 /nfs/dbraw/zinc/42/30/53/558423053.db2.gz GBWVZNROGHUIMZ-KRWDZBQOSA-N 0 3 423.973 5.357 50 0 HKAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CNC[C@H](OC)c2cccs2)c1 ZINC000020992025 558425935 /nfs/dbraw/zinc/42/59/35/558425935.db2.gz ITNHGZQRRVEDQI-QFIPXVFZSA-N 0 3 419.550 5.087 50 0 HKAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CNC[C@@H](OC)c2cccs2)c1 ZINC000020992029 558426114 /nfs/dbraw/zinc/42/61/14/558426114.db2.gz ITNHGZQRRVEDQI-JOCHJYFZSA-N 0 3 419.550 5.087 50 0 HKAAHN Cc1ccc2nc3sc(C(=O)Nc4ccc(CN5CCCCC5)cc4)cc3cc2c1 ZINC000021087492 568661180 /nfs/dbraw/zinc/66/11/80/568661180.db2.gz XKTWBHGGAVNSRO-UHFFFAOYSA-N 0 3 415.562 5.996 50 0 HKAAHN CC(C)[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000021584298 558442286 /nfs/dbraw/zinc/44/22/86/558442286.db2.gz IMDCVMLSARQXGN-RUZDIDTESA-N 0 3 423.988 5.883 50 0 HKAAHN CC(C)[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000021584301 558442298 /nfs/dbraw/zinc/44/22/98/558442298.db2.gz IMDCVMLSARQXGN-VWLOTQADSA-N 0 3 423.988 5.883 50 0 HKAAHN Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2cccc(-c3cccs3)c2n1 ZINC000021705042 568743384 /nfs/dbraw/zinc/74/33/84/568743384.db2.gz GHIKCQOWGKHTJN-UHFFFAOYSA-N 0 3 419.594 5.362 50 0 HKAAHN Clc1cccc(-c2noc3ncnc(NC4CCN(Cc5ccccc5)CC4)c32)c1 ZINC000021714565 568748819 /nfs/dbraw/zinc/74/88/19/568748819.db2.gz FMKDDSQXICBPTB-UHFFFAOYSA-N 0 3 419.916 5.015 50 0 HKAAHN CCc1cc2c(ncnc2NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000021716298 568749880 /nfs/dbraw/zinc/74/98/80/568749880.db2.gz IHHUHSLALAPVNS-UHFFFAOYSA-N 0 3 400.979 5.231 50 0 HKAAHN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000021805653 558951905 /nfs/dbraw/zinc/95/19/05/558951905.db2.gz ZFQSCNKMQRKADV-SANMLTNESA-N 0 3 424.548 5.699 50 0 HKAAHN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000021805656 558951914 /nfs/dbraw/zinc/95/19/14/558951914.db2.gz ZFQSCNKMQRKADV-AREMUKBSSA-N 0 3 424.548 5.699 50 0 HKAAHN CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000021868987 568756143 /nfs/dbraw/zinc/75/61/43/568756143.db2.gz AXPXLXGROJKTGC-LJQANCHMSA-N 0 3 408.571 5.108 50 0 HKAAHN CC[C@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000021868990 568756077 /nfs/dbraw/zinc/75/60/77/568756077.db2.gz AXPXLXGROJKTGC-IBGZPJMESA-N 0 3 408.571 5.108 50 0 HKAAHN Clc1ccc(-c2csc3ncnc(NCCN4CCc5ccccc5C4)c23)cc1 ZINC000021933162 568761694 /nfs/dbraw/zinc/76/16/94/568761694.db2.gz ZSKKSFZMHKUGNZ-UHFFFAOYSA-N 0 3 420.969 5.482 50 0 HKAAHN CN(CCCNC(=O)c1ccccc1SCc1cccs1)Cc1ccccc1 ZINC000021939049 568472496 /nfs/dbraw/zinc/47/24/96/568472496.db2.gz ZERILWLDFVUKQE-UHFFFAOYSA-N 0 3 410.608 5.292 50 0 HKAAHN CN(CCCNC(=O)c1ccccc1SCc1ccsc1)Cc1ccccc1 ZINC000021939094 558456476 /nfs/dbraw/zinc/45/64/76/558456476.db2.gz CVGANSAQBNAVKW-UHFFFAOYSA-N 0 3 410.608 5.292 50 0 HKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N(CCCc1ccccc1)CC2 ZINC000022022988 558458624 /nfs/dbraw/zinc/45/86/24/558458624.db2.gz SHXRSKZZJYKRPW-SANMLTNESA-N 0 3 405.513 5.423 50 0 HKAAHN COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N(CCCc1ccccc1)CC2 ZINC000022022989 558458566 /nfs/dbraw/zinc/45/85/66/558458566.db2.gz SHXRSKZZJYKRPW-AREMUKBSSA-N 0 3 405.513 5.423 50 0 HKAAHN c1cn(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022035648 558459316 /nfs/dbraw/zinc/45/93/16/558459316.db2.gz LMHLQJPFNQJKMD-UHFFFAOYSA-N 0 3 423.604 5.829 50 0 HKAAHN O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000022064184 558461158 /nfs/dbraw/zinc/46/11/58/558461158.db2.gz CVDLZITUJYNWGP-UHFFFAOYSA-N 0 3 411.332 5.804 50 0 HKAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)c(C)c2)CC1 ZINC000022067985 558461276 /nfs/dbraw/zinc/46/12/76/558461276.db2.gz MHRYCDXWUPSZGT-UHFFFAOYSA-N 0 3 423.557 5.257 50 0 HKAAHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022199740 558466370 /nfs/dbraw/zinc/46/63/70/558466370.db2.gz BLTJNQXEIDIGFW-SFHVURJKSA-N 0 3 423.340 5.176 50 0 HKAAHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022199745 558466375 /nfs/dbraw/zinc/46/63/75/558466375.db2.gz BLTJNQXEIDIGFW-GOSISDBHSA-N 0 3 423.340 5.176 50 0 HKAAHN c1[nH]c2ccccc2c1CCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000022205216 558466550 /nfs/dbraw/zinc/46/65/50/558466550.db2.gz MXECCMWWXQDAGI-UHFFFAOYSA-N 0 3 402.541 6.292 50 0 HKAAHN O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000022238492 558471493 /nfs/dbraw/zinc/47/14/93/558471493.db2.gz HVPCAIYDAACCPU-UHFFFAOYSA-N 0 3 410.439 5.516 50 0 HKAAHN Cc1ccc(CN2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000022241712 558471740 /nfs/dbraw/zinc/47/17/40/558471740.db2.gz HEQOAWDOMMJVNG-UHFFFAOYSA-N 0 3 416.565 5.138 50 0 HKAAHN Cc1cn(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022454841 558490255 /nfs/dbraw/zinc/49/02/55/558490255.db2.gz YZMISAQUGOJTJU-UHFFFAOYSA-N 0 3 423.604 5.747 50 0 HKAAHN c1[nH]c2ccccc2c1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022454881 558490225 /nfs/dbraw/zinc/49/02/25/558490225.db2.gz RNSSHWWJDFKKNX-UHFFFAOYSA-N 0 3 409.577 5.508 50 0 biogenic HKAAHN Cc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454886 558490259 /nfs/dbraw/zinc/49/02/59/558490259.db2.gz ZKKRFYAEWBLTKZ-GDLZYMKVSA-N 0 3 423.604 5.816 50 0 biogenic HKAAHN Cc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454890 558490276 /nfs/dbraw/zinc/49/02/76/558490276.db2.gz ZKKRFYAEWBLTKZ-LJAQVGFWSA-N 0 3 423.604 5.816 50 0 biogenic HKAAHN CN1CCN(CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 ZINC000022459472 558490530 /nfs/dbraw/zinc/49/05/30/558490530.db2.gz VLFRFTIUJYIZDW-VWLOTQADSA-N 0 3 416.565 5.023 50 0 HKAAHN CN1CCN(CC[C@@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 ZINC000022459478 558490402 /nfs/dbraw/zinc/49/04/02/558490402.db2.gz VLFRFTIUJYIZDW-RUZDIDTESA-N 0 3 416.565 5.023 50 0 HKAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1SCc1ccsc1 ZINC000022463725 558490952 /nfs/dbraw/zinc/49/09/52/558490952.db2.gz RRBKMLQEXBLLAY-JOCHJYFZSA-N 0 3 422.619 5.607 50 0 HKAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1SCc1ccsc1 ZINC000022463731 558490934 /nfs/dbraw/zinc/49/09/34/558490934.db2.gz RRBKMLQEXBLLAY-QFIPXVFZSA-N 0 3 422.619 5.607 50 0 HKAAHN Brc1ccccc1CN1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022657479 557674505 /nfs/dbraw/zinc/67/45/05/557674505.db2.gz IXIOSHOQUVKRFL-UHFFFAOYSA-N 0 3 409.371 5.695 50 0 HKAAHN COc1cc(CN2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc(OC)c1 ZINC000022670104 557736005 /nfs/dbraw/zinc/73/60/05/557736005.db2.gz XNFQKYITDDLWQV-UHFFFAOYSA-N 0 3 401.550 5.826 50 0 HKAAHN CC1CCN([C@@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1 ZINC000022681570 557765552 /nfs/dbraw/zinc/76/55/52/557765552.db2.gz XCNOZYCBZSEIMC-INIZCTEOSA-N 0 3 410.555 5.266 50 0 HKAAHN CC1CCN([C@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1 ZINC000022681573 568497357 /nfs/dbraw/zinc/49/73/57/568497357.db2.gz XCNOZYCBZSEIMC-MRXNPFEDSA-N 0 3 410.555 5.266 50 0 HKAAHN CN(C)[C@@H](CNCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000022786052 568499658 /nfs/dbraw/zinc/49/96/58/568499658.db2.gz NDHRTFWFCAMKAR-QHCPKHFHSA-N 0 3 416.594 5.052 50 0 HKAAHN CN(C)[C@H](CNCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000022786058 568499655 /nfs/dbraw/zinc/49/96/55/568499655.db2.gz NDHRTFWFCAMKAR-HSZRJFAPSA-N 0 3 416.594 5.052 50 0 HKAAHN O=C(Nc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000022787337 557820576 /nfs/dbraw/zinc/82/05/76/557820576.db2.gz CFLBFGKEICIKPG-QFIPXVFZSA-N 0 3 423.944 5.112 50 0 HKAAHN O=C(Nc1cccc(CNC[C@H](c2ccco2)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000022787341 557820581 /nfs/dbraw/zinc/82/05/81/557820581.db2.gz CFLBFGKEICIKPG-JOCHJYFZSA-N 0 3 423.944 5.112 50 0 HKAAHN O=C(Nc1cccc(CNC[C@H](c2ccco2)N2CCCC2)c1)c1ccccc1Cl ZINC000022933775 558525573 /nfs/dbraw/zinc/52/55/73/558525573.db2.gz JUNMYIMKZXUOPB-JOCHJYFZSA-N 0 3 423.944 5.112 50 0 HKAAHN O=C(Nc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1)c1ccccc1Cl ZINC000022933778 558525509 /nfs/dbraw/zinc/52/55/09/558525509.db2.gz JUNMYIMKZXUOPB-QFIPXVFZSA-N 0 3 423.944 5.112 50 0 HKAAHN c1coc([C@H](CNCc2cn(-c3ccccc3)nc2-c2cccs2)N2CCCC2)c1 ZINC000023247698 559065494 /nfs/dbraw/zinc/06/54/94/559065494.db2.gz ZENBZQRQFDTVAQ-NRFANRHFSA-N 0 3 418.566 5.121 50 0 HKAAHN c1coc([C@@H](CNCc2cn(-c3ccccc3)nc2-c2cccs2)N2CCCC2)c1 ZINC000023247699 559065483 /nfs/dbraw/zinc/06/54/83/559065483.db2.gz ZENBZQRQFDTVAQ-OAQYLSRUSA-N 0 3 418.566 5.121 50 0 HKAAHN Clc1ccc(-c2nc(CNC[C@H](c3cccs3)N3CCCC3)cs2)cc1 ZINC000023257858 558546618 /nfs/dbraw/zinc/54/66/18/558546618.db2.gz RCZIKTKMVRZOCE-GOSISDBHSA-N 0 3 404.004 5.452 50 0 HKAAHN Clc1ccc(-c2nc(CNC[C@@H](c3cccs3)N3CCCC3)cs2)cc1 ZINC000023257861 558546629 /nfs/dbraw/zinc/54/66/29/558546629.db2.gz RCZIKTKMVRZOCE-SFHVURJKSA-N 0 3 404.004 5.452 50 0 HKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023446460 559175277 /nfs/dbraw/zinc/17/52/77/559175277.db2.gz OQGLNSAINKEZGU-JOCHJYFZSA-N 0 3 424.548 5.111 50 0 HKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023446460 559175279 /nfs/dbraw/zinc/17/52/79/559175279.db2.gz OQGLNSAINKEZGU-JOCHJYFZSA-N 0 3 424.548 5.111 50 0 HKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023446462 559175329 /nfs/dbraw/zinc/17/53/29/559175329.db2.gz OQGLNSAINKEZGU-QFIPXVFZSA-N 0 3 424.548 5.111 50 0 HKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023446462 559175331 /nfs/dbraw/zinc/17/53/31/559175331.db2.gz OQGLNSAINKEZGU-QFIPXVFZSA-N 0 3 424.548 5.111 50 0 HKAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C2SCCCS2)cc1 ZINC000023739396 558572615 /nfs/dbraw/zinc/57/26/15/558572615.db2.gz DMKFZTUMLNAPKB-OAQYLSRUSA-N 0 3 412.624 5.122 50 0 HKAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C2SCCCS2)cc1 ZINC000023739400 558572674 /nfs/dbraw/zinc/57/26/74/558572674.db2.gz DMKFZTUMLNAPKB-NRFANRHFSA-N 0 3 412.624 5.122 50 0 HKAAHN C[C@@H](NCCc1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023882528 558580129 /nfs/dbraw/zinc/58/01/29/558580129.db2.gz JUUMETXDVKVNKK-CQSZACIVSA-N 0 3 409.942 5.198 50 0 HKAAHN C[C@H](NCCc1ccc(Cl)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023882532 558580010 /nfs/dbraw/zinc/58/00/10/558580010.db2.gz JUUMETXDVKVNKK-AWEZNQCLSA-N 0 3 409.942 5.198 50 0 HKAAHN O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000023957063 559186445 /nfs/dbraw/zinc/18/64/45/559186445.db2.gz DIBYVCTXLCRNOC-MHZLTWQESA-N 0 3 423.560 5.478 50 0 HKAAHN O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000023957066 559186461 /nfs/dbraw/zinc/18/64/61/559186461.db2.gz DIBYVCTXLCRNOC-HHHXNRCGSA-N 0 3 423.560 5.478 50 0 HKAAHN O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccc1CN1CCCC1)c1ccccc1 ZINC000023968027 526581731 /nfs/dbraw/zinc/58/17/31/526581731.db2.gz OETZGQLGDLCTNX-MHZLTWQESA-N 0 3 423.560 5.478 50 0 HKAAHN O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1CN1CCCC1)c1ccccc1 ZINC000023968029 526581008 /nfs/dbraw/zinc/58/10/08/526581008.db2.gz OETZGQLGDLCTNX-HHHXNRCGSA-N 0 3 423.560 5.478 50 0 HKAAHN COc1cccc([C@@H]2CN[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982842 558583268 /nfs/dbraw/zinc/58/32/68/558583268.db2.gz DZUAOPYJKPTDSH-CVDCTZTESA-N 0 3 418.924 5.663 50 0 HKAAHN COc1cccc([C@H]2CN[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982845 558583285 /nfs/dbraw/zinc/58/32/85/558583285.db2.gz DZUAOPYJKPTDSH-XXBNENTESA-N 0 3 418.924 5.663 50 0 HKAAHN COc1cccc([C@@H]2CN[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982848 558583281 /nfs/dbraw/zinc/58/32/81/558583281.db2.gz DZUAOPYJKPTDSH-WMZHIEFXSA-N 0 3 418.924 5.663 50 0 HKAAHN COc1cccc([C@H]2CN[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000023982850 558583332 /nfs/dbraw/zinc/58/33/32/558583332.db2.gz DZUAOPYJKPTDSH-AUSIDOKSSA-N 0 3 418.924 5.663 50 0 HKAAHN Oc1ccc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204151 558591902 /nfs/dbraw/zinc/59/19/02/558591902.db2.gz HEAUFHQJFJNIJJ-AVRDEDQJSA-N 0 3 409.316 6.005 50 0 HKAAHN Oc1ccc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204156 558591874 /nfs/dbraw/zinc/59/18/74/558591874.db2.gz HEAUFHQJFJNIJJ-PGRDOPGGSA-N 0 3 409.316 6.005 50 0 HKAAHN Oc1ccc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204162 558591954 /nfs/dbraw/zinc/59/19/54/558591954.db2.gz HEAUFHQJFJNIJJ-GCJKJVERSA-N 0 3 409.316 6.005 50 0 HKAAHN Oc1ccc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000024204169 558591932 /nfs/dbraw/zinc/59/19/32/558591932.db2.gz HEAUFHQJFJNIJJ-XMSQKQJNSA-N 0 3 409.316 6.005 50 0 HKAAHN COc1ccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334915 558595102 /nfs/dbraw/zinc/59/51/02/558595102.db2.gz FUOOGJQRZOPVRP-UUOWRZLLSA-N 0 3 418.924 5.663 50 0 HKAAHN COc1ccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334921 558595079 /nfs/dbraw/zinc/59/50/79/558595079.db2.gz FUOOGJQRZOPVRP-MHECFPHRSA-N 0 3 418.924 5.663 50 0 HKAAHN COc1ccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334926 558595068 /nfs/dbraw/zinc/59/50/68/558595068.db2.gz FUOOGJQRZOPVRP-KOSHJBKYSA-N 0 3 418.924 5.663 50 0 HKAAHN COc1ccc([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1OC ZINC000024334932 558595116 /nfs/dbraw/zinc/59/51/16/558595116.db2.gz FUOOGJQRZOPVRP-HOYKHHGWSA-N 0 3 418.924 5.663 50 0 HKAAHN CN(C)[C@@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 ZINC000024981541 558624358 /nfs/dbraw/zinc/62/43/58/558624358.db2.gz FUWTXGAZVFQWAD-IBGZPJMESA-N 0 3 408.596 5.055 50 0 HKAAHN CN(C)[C@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 ZINC000024981551 558624375 /nfs/dbraw/zinc/62/43/75/558624375.db2.gz FUWTXGAZVFQWAD-LJQANCHMSA-N 0 3 408.596 5.055 50 0 HKAAHN CCN1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)c(C)c2)CC1 ZINC000025185289 558634235 /nfs/dbraw/zinc/63/42/35/558634235.db2.gz BZOIFJPPKDHEKB-UHFFFAOYSA-N 0 3 419.594 5.021 50 0 HKAAHN CC(C)(C)c1ccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461385 558641707 /nfs/dbraw/zinc/64/17/07/558641707.db2.gz UGXNYROYRGWPQA-OFVILXPXSA-N 0 3 414.980 6.943 50 0 HKAAHN CC(C)(C)c1ccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461391 558641696 /nfs/dbraw/zinc/64/16/96/558641696.db2.gz UGXNYROYRGWPQA-SQJMNOBHSA-N 0 3 414.980 6.943 50 0 HKAAHN CC(C)(C)c1ccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461395 558641719 /nfs/dbraw/zinc/64/17/19/558641719.db2.gz UGXNYROYRGWPQA-BWKNWUBXSA-N 0 3 414.980 6.943 50 0 HKAAHN CC(C)(C)c1ccc([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025461401 558641750 /nfs/dbraw/zinc/64/17/50/558641750.db2.gz UGXNYROYRGWPQA-PXDATVDWSA-N 0 3 414.980 6.943 50 0 HKAAHN Fc1ccc(-c2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2)c(F)c1 ZINC000025560900 558643845 /nfs/dbraw/zinc/64/38/45/558643845.db2.gz IKXMXINSIHVUOC-UHFFFAOYSA-N 0 3 422.519 5.219 50 0 HKAAHN CN(C)[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000025712375 568910749 /nfs/dbraw/zinc/91/07/49/568910749.db2.gz MDOKFBOHQKGIFR-QHCPKHFHSA-N 0 3 411.505 5.041 50 0 HKAAHN CN(C)[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000025712381 568910791 /nfs/dbraw/zinc/91/07/91/568910791.db2.gz MDOKFBOHQKGIFR-HSZRJFAPSA-N 0 3 411.505 5.041 50 0 HKAAHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000025946899 558652573 /nfs/dbraw/zinc/65/25/73/558652573.db2.gz YGQFXLCWAZLILP-UHFFFAOYSA-N 0 3 412.533 5.277 50 0 HKAAHN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1OC ZINC000026771596 569357665 /nfs/dbraw/zinc/35/76/65/569357665.db2.gz KLLUXTMIHCIHJO-MPLKVVTOSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1OC ZINC000026771598 569357672 /nfs/dbraw/zinc/35/76/72/569357672.db2.gz KLLUXTMIHCIHJO-AJUBDXFTSA-N 0 3 407.554 5.085 50 0 biogenic HKAAHN O=C(Nc1ccccc1O)C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000027373955 558672688 /nfs/dbraw/zinc/67/26/88/558672688.db2.gz RYQMTNHKGKRQDW-UHFFFAOYSA-N 0 3 400.931 5.111 50 0 HKAAHN O=C(OCCN1CCCCC1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000027489412 569325242 /nfs/dbraw/zinc/32/52/42/569325242.db2.gz PBBHNJMXINMWFV-UHFFFAOYSA-N 0 3 408.325 5.215 50 0 HKAAHN O[C@@H](CNC(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000027489723 558673513 /nfs/dbraw/zinc/67/35/13/558673513.db2.gz KGXHHWMYGHWQMS-QHCPKHFHSA-N 0 3 406.529 5.535 50 0 HKAAHN O[C@H](CNC(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000027489726 558673466 /nfs/dbraw/zinc/67/34/66/558673466.db2.gz KGXHHWMYGHWQMS-HSZRJFAPSA-N 0 3 406.529 5.535 50 0 HKAAHN Cc1cc2oc(=O)cc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)c2cc1C ZINC000027574324 558675361 /nfs/dbraw/zinc/67/53/61/558675361.db2.gz RQCMTJODNPKZLP-UHFFFAOYSA-N 0 3 405.494 5.083 50 0 HKAAHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027581909 558676006 /nfs/dbraw/zinc/67/60/06/558676006.db2.gz GSWJYYXOSOTTKA-JOCHJYFZSA-N 0 3 408.517 5.536 50 0 HKAAHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027581916 558676001 /nfs/dbraw/zinc/67/60/01/558676001.db2.gz GSWJYYXOSOTTKA-QFIPXVFZSA-N 0 3 408.517 5.536 50 0 HKAAHN COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc1Cl ZINC000027584043 558676097 /nfs/dbraw/zinc/67/60/97/558676097.db2.gz MKSBZNBGOHQRDA-OAQYLSRUSA-N 0 3 400.950 5.004 50 0 HKAAHN COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1Cl ZINC000027584049 558676349 /nfs/dbraw/zinc/67/63/49/558676349.db2.gz MKSBZNBGOHQRDA-NRFANRHFSA-N 0 3 400.950 5.004 50 0 HKAAHN Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCCCC2)cc1 ZINC000027584081 558676452 /nfs/dbraw/zinc/67/64/52/558676452.db2.gz SOCGWJRSOLKLDT-HSZRJFAPSA-N 0 3 414.977 5.069 50 0 HKAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCCCC2)cc1 ZINC000027584086 558676490 /nfs/dbraw/zinc/67/64/90/558676490.db2.gz SOCGWJRSOLKLDT-QHCPKHFHSA-N 0 3 414.977 5.069 50 0 HKAAHN CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027584244 558676407 /nfs/dbraw/zinc/67/64/07/558676407.db2.gz NDMZPSYSJZMXGZ-OAQYLSRUSA-N 0 3 400.588 5.130 50 0 HKAAHN CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027584247 558676483 /nfs/dbraw/zinc/67/64/83/558676483.db2.gz NDMZPSYSJZMXGZ-NRFANRHFSA-N 0 3 400.588 5.130 50 0 HKAAHN CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027662470 558678232 /nfs/dbraw/zinc/67/82/32/558678232.db2.gz KQORUJZUJFUQAD-HXUWFJFHSA-N 0 3 400.588 5.274 50 0 HKAAHN CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662472 558678266 /nfs/dbraw/zinc/67/82/66/558678266.db2.gz KQORUJZUJFUQAD-FQEVSTJZSA-N 0 3 400.588 5.274 50 0 HKAAHN CCCCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 ZINC000027662489 558678238 /nfs/dbraw/zinc/67/82/38/558678238.db2.gz ISLPUNOKVPIOTD-OAQYLSRUSA-N 0 3 400.588 5.274 50 0 HKAAHN CCCCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 ZINC000027662491 558678131 /nfs/dbraw/zinc/67/81/31/558678131.db2.gz ISLPUNOKVPIOTD-NRFANRHFSA-N 0 3 400.588 5.274 50 0 HKAAHN Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 ZINC000027662497 558678183 /nfs/dbraw/zinc/67/81/83/558678183.db2.gz DYSXXQDPOZONJJ-OAQYLSRUSA-N 0 3 414.615 5.292 50 0 HKAAHN Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 ZINC000027662499 558678125 /nfs/dbraw/zinc/67/81/25/558678125.db2.gz DYSXXQDPOZONJJ-NRFANRHFSA-N 0 3 414.615 5.292 50 0 HKAAHN Cc1cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc(C)c1Cl ZINC000027662519 558678363 /nfs/dbraw/zinc/67/83/63/558678363.db2.gz HHYOPSDDNXRNIR-LJQANCHMSA-N 0 3 421.006 5.131 50 0 HKAAHN Cc1cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc(C)c1Cl ZINC000027662521 558678405 /nfs/dbraw/zinc/67/84/05/558678405.db2.gz HHYOPSDDNXRNIR-IBGZPJMESA-N 0 3 421.006 5.131 50 0 HKAAHN CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662542 558678388 /nfs/dbraw/zinc/67/83/88/558678388.db2.gz JUVRNWGJFHNPOV-OAQYLSRUSA-N 0 3 400.588 5.274 50 0 HKAAHN CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662544 558678454 /nfs/dbraw/zinc/67/84/54/558678454.db2.gz JUVRNWGJFHNPOV-NRFANRHFSA-N 0 3 400.588 5.274 50 0 HKAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027662759 558678374 /nfs/dbraw/zinc/67/83/74/558678374.db2.gz SKBHIUQZYBUXFV-HSZRJFAPSA-N 0 3 418.606 5.614 50 0 HKAAHN O=C(NC[C@@H](c1cccs1)N1CCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027662761 558678448 /nfs/dbraw/zinc/67/84/48/558678448.db2.gz SKBHIUQZYBUXFV-QHCPKHFHSA-N 0 3 418.606 5.614 50 0 HKAAHN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027663599 558678949 /nfs/dbraw/zinc/67/89/49/558678949.db2.gz GALJJOHHMGHLAP-JOCHJYFZSA-N 0 3 424.972 6.050 50 0 HKAAHN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027663600 558678986 /nfs/dbraw/zinc/67/89/86/558678986.db2.gz GALJJOHHMGHLAP-QFIPXVFZSA-N 0 3 424.972 6.050 50 0 HKAAHN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027663615 558678991 /nfs/dbraw/zinc/67/89/91/558678991.db2.gz PXPUWRAFAHWZMA-GOSISDBHSA-N 0 3 416.974 5.803 50 0 HKAAHN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027663617 558678959 /nfs/dbraw/zinc/67/89/59/558678959.db2.gz PXPUWRAFAHWZMA-SFHVURJKSA-N 0 3 416.974 5.803 50 0 HKAAHN O=C(NC[C@H](c1cccs1)N1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027663926 558679272 /nfs/dbraw/zinc/67/92/72/558679272.db2.gz QXHDVEZYDMUOHQ-JOCHJYFZSA-N 0 3 404.579 5.223 50 0 HKAAHN O=C(NC[C@@H](c1cccs1)N1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000027663927 558679198 /nfs/dbraw/zinc/67/91/98/558679198.db2.gz QXHDVEZYDMUOHQ-QFIPXVFZSA-N 0 3 404.579 5.223 50 0 HKAAHN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCCCCC2)cc1 ZINC000027795378 558683207 /nfs/dbraw/zinc/68/32/07/558683207.db2.gz WKPDUPIFYODMQF-OAQYLSRUSA-N 0 3 415.375 5.105 50 0 HKAAHN Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCCCC2)cc1 ZINC000027795381 558683223 /nfs/dbraw/zinc/68/32/23/558683223.db2.gz WKPDUPIFYODMQF-NRFANRHFSA-N 0 3 415.375 5.105 50 0 HKAAHN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027993391 558688811 /nfs/dbraw/zinc/68/88/11/558688811.db2.gz UNCUOTMQCPZZKO-LJQANCHMSA-N 0 3 410.583 5.767 50 0 HKAAHN Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027993397 558688734 /nfs/dbraw/zinc/68/87/34/558688734.db2.gz UNCUOTMQCPZZKO-IBGZPJMESA-N 0 3 410.583 5.767 50 0 HKAAHN Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027994048 558688996 /nfs/dbraw/zinc/68/89/96/558688996.db2.gz OQNJURCBAIBLKY-HSZRJFAPSA-N 0 3 418.581 6.014 50 0 HKAAHN Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)oc2cc(C)cc(C)c12 ZINC000027994051 558689013 /nfs/dbraw/zinc/68/90/13/558689013.db2.gz OQNJURCBAIBLKY-QHCPKHFHSA-N 0 3 418.581 6.014 50 0 HKAAHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000028286720 558694194 /nfs/dbraw/zinc/69/41/94/558694194.db2.gz NXGWCCAYMXCFLG-GOSISDBHSA-N 0 3 400.519 5.289 50 0 HKAAHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000028286722 558694241 /nfs/dbraw/zinc/69/42/41/558694241.db2.gz NXGWCCAYMXCFLG-SFHVURJKSA-N 0 3 400.519 5.289 50 0 HKAAHN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000028287047 558694395 /nfs/dbraw/zinc/69/43/95/558694395.db2.gz RDNJUWCJUFRNLV-HXUWFJFHSA-N 0 3 410.583 5.767 50 0 HKAAHN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000028287050 558694423 /nfs/dbraw/zinc/69/44/23/558694423.db2.gz RDNJUWCJUFRNLV-FQEVSTJZSA-N 0 3 410.583 5.767 50 0 HKAAHN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000028287353 558694707 /nfs/dbraw/zinc/69/47/07/558694707.db2.gz KWFFYUGFQMTJHB-XMMPIXPASA-N 0 3 418.581 6.014 50 0 HKAAHN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000028287356 558694794 /nfs/dbraw/zinc/69/47/94/558694794.db2.gz KWFFYUGFQMTJHB-DEOSSOPVSA-N 0 3 418.581 6.014 50 0 HKAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000028287588 558694988 /nfs/dbraw/zinc/69/49/88/558694988.db2.gz XIRJHQQMUKCETD-HSZRJFAPSA-N 0 3 404.554 5.705 50 0 HKAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000028287590 558694861 /nfs/dbraw/zinc/69/48/61/558694861.db2.gz XIRJHQQMUKCETD-QHCPKHFHSA-N 0 3 404.554 5.705 50 0 HKAAHN CC(C)COc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288668 558695542 /nfs/dbraw/zinc/69/55/42/558695542.db2.gz NVZRLHHXYUJGPJ-RUZDIDTESA-N 0 3 422.613 5.586 50 0 HKAAHN CC(C)COc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288669 558695527 /nfs/dbraw/zinc/69/55/27/558695527.db2.gz NVZRLHHXYUJGPJ-VWLOTQADSA-N 0 3 422.613 5.586 50 0 HKAAHN CCCOc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 ZINC000028288671 558695608 /nfs/dbraw/zinc/69/56/08/558695608.db2.gz ZDESBJUNWQOBIY-XMMPIXPASA-N 0 3 408.586 5.340 50 0 HKAAHN CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 ZINC000028288673 558695613 /nfs/dbraw/zinc/69/56/13/558695613.db2.gz ZDESBJUNWQOBIY-DEOSSOPVSA-N 0 3 408.586 5.340 50 0 HKAAHN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288675 558695495 /nfs/dbraw/zinc/69/54/95/558695495.db2.gz ZOJGJASRLKFFDO-XMMPIXPASA-N 0 3 408.586 5.338 50 0 HKAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288677 558695512 /nfs/dbraw/zinc/69/55/12/558695512.db2.gz ZOJGJASRLKFFDO-DEOSSOPVSA-N 0 3 408.586 5.338 50 0 HKAAHN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028288679 558695603 /nfs/dbraw/zinc/69/56/03/558695603.db2.gz JCECYPCEJQZRCP-HSZRJFAPSA-N 0 3 408.586 5.340 50 0 HKAAHN CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028288681 558695598 /nfs/dbraw/zinc/69/55/98/558695598.db2.gz JCECYPCEJQZRCP-QHCPKHFHSA-N 0 3 408.586 5.340 50 0 HKAAHN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288683 558695506 /nfs/dbraw/zinc/69/55/06/558695506.db2.gz BTNZVKYSRIXTKL-XMMPIXPASA-N 0 3 406.614 5.849 50 0 HKAAHN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 ZINC000028288686 558695576 /nfs/dbraw/zinc/69/55/76/558695576.db2.gz BTNZVKYSRIXTKL-DEOSSOPVSA-N 0 3 406.614 5.849 50 0 HKAAHN Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)oc2cc(C)cc(C)c12 ZINC000028289685 558696289 /nfs/dbraw/zinc/69/62/89/558696289.db2.gz IGSYPSXCUACSBY-NRFANRHFSA-N 0 3 406.570 5.688 50 0 HKAAHN Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)oc2cc(C)cc(C)c12 ZINC000028289687 558696166 /nfs/dbraw/zinc/69/61/66/558696166.db2.gz IGSYPSXCUACSBY-OAQYLSRUSA-N 0 3 406.570 5.688 50 0 HKAAHN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289704 558696176 /nfs/dbraw/zinc/69/61/76/558696176.db2.gz SBZIUGMNDVAUPG-QFIPXVFZSA-N 0 3 406.570 5.688 50 0 HKAAHN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289707 558696194 /nfs/dbraw/zinc/69/61/94/558696194.db2.gz SBZIUGMNDVAUPG-JOCHJYFZSA-N 0 3 406.570 5.688 50 0 HKAAHN CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)cc1 ZINC000028290562 558696913 /nfs/dbraw/zinc/69/69/13/558696913.db2.gz BUFXSSHAJDAMGC-DEOSSOPVSA-N 0 3 410.602 5.125 50 0 HKAAHN CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)cc1 ZINC000028290565 558697007 /nfs/dbraw/zinc/69/70/07/558697007.db2.gz BUFXSSHAJDAMGC-XMMPIXPASA-N 0 3 410.602 5.125 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000028290574 558696879 /nfs/dbraw/zinc/69/68/79/558696879.db2.gz JBQIQWFRCWDCQH-NRFANRHFSA-N 0 3 416.993 5.216 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000028290576 558696907 /nfs/dbraw/zinc/69/69/07/558696907.db2.gz JBQIQWFRCWDCQH-OAQYLSRUSA-N 0 3 416.993 5.216 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290590 558696977 /nfs/dbraw/zinc/69/69/77/558696977.db2.gz UCDKATAIKNUSKO-KAAOTHNJSA-N 0 3 408.586 5.205 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290593 558697013 /nfs/dbraw/zinc/69/70/13/558697013.db2.gz UCDKATAIKNUSKO-CNAUTRJHSA-N 0 3 408.586 5.205 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290602 558696989 /nfs/dbraw/zinc/69/69/89/558696989.db2.gz XHIWTVWRNROGJK-QFIPXVFZSA-N 0 3 416.993 5.216 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290605 558696973 /nfs/dbraw/zinc/69/69/73/558696973.db2.gz XHIWTVWRNROGJK-JOCHJYFZSA-N 0 3 416.993 5.216 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290625 558696983 /nfs/dbraw/zinc/69/69/83/558696983.db2.gz KBNWGGFMSJKKOX-FADXNGITSA-N 0 3 413.005 5.850 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290628 558696949 /nfs/dbraw/zinc/69/69/49/558696949.db2.gz KBNWGGFMSJKKOX-QPLBDWIMSA-N 0 3 413.005 5.850 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290630 558696897 /nfs/dbraw/zinc/69/68/97/558696897.db2.gz QMUSUQXJBKHAOH-DEOSSOPVSA-N 0 3 410.602 5.179 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000028290633 558696933 /nfs/dbraw/zinc/69/69/33/558696933.db2.gz QMUSUQXJBKHAOH-XMMPIXPASA-N 0 3 410.602 5.179 50 0 HKAAHN Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1C ZINC000028291822 558697913 /nfs/dbraw/zinc/69/79/13/558697913.db2.gz RTXNQNCQLBEKLO-XMMPIXPASA-N 0 3 408.586 5.149 50 0 HKAAHN Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1C ZINC000028291825 558697909 /nfs/dbraw/zinc/69/79/09/558697909.db2.gz RTXNQNCQLBEKLO-DEOSSOPVSA-N 0 3 408.586 5.149 50 0 HKAAHN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1 ZINC000028291834 558697892 /nfs/dbraw/zinc/69/78/92/558697892.db2.gz BJXMLFGHFJUXEK-XMMPIXPASA-N 0 3 408.586 5.556 50 0 HKAAHN CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCCCC1 ZINC000028291837 558697925 /nfs/dbraw/zinc/69/79/25/558697925.db2.gz BJXMLFGHFJUXEK-DEOSSOPVSA-N 0 3 408.586 5.556 50 0 HKAAHN CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000028291848 558697821 /nfs/dbraw/zinc/69/78/21/558697821.db2.gz LUZOUNAIIMSCRN-RUZDIDTESA-N 0 3 408.586 5.095 50 0 HKAAHN CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000028291851 558697930 /nfs/dbraw/zinc/69/79/30/558697930.db2.gz LUZOUNAIIMSCRN-VWLOTQADSA-N 0 3 408.586 5.095 50 0 HKAAHN Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1C ZINC000028291889 558697887 /nfs/dbraw/zinc/69/78/87/558697887.db2.gz PTZFSASKSGZEAE-RUZDIDTESA-N 0 3 408.586 5.149 50 0 HKAAHN Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1C ZINC000028291892 558697830 /nfs/dbraw/zinc/69/78/30/558697830.db2.gz PTZFSASKSGZEAE-VWLOTQADSA-N 0 3 408.586 5.149 50 0 HKAAHN CCCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000028292433 558698152 /nfs/dbraw/zinc/69/81/52/558698152.db2.gz WPWKJJDNOKWBJB-RUZDIDTESA-N 0 3 408.586 5.556 50 0 HKAAHN CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000028292435 558698042 /nfs/dbraw/zinc/69/80/42/558698042.db2.gz WPWKJJDNOKWBJB-VWLOTQADSA-N 0 3 408.586 5.556 50 0 HKAAHN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000028292437 558698024 /nfs/dbraw/zinc/69/80/24/558698024.db2.gz PCRQNFGPZIKIIN-RUZDIDTESA-N 0 3 408.586 5.554 50 0 HKAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000028292439 558698117 /nfs/dbraw/zinc/69/81/17/558698117.db2.gz PCRQNFGPZIKIIN-VWLOTQADSA-N 0 3 408.586 5.554 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1 ZINC000028292473 558698128 /nfs/dbraw/zinc/69/81/28/558698128.db2.gz PSTUQAHKISYVJY-SFHVURJKSA-N 0 3 400.975 5.676 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1 ZINC000028292475 558698167 /nfs/dbraw/zinc/69/81/67/558698167.db2.gz PSTUQAHKISYVJY-GOSISDBHSA-N 0 3 400.975 5.676 50 0 HKAAHN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 ZINC000028293408 558698552 /nfs/dbraw/zinc/69/85/52/558698552.db2.gz CMKQAMKKFCKWOA-XMMPIXPASA-N 0 3 422.613 5.730 50 0 HKAAHN CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 ZINC000028293412 558698459 /nfs/dbraw/zinc/69/84/59/558698459.db2.gz CMKQAMKKFCKWOA-DEOSSOPVSA-N 0 3 422.613 5.730 50 0 HKAAHN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 ZINC000028293427 558698600 /nfs/dbraw/zinc/69/86/00/558698600.db2.gz VDYCJCYDQUIJRP-RUZDIDTESA-N 0 3 422.613 5.728 50 0 HKAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 ZINC000028293430 558698474 /nfs/dbraw/zinc/69/84/74/558698474.db2.gz VDYCJCYDQUIJRP-VWLOTQADSA-N 0 3 422.613 5.728 50 0 HKAAHN CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(CC)cc1)N1CCCCC1 ZINC000028293438 558698582 /nfs/dbraw/zinc/69/85/82/558698582.db2.gz YMOPUNOMYAHZQT-XMMPIXPASA-N 0 3 408.586 5.385 50 0 HKAAHN CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(CC)cc1)N1CCCCC1 ZINC000028293441 558698524 /nfs/dbraw/zinc/69/85/24/558698524.db2.gz YMOPUNOMYAHZQT-DEOSSOPVSA-N 0 3 408.586 5.385 50 0 HKAAHN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000028293708 558698788 /nfs/dbraw/zinc/69/87/88/558698788.db2.gz VJRPKHBZGIOMGW-HXUWFJFHSA-N 0 3 410.583 5.767 50 0 HKAAHN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000028293711 558698735 /nfs/dbraw/zinc/69/87/35/558698735.db2.gz VJRPKHBZGIOMGW-FQEVSTJZSA-N 0 3 410.583 5.767 50 0 HKAAHN CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)c(C)c2c1 ZINC000028404591 558700224 /nfs/dbraw/zinc/70/02/24/558700224.db2.gz BKAMEASIJKXCMK-HXUWFJFHSA-N 0 3 410.583 5.712 50 0 HKAAHN CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)c(C)c2c1 ZINC000028404595 558700235 /nfs/dbraw/zinc/70/02/35/558700235.db2.gz BKAMEASIJKXCMK-FQEVSTJZSA-N 0 3 410.583 5.712 50 0 HKAAHN C[C@@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809552 558705031 /nfs/dbraw/zinc/70/50/31/558705031.db2.gz VTLDLHRLAVEIES-APWZRJJASA-N 0 3 414.534 5.762 50 0 HKAAHN C[C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809555 558705018 /nfs/dbraw/zinc/70/50/18/558705018.db2.gz VTLDLHRLAVEIES-LPHOPBHVSA-N 0 3 414.534 5.762 50 0 HKAAHN C[C@@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809558 558705083 /nfs/dbraw/zinc/70/50/83/558705083.db2.gz VTLDLHRLAVEIES-VQIMIIECSA-N 0 3 414.534 5.762 50 0 HKAAHN C[C@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1nnc(-c2cccs2)o1 ZINC000028809561 558705024 /nfs/dbraw/zinc/70/50/24/558705024.db2.gz VTLDLHRLAVEIES-QFBILLFUSA-N 0 3 414.534 5.762 50 0 HKAAHN O=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000028887745 568812381 /nfs/dbraw/zinc/81/23/81/568812381.db2.gz ZVJBYBAPBUCHQT-HNNXBMFYSA-N 0 3 413.370 5.065 50 0 HKAAHN O=C(CCN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000028887751 568812432 /nfs/dbraw/zinc/81/24/32/568812432.db2.gz ZVJBYBAPBUCHQT-OAHLLOKOSA-N 0 3 413.370 5.065 50 0 HKAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(SCc2cscn2)cc1 ZINC000029315919 558713253 /nfs/dbraw/zinc/71/32/53/558713253.db2.gz RZBBLYAPMVFSHK-JOCHJYFZSA-N 0 3 423.607 5.002 50 0 HKAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(SCc2cscn2)cc1 ZINC000029315925 558713140 /nfs/dbraw/zinc/71/31/40/558713140.db2.gz RZBBLYAPMVFSHK-QFIPXVFZSA-N 0 3 423.607 5.002 50 0 HKAAHN COc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N(C)C)cc1 ZINC000030020035 558726196 /nfs/dbraw/zinc/72/61/96/558726196.db2.gz HAIPBQNVVPZCMQ-MRXNPFEDSA-N 0 3 423.365 5.249 50 0 HKAAHN COc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N(C)C)cc1 ZINC000030020036 558726072 /nfs/dbraw/zinc/72/60/72/558726072.db2.gz HAIPBQNVVPZCMQ-INIZCTEOSA-N 0 3 423.365 5.249 50 0 HKAAHN COc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1cccnc1 ZINC000030543590 558732108 /nfs/dbraw/zinc/73/21/08/558732108.db2.gz QOQIKTFTFZOOAL-INIZCTEOSA-N 0 3 416.443 5.539 50 0 HKAAHN COc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1cccnc1 ZINC000030543593 558732224 /nfs/dbraw/zinc/73/22/24/558732224.db2.gz QOQIKTFTFZOOAL-MRXNPFEDSA-N 0 3 416.443 5.539 50 0 HKAAHN Clc1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)s1 ZINC000030913862 558744587 /nfs/dbraw/zinc/74/45/87/558744587.db2.gz IPRHTTSJGYKIAM-UHFFFAOYSA-N 0 3 412.002 5.014 50 0 HKAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2occc2-c2ccccc2)cc1 ZINC000031079562 568912479 /nfs/dbraw/zinc/91/24/79/568912479.db2.gz SXFWBLUFVVPKMO-UHFFFAOYSA-N 0 3 410.517 5.605 50 0 HKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000032089373 527530116 /nfs/dbraw/zinc/53/01/16/527530116.db2.gz GZTHZUIACYBHAJ-UHFFFAOYSA-N 0 3 423.560 5.084 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 ZINC000032622147 525725417 /nfs/dbraw/zinc/72/54/17/525725417.db2.gz ZIJHPYPEKLCUEU-XMMPIXPASA-N 0 3 417.553 5.306 50 0 HKAAHN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 ZINC000032622149 525724430 /nfs/dbraw/zinc/72/44/30/525724430.db2.gz ZIJHPYPEKLCUEU-DEOSSOPVSA-N 0 3 417.553 5.306 50 0 HKAAHN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)cc1 ZINC000032622187 524029762 /nfs/dbraw/zinc/02/97/62/524029762.db2.gz COPKJUHMOZUUAO-JOCHJYFZSA-N 0 3 423.944 5.124 50 0 HKAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)cc1 ZINC000032622190 524048877 /nfs/dbraw/zinc/04/88/77/524048877.db2.gz COPKJUHMOZUUAO-QFIPXVFZSA-N 0 3 423.944 5.124 50 0 HKAAHN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 ZINC000032623100 524029204 /nfs/dbraw/zinc/02/92/04/524029204.db2.gz XIMLNAAVEGHERU-XMMPIXPASA-N 0 3 417.553 5.088 50 0 HKAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 ZINC000032623102 524048663 /nfs/dbraw/zinc/04/86/63/524048663.db2.gz XIMLNAAVEGHERU-DEOSSOPVSA-N 0 3 417.553 5.088 50 0 HKAAHN Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCCC2)cc1 ZINC000032623489 525763208 /nfs/dbraw/zinc/76/32/08/525763208.db2.gz QCXLMNXGXCWJCZ-HXUWFJFHSA-N 0 3 409.555 5.059 50 0 HKAAHN Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCCC2)cc1 ZINC000032623491 525958424 /nfs/dbraw/zinc/95/84/24/525958424.db2.gz QCXLMNXGXCWJCZ-FQEVSTJZSA-N 0 3 409.555 5.059 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)C)cc1 ZINC000032624191 520836632 /nfs/dbraw/zinc/83/66/32/520836632.db2.gz IUVHGMTXLTVVJH-FQEVSTJZSA-N 0 3 411.571 5.339 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)C)cc1 ZINC000032624193 520866396 /nfs/dbraw/zinc/86/63/96/520866396.db2.gz IUVHGMTXLTVVJH-HXUWFJFHSA-N 0 3 411.571 5.339 50 0 HKAAHN Cc1ccc(-c2nnc([C@@H](C)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739729 525859583 /nfs/dbraw/zinc/85/95/83/525859583.db2.gz XYFRCCKMMPMNHM-XXBNENTESA-N 0 3 422.532 6.009 50 0 HKAAHN Cc1ccc(-c2nnc([C@H](C)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739730 525860666 /nfs/dbraw/zinc/86/06/66/525860666.db2.gz XYFRCCKMMPMNHM-CVDCTZTESA-N 0 3 422.532 6.009 50 0 HKAAHN Cc1ccc(-c2nnc([C@@H](C)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739731 525859562 /nfs/dbraw/zinc/85/95/62/525859562.db2.gz XYFRCCKMMPMNHM-AUSIDOKSSA-N 0 3 422.532 6.009 50 0 HKAAHN Cc1ccc(-c2nnc([C@H](C)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)o2)cc1 ZINC000032739732 525860642 /nfs/dbraw/zinc/86/06/42/525860642.db2.gz XYFRCCKMMPMNHM-WMZHIEFXSA-N 0 3 422.532 6.009 50 0 HKAAHN CCOc1ccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000032751343 520961672 /nfs/dbraw/zinc/96/16/72/520961672.db2.gz DBYYNULRJIGCTN-UHFFFAOYSA-N 0 3 401.510 5.041 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC000032819097 520837498 /nfs/dbraw/zinc/83/74/98/520837498.db2.gz TZIPNIJSUKGQND-NRFANRHFSA-N 0 3 414.640 5.368 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC000032819098 520866490 /nfs/dbraw/zinc/86/64/90/520866490.db2.gz TZIPNIJSUKGQND-OAQYLSRUSA-N 0 3 414.640 5.368 50 0 HKAAHN COc1ccc(CN(Cc2cc(=O)oc3c(C)cc(C)cc23)CC(C)C)cc1OC ZINC000033018769 558759997 /nfs/dbraw/zinc/75/99/97/558759997.db2.gz QJOTYYKEYCBFRB-UHFFFAOYSA-N 0 3 409.526 5.085 50 0 HKAAHN Cc1ccc(-c2cccc3c(C(=O)NCCN4CCCCCC4)cc(C)nc23)cc1 ZINC000033036956 525756164 /nfs/dbraw/zinc/75/61/64/525756164.db2.gz RQBGZXKCSFGNKZ-UHFFFAOYSA-N 0 3 401.554 5.124 50 0 HKAAHN Cc1ccc(-c2cccc3c(C(=O)NCCN(C)Cc4ccccc4)cc(C)nc23)cc1 ZINC000033036957 525757262 /nfs/dbraw/zinc/75/72/62/525757262.db2.gz SMNHBRUKGJNCRY-UHFFFAOYSA-N 0 3 423.560 5.380 50 0 HKAAHN Cc1ccc(-c2cccc3c(C(=O)NCCN4CCCC[C@H]4C)cc(C)nc23)cc1 ZINC000033036960 525757693 /nfs/dbraw/zinc/75/76/93/525757693.db2.gz VEEFGRIMSXSOBV-HXUWFJFHSA-N 0 3 401.554 5.123 50 0 HKAAHN Cc1ccc(-c2cccc3c(C(=O)NCCN4CCCC[C@@H]4C)cc(C)nc23)cc1 ZINC000033036962 525757772 /nfs/dbraw/zinc/75/77/72/525757772.db2.gz VEEFGRIMSXSOBV-FQEVSTJZSA-N 0 3 401.554 5.123 50 0 HKAAHN CC(C)CN(Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068904 558970647 /nfs/dbraw/zinc/97/06/47/558970647.db2.gz WBIPLWLSLKHSOR-UHFFFAOYSA-N 0 3 421.541 5.220 50 0 HKAAHN CCCN(Cc1ccc(C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068942 558978493 /nfs/dbraw/zinc/97/84/93/558978493.db2.gz MIEYUVDEGQFEKW-UHFFFAOYSA-N 0 3 403.551 5.144 50 0 HKAAHN Cc1ccc(CN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC(C)C)cc1 ZINC000033068946 558978463 /nfs/dbraw/zinc/97/84/63/558978463.db2.gz PBZUGMSLMNTPFE-UHFFFAOYSA-N 0 3 417.578 5.390 50 0 HKAAHN CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033069031 558982637 /nfs/dbraw/zinc/98/26/37/558982637.db2.gz HTYKXECGPOHLMN-UHFFFAOYSA-N 0 3 409.599 5.170 50 0 HKAAHN CC(C)CN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033069033 558982695 /nfs/dbraw/zinc/98/26/95/558982695.db2.gz MIOJTMKNGNMNKC-UHFFFAOYSA-N 0 3 423.626 5.416 50 0 HKAAHN COc1ccc(CN2CCCCC[C@@H]2c2cccs2)cc1COCC(F)(F)F ZINC000033087068 558760601 /nfs/dbraw/zinc/76/06/01/558760601.db2.gz WAGAMDJBTGTTLN-GOSISDBHSA-N 0 3 413.505 5.953 50 0 HKAAHN COc1ccc(CN2CCCCC[C@H]2c2cccs2)cc1COCC(F)(F)F ZINC000033087069 558760538 /nfs/dbraw/zinc/76/05/38/558760538.db2.gz WAGAMDJBTGTTLN-SFHVURJKSA-N 0 3 413.505 5.953 50 0 HKAAHN c1csc(-c2nn(-c3ccccc3)cc2CN2CCCCC[C@H]2c2cccs2)c1 ZINC000033087084 558760744 /nfs/dbraw/zinc/76/07/44/558760744.db2.gz XUOVWXFZIGSYOW-NRFANRHFSA-N 0 3 419.619 6.780 50 0 HKAAHN c1csc(-c2nn(-c3ccccc3)cc2CN2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087085 558760682 /nfs/dbraw/zinc/76/06/82/558760682.db2.gz XUOVWXFZIGSYOW-OAQYLSRUSA-N 0 3 419.619 6.780 50 0 HKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140141 558892237 /nfs/dbraw/zinc/89/22/37/558892237.db2.gz LQBBZUQICKZQFF-UHFFFAOYSA-N 0 3 421.544 5.296 50 0 HKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257728 558924453 /nfs/dbraw/zinc/92/44/53/558924453.db2.gz WJHNTUQNJDOUCI-UHFFFAOYSA-N 0 3 416.525 5.242 50 0 HKAAHN CC(C)CN(Cc1ccccc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268792 558992970 /nfs/dbraw/zinc/99/29/70/558992970.db2.gz JNWKQQGSNZCMFT-UHFFFAOYSA-N 0 3 403.551 5.081 50 0 HKAAHN CC(C)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000034024963 558772730 /nfs/dbraw/zinc/77/27/30/558772730.db2.gz IMTMMGXRAMGUDP-CDILPITASA-N 0 3 424.544 5.135 50 0 biogenic HKAAHN CC(C)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000034024965 558772622 /nfs/dbraw/zinc/77/26/22/558772622.db2.gz IMTMMGXRAMGUDP-FQJHJXCSSA-N 0 3 424.544 5.135 50 0 biogenic HKAAHN O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669591 557362720 /nfs/dbraw/zinc/36/27/20/557362720.db2.gz AKVXOEGJJITXDW-ILBGXUMGSA-N 0 3 402.513 5.095 50 0 HKAAHN O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669593 557362739 /nfs/dbraw/zinc/36/27/39/557362739.db2.gz AKVXOEGJJITXDW-UKILVPOCSA-N 0 3 402.513 5.095 50 0 HKAAHN O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669595 557362608 /nfs/dbraw/zinc/36/26/08/557362608.db2.gz AKVXOEGJJITXDW-NOZRDPDXSA-N 0 3 402.513 5.095 50 0 HKAAHN O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669599 557362748 /nfs/dbraw/zinc/36/27/48/557362748.db2.gz AKVXOEGJJITXDW-ZCYQVOJMSA-N 0 3 402.513 5.095 50 0 HKAAHN O=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669648 557362763 /nfs/dbraw/zinc/36/27/63/557362763.db2.gz LIWJIDCQTAQKBS-AOYPEHQESA-N 0 3 416.540 5.138 50 0 HKAAHN O=C(NCCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669650 557362598 /nfs/dbraw/zinc/36/25/98/557362598.db2.gz LIWJIDCQTAQKBS-AZGAKELHSA-N 0 3 416.540 5.138 50 0 HKAAHN O=C(NCCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669652 557362729 /nfs/dbraw/zinc/36/27/29/557362729.db2.gz LIWJIDCQTAQKBS-RSXGOPAZSA-N 0 3 416.540 5.138 50 0 HKAAHN O=C(NCCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669654 557362649 /nfs/dbraw/zinc/36/26/49/557362649.db2.gz LIWJIDCQTAQKBS-AHWVRZQESA-N 0 3 416.540 5.138 50 0 HKAAHN O=C(NCc1ccccc1F)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669712 557362660 /nfs/dbraw/zinc/36/26/60/557362660.db2.gz YIZVACURQJYMMC-DHLKQENFSA-N 0 3 420.503 5.235 50 0 HKAAHN O=C(NCc1ccccc1F)[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669714 557362580 /nfs/dbraw/zinc/36/25/80/557362580.db2.gz YIZVACURQJYMMC-WIOPSUGQSA-N 0 3 420.503 5.235 50 0 HKAAHN O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669717 557362881 /nfs/dbraw/zinc/36/28/81/557362881.db2.gz YIZVACURQJYMMC-RDGATRHJSA-N 0 3 420.503 5.235 50 0 HKAAHN O=C(NCc1ccccc1F)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669719 557362992 /nfs/dbraw/zinc/36/29/92/557362992.db2.gz YIZVACURQJYMMC-RCZVLFRGSA-N 0 3 420.503 5.235 50 0 HKAAHN CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669730 557363024 /nfs/dbraw/zinc/36/30/24/557363024.db2.gz WQLXOFWOZHNBQQ-AOYPEHQESA-N 0 3 416.540 5.438 50 0 HKAAHN CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669732 557362908 /nfs/dbraw/zinc/36/29/08/557362908.db2.gz WQLXOFWOZHNBQQ-AZGAKELHSA-N 0 3 416.540 5.438 50 0 HKAAHN CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669734 557363054 /nfs/dbraw/zinc/36/30/54/557363054.db2.gz WQLXOFWOZHNBQQ-RSXGOPAZSA-N 0 3 416.540 5.438 50 0 HKAAHN CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669736 557363046 /nfs/dbraw/zinc/36/30/46/557363046.db2.gz WQLXOFWOZHNBQQ-AHWVRZQESA-N 0 3 416.540 5.438 50 0 HKAAHN Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3cccs3)CC2)n1 ZINC000034675595 571316436 /nfs/dbraw/zinc/31/64/36/571316436.db2.gz COGSAFUMYQWQDX-UHFFFAOYSA-N 0 3 411.615 5.236 50 0 HKAAHN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)C4CCCC4)cn3)CC2)cc1 ZINC000034681739 557383597 /nfs/dbraw/zinc/38/35/97/557383597.db2.gz RKETUUBIFZCHKI-UHFFFAOYSA-N 0 3 420.601 5.046 50 0 HKAAHN CC(C)c1ccc(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)cc1 ZINC000034682499 557384364 /nfs/dbraw/zinc/38/43/64/557384364.db2.gz NLXFZSHFCDXKIA-UHFFFAOYSA-N 0 3 418.606 6.183 50 0 HKAAHN CC(C)CC(=O)N(c1ccccc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682511 557384346 /nfs/dbraw/zinc/38/43/46/557384346.db2.gz XKBPECMXCQCRNM-UHFFFAOYSA-N 0 3 418.503 5.749 50 0 HKAAHN CC(C)c1ccc(CN2CCC(N(C(=O)c3ccco3)c3ccc(F)cc3)CC2)cc1 ZINC000034682564 557384274 /nfs/dbraw/zinc/38/42/74/557384274.db2.gz ZMMIZXLEGFSAEZ-UHFFFAOYSA-N 0 3 420.528 5.854 50 0 HKAAHN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682571 557384403 /nfs/dbraw/zinc/38/44/03/557384403.db2.gz NZNXJBQWZMLIFO-UHFFFAOYSA-N 0 3 422.466 5.498 50 0 HKAAHN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682610 557384356 /nfs/dbraw/zinc/38/43/56/557384356.db2.gz VVMJWFFTCGWDRU-UHFFFAOYSA-N 0 3 410.577 5.993 50 0 HKAAHN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682612 557384204 /nfs/dbraw/zinc/38/42/04/557384204.db2.gz OJODRFZMRJNZCM-UHFFFAOYSA-N 0 3 408.439 5.252 50 0 HKAAHN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1 ZINC000034682677 557384572 /nfs/dbraw/zinc/38/45/72/557384572.db2.gz MWPOBFOPIPDOSD-UHFFFAOYSA-N 0 3 424.541 5.207 50 0 HKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034682686 557384608 /nfs/dbraw/zinc/38/46/08/557384608.db2.gz XUGJXBSRLGHMFV-UHFFFAOYSA-N 0 3 406.551 5.068 50 0 HKAAHN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034682694 557384624 /nfs/dbraw/zinc/38/46/24/557384624.db2.gz MODZXNSTRRLSFM-UHFFFAOYSA-N 0 3 420.578 5.377 50 0 HKAAHN Cc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1F ZINC000034682723 557384594 /nfs/dbraw/zinc/38/45/94/557384594.db2.gz DZIJAFJKOIDAAW-UHFFFAOYSA-N 0 3 410.577 5.911 50 0 HKAAHN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682746 557384619 /nfs/dbraw/zinc/38/46/19/557384619.db2.gz YLKZTNQPKYPXCS-UHFFFAOYSA-N 0 3 410.577 6.055 50 0 HKAAHN Cc1cccc(C(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034682750 557384579 /nfs/dbraw/zinc/38/45/79/557384579.db2.gz SZTCXRFXYPWCIM-UHFFFAOYSA-N 0 3 422.569 5.815 50 0 HKAAHN Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034682768 557384908 /nfs/dbraw/zinc/38/49/08/557384908.db2.gz XLBPDUZCHYVTCT-UHFFFAOYSA-N 0 3 408.542 5.507 50 0 HKAAHN CCC(=O)N(c1ccc(OC)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682794 571316372 /nfs/dbraw/zinc/31/63/72/571316372.db2.gz FWMDVQVSMSWILX-UHFFFAOYSA-N 0 3 420.475 5.122 50 0 HKAAHN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682812 557384900 /nfs/dbraw/zinc/38/49/00/557384900.db2.gz KSZJFZHUYZXGKE-UHFFFAOYSA-N 0 3 406.551 5.068 50 0 HKAAHN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682829 557384944 /nfs/dbraw/zinc/38/49/44/557384944.db2.gz TYMXZEMFSMFAIL-UHFFFAOYSA-N 0 3 420.578 5.377 50 0 HKAAHN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682898 557384951 /nfs/dbraw/zinc/38/49/51/557384951.db2.gz GQJAQRCLNOFEFF-UHFFFAOYSA-N 0 3 408.542 5.507 50 0 HKAAHN COc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682918 557384967 /nfs/dbraw/zinc/38/49/67/557384967.db2.gz GTZNQNZSTAJFJC-UHFFFAOYSA-N 0 3 420.578 5.377 50 0 HKAAHN Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682951 557385224 /nfs/dbraw/zinc/38/52/24/557385224.db2.gz XFMPDAPCJBOLIT-UHFFFAOYSA-N 0 3 404.579 5.676 50 0 HKAAHN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034683009 557385466 /nfs/dbraw/zinc/38/54/66/557385466.db2.gz PAWZAZJDUBWAME-UHFFFAOYSA-N 0 3 404.579 5.676 50 0 HKAAHN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034683058 557385447 /nfs/dbraw/zinc/38/54/47/557385447.db2.gz SGGZVAQAAHALDJ-UHFFFAOYSA-N 0 3 422.569 5.761 50 0 HKAAHN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034683091 557385811 /nfs/dbraw/zinc/38/58/11/557385811.db2.gz AARNBHQIORIZNA-UHFFFAOYSA-N 0 3 404.579 5.622 50 0 HKAAHN CCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034683107 557385852 /nfs/dbraw/zinc/38/58/52/557385852.db2.gz GKOGSGAIRPFRQJ-UHFFFAOYSA-N 0 3 406.614 6.170 50 0 HKAAHN COc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034683182 557385782 /nfs/dbraw/zinc/38/57/82/557385782.db2.gz NRWGQAKSNJVRBH-UHFFFAOYSA-N 0 3 422.613 5.862 50 0 HKAAHN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683185 557385902 /nfs/dbraw/zinc/38/59/02/557385902.db2.gz OSEPYSPHYHGLGR-UHFFFAOYSA-N 0 3 420.475 5.122 50 0 HKAAHN Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683279 557386241 /nfs/dbraw/zinc/38/62/41/557386241.db2.gz MAPFCPVLWCTQNZ-UHFFFAOYSA-N 0 3 402.538 5.516 50 0 HKAAHN Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683290 557386215 /nfs/dbraw/zinc/38/62/15/557386215.db2.gz AMXZXAAQXZWXOQ-UHFFFAOYSA-N 0 3 418.606 5.985 50 0 HKAAHN Cc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683368 557386175 /nfs/dbraw/zinc/38/61/75/557386175.db2.gz LAVQDLYKFWCGOH-UHFFFAOYSA-N 0 3 412.577 5.923 50 0 HKAAHN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683425 557386633 /nfs/dbraw/zinc/38/66/33/557386633.db2.gz HBERSHQNZCSUKW-UHFFFAOYSA-N 0 3 418.537 5.216 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1C ZINC000034683559 557386605 /nfs/dbraw/zinc/38/66/05/557386605.db2.gz VBJYSGLTMLCPKW-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccco3)c3ccc(C)c(F)c3)CC2)cc1C ZINC000034683623 557386795 /nfs/dbraw/zinc/38/67/95/557386795.db2.gz VQMGOOBKQJADQZ-UHFFFAOYSA-N 0 3 420.528 5.655 50 0 HKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698806 571316422 /nfs/dbraw/zinc/31/64/22/571316422.db2.gz VBFKWXPKINHAET-ZEQKJWHPSA-N 0 3 415.581 5.090 50 0 HKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698807 571316384 /nfs/dbraw/zinc/31/63/84/571316384.db2.gz VBFKWXPKINHAET-BVAGGSTKSA-N 0 3 415.581 5.090 50 0 HKAAHN Cc1cccc([C@@H]2C[C@H](C(=O)Nc3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000034711254 558783217 /nfs/dbraw/zinc/78/32/17/558783217.db2.gz PYQRRUDGNLTDAI-PKTZIBPZSA-N 0 3 402.513 5.379 50 0 HKAAHN Cc1cccc([C@H]2C[C@H](C(=O)Nc3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000034711255 558783313 /nfs/dbraw/zinc/78/33/13/558783313.db2.gz PYQRRUDGNLTDAI-GOTSBHOMSA-N 0 3 402.513 5.379 50 0 HKAAHN Cc1cccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000034711256 558783286 /nfs/dbraw/zinc/78/32/86/558783286.db2.gz PYQRRUDGNLTDAI-DHIUTWEWSA-N 0 3 402.513 5.379 50 0 HKAAHN Cc1cccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000034711257 558783265 /nfs/dbraw/zinc/78/32/65/558783265.db2.gz PYQRRUDGNLTDAI-XZOQPEGZSA-N 0 3 402.513 5.379 50 0 HKAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000034716679 558783298 /nfs/dbraw/zinc/78/32/98/558783298.db2.gz SDXUVDJSRWGKQT-DZFGPLHGSA-N 0 3 416.968 5.308 50 0 HKAAHN CC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000034716681 558783429 /nfs/dbraw/zinc/78/34/29/558783429.db2.gz SDXUVDJSRWGKQT-YYWHXJBOSA-N 0 3 416.968 5.308 50 0 HKAAHN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(Cc3cccs3)CC2)n1 ZINC000034726083 557442722 /nfs/dbraw/zinc/44/27/22/557442722.db2.gz BROVUDYWXCFEQT-UHFFFAOYSA-N 0 3 419.594 5.070 50 0 HKAAHN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(Cc3ccsc3)CC2)n1 ZINC000034726096 557442713 /nfs/dbraw/zinc/44/27/13/557442713.db2.gz JFBCUARLXIJPLZ-UHFFFAOYSA-N 0 3 419.594 5.070 50 0 HKAAHN Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccs3)CC2)cc1 ZINC000034726109 557442677 /nfs/dbraw/zinc/44/26/77/557442677.db2.gz XFMFWADIBFNYCK-UHFFFAOYSA-N 0 3 419.594 5.070 50 0 HKAAHN Fc1ccc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)c(Cl)c1 ZINC000034727225 557442926 /nfs/dbraw/zinc/44/29/26/557442926.db2.gz RMXDGSCQFJLUFQ-XMMPIXPASA-N 0 3 424.947 5.812 50 0 HKAAHN Fc1ccc(O[C@@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)c(Cl)c1 ZINC000034727229 132797125 /nfs/dbraw/zinc/79/71/25/132797125.db2.gz RMXDGSCQFJLUFQ-DEOSSOPVSA-N 0 3 424.947 5.812 50 0 HKAAHN COc1ccc([C@@H](CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)cc1 ZINC000034727458 557442957 /nfs/dbraw/zinc/44/29/57/557442957.db2.gz TUILKBTVTOUXOZ-AREMUKBSSA-N 0 3 420.528 5.167 50 0 HKAAHN COc1ccc([C@H](CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)cc1 ZINC000034727461 557442978 /nfs/dbraw/zinc/44/29/78/557442978.db2.gz TUILKBTVTOUXOZ-SANMLTNESA-N 0 3 420.528 5.167 50 0 HKAAHN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034729997 557432764 /nfs/dbraw/zinc/43/27/64/557432764.db2.gz YOSVXVZRBWLBQR-UHFFFAOYSA-N 0 3 423.576 5.219 50 0 HKAAHN Cc1cc(CN2CCC(c3nc(C)ccc3C(=O)NCC3CCCCC3)CC2)oc1C ZINC000034730003 557432847 /nfs/dbraw/zinc/43/28/47/557432847.db2.gz SDZDDTDYIXYFAC-UHFFFAOYSA-N 0 3 423.601 5.290 50 0 HKAAHN Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730200 557433095 /nfs/dbraw/zinc/43/30/95/557433095.db2.gz UBNVBWVYYRZBHH-UHFFFAOYSA-N 0 3 423.576 5.313 50 0 HKAAHN O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739886 571316586 /nfs/dbraw/zinc/31/65/86/571316586.db2.gz GIAOIYZPSRAQEV-ILBGXUMGSA-N 0 3 418.968 5.610 50 0 HKAAHN O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739887 571316567 /nfs/dbraw/zinc/31/65/67/571316567.db2.gz GIAOIYZPSRAQEV-UKILVPOCSA-N 0 3 418.968 5.610 50 0 HKAAHN O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739888 571316538 /nfs/dbraw/zinc/31/65/38/571316538.db2.gz GIAOIYZPSRAQEV-NOZRDPDXSA-N 0 3 418.968 5.610 50 0 HKAAHN O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739889 571316543 /nfs/dbraw/zinc/31/65/43/571316543.db2.gz GIAOIYZPSRAQEV-ZCYQVOJMSA-N 0 3 418.968 5.610 50 0 HKAAHN Cc1cc(O[C@@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)ccc1F ZINC000034740086 557443468 /nfs/dbraw/zinc/44/34/68/557443468.db2.gz XVKFUJVGVZIVKF-SANMLTNESA-N 0 3 404.529 5.467 50 0 HKAAHN Cc1cc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)ccc1F ZINC000034740087 557443437 /nfs/dbraw/zinc/44/34/37/557443437.db2.gz XVKFUJVGVZIVKF-AREMUKBSSA-N 0 3 404.529 5.467 50 0 HKAAHN CC(C)C(=O)N(C[C@@H]1CN(Cc2cccn2C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740674 557444015 /nfs/dbraw/zinc/44/40/15/557444015.db2.gz WFRIRJWMWLELPG-JYFHCDHNSA-N 0 3 421.629 5.058 50 0 HKAAHN CC(C)C(=O)N(C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740675 557444143 /nfs/dbraw/zinc/44/41/43/557444143.db2.gz WFRIRJWMWLELPG-ZEQKJWHPSA-N 0 3 421.629 5.058 50 0 HKAAHN Cc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(CC(C)C)CC3)cc1 ZINC000034755690 557458480 /nfs/dbraw/zinc/45/84/80/557458480.db2.gz HUWUGPUBTNWUBL-UHFFFAOYSA-N 0 3 416.569 5.228 50 0 HKAAHN C[C@@H]1CCCC[C@@H]1N[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000034867952 558785969 /nfs/dbraw/zinc/78/59/69/558785969.db2.gz KRKDELWOURNERO-UAOJZALGSA-N 0 3 424.894 6.207 50 0 HKAAHN C[C@@H]1CCCC[C@H]1N[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000034867956 558785922 /nfs/dbraw/zinc/78/59/22/558785922.db2.gz KRKDELWOURNERO-XMCHAPAWSA-N 0 3 424.894 6.207 50 0 HKAAHN COc1ccccc1-c1cccc(-c2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cs2)c1 ZINC000034899326 557481011 /nfs/dbraw/zinc/48/10/11/557481011.db2.gz BUVNTGRMEQPGFW-SIKLNZKXSA-N 0 3 418.606 6.498 50 0 HKAAHN CCCCc1nn2c(nc(CN(CCC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000035509826 569041790 /nfs/dbraw/zinc/04/17/90/569041790.db2.gz QCOWRGINRCXDGI-UHFFFAOYSA-N 0 3 412.603 5.029 50 0 HKAAHN COc1cccc([C@@H]2CN[C@@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729890 569053682 /nfs/dbraw/zinc/05/36/82/569053682.db2.gz WKSPXDADRMWNJM-CCLHPLFOSA-N 0 3 410.517 5.110 50 0 HKAAHN COc1cccc([C@H]2CN[C@@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729892 569053655 /nfs/dbraw/zinc/05/36/55/569053655.db2.gz WKSPXDADRMWNJM-NFQMXDRXSA-N 0 3 410.517 5.110 50 0 HKAAHN COc1cccc([C@@H]2CN[C@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729894 569053612 /nfs/dbraw/zinc/05/36/12/569053612.db2.gz WKSPXDADRMWNJM-DCFHFQCYSA-N 0 3 410.517 5.110 50 0 HKAAHN COc1cccc([C@H]2CN[C@]3(CCc4ccccc43)c3[nH]c4ccccc4c32)c1OC ZINC000035729895 569053624 /nfs/dbraw/zinc/05/36/24/569053624.db2.gz WKSPXDADRMWNJM-HRFSGMKKSA-N 0 3 410.517 5.110 50 0 HKAAHN CC(C)CCN(Cc1cccn1Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000035840621 569062303 /nfs/dbraw/zinc/06/23/03/569062303.db2.gz AEUHDFZCSNDVAS-RUZDIDTESA-N 0 3 408.561 5.127 50 0 HKAAHN CC(C)CCN(Cc1cccn1Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000035840623 569062276 /nfs/dbraw/zinc/06/22/76/569062276.db2.gz AEUHDFZCSNDVAS-VWLOTQADSA-N 0 3 408.561 5.127 50 0 HKAAHN Cc1ccccc1Cn1cccc1CN(CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000035840763 569062292 /nfs/dbraw/zinc/06/22/92/569062292.db2.gz SDGMQASAIFLLKD-SANMLTNESA-N 0 3 420.597 5.133 50 0 HKAAHN Cc1ccccc1Cn1cccc1CN(CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000035840765 569062327 /nfs/dbraw/zinc/06/23/27/569062327.db2.gz SDGMQASAIFLLKD-AREMUKBSSA-N 0 3 420.597 5.133 50 0 HKAAHN Cc1ccccc1Cn1cccc1CN(CCC(C)C)C[C@H](O)Cc1ccccc1 ZINC000035840771 569062338 /nfs/dbraw/zinc/06/23/38/569062338.db2.gz DEKKIIFJFXPDDR-HHHXNRCGSA-N 0 3 404.598 5.297 50 0 HKAAHN Cc1ccccc1Cn1cccc1CN(CCC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000035840773 569062323 /nfs/dbraw/zinc/06/23/23/569062323.db2.gz DEKKIIFJFXPDDR-MHZLTWQESA-N 0 3 404.598 5.297 50 0 HKAAHN COc1cccc(CN(Cc2cccn2Cc2ccccc2)CC2CCCCC2)c1 ZINC000035840982 569062389 /nfs/dbraw/zinc/06/23/89/569062389.db2.gz NHZUQDUOISDZGE-UHFFFAOYSA-N 0 3 402.582 6.128 50 0 HKAAHN COc1cccc(CN(Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000035840994 569062306 /nfs/dbraw/zinc/06/23/06/569062306.db2.gz DJIASDNFAKBLAK-UHFFFAOYSA-N 0 3 406.545 6.019 50 0 HKAAHN Cc1ccccc1CN(Cc1cccn1Cc1ccccc1F)CC1CCCCC1 ZINC000035841059 569062295 /nfs/dbraw/zinc/06/22/95/569062295.db2.gz AIPRYVNBKFECMV-UHFFFAOYSA-N 0 3 404.573 6.566 50 0 HKAAHN COc1cccc(CN(Cc2cccn2Cc2ccc(C)cc2)CC2CCCCC2)c1 ZINC000035841083 569062312 /nfs/dbraw/zinc/06/23/12/569062312.db2.gz XSSODQAYNCPTKI-UHFFFAOYSA-N 0 3 416.609 6.436 50 0 HKAAHN Cc1cccc(Cn2cccc2CN(Cc2ccccc2C)CC2CCCCC2)c1 ZINC000035841091 569062280 /nfs/dbraw/zinc/06/22/80/569062280.db2.gz ICLMPQXTBWNQNC-UHFFFAOYSA-N 0 3 400.610 6.736 50 0 HKAAHN COc1cccc(CN(Cc2cccn2Cc2ccccc2C)C2CCCCC2)c1 ZINC000035841098 569062382 /nfs/dbraw/zinc/06/23/82/569062382.db2.gz RQRRHVSFGFEIJS-UHFFFAOYSA-N 0 3 402.582 6.188 50 0 HKAAHN COc1cccc(CN(Cc2cccn2Cc2ccccc2C)CC2CCCCC2)c1 ZINC000035841114 569062376 /nfs/dbraw/zinc/06/23/76/569062376.db2.gz IMOGNNZIYNXLED-UHFFFAOYSA-N 0 3 416.609 6.436 50 0 HKAAHN COc1cccc(CN(CCC(C)C)Cc2cccn2Cc2cccc(OC)c2)c1 ZINC000035841125 569062370 /nfs/dbraw/zinc/06/23/70/569062370.db2.gz SEOIIIGBJXGGFB-UHFFFAOYSA-N 0 3 406.570 5.602 50 0 HKAAHN COc1cccc(Cn2cccc2CN(Cc2ccc(C)cc2)CC2CCCCC2)c1 ZINC000035841142 569062361 /nfs/dbraw/zinc/06/23/61/569062361.db2.gz BXOZRCBTLHSUIZ-UHFFFAOYSA-N 0 3 416.609 6.436 50 0 HKAAHN COc1cccc(Cn2cccc2CN(Cc2cccc(F)c2)CC2CCCCC2)c1 ZINC000035841146 569062351 /nfs/dbraw/zinc/06/23/51/569062351.db2.gz IMWTUUSOSYTPDD-UHFFFAOYSA-N 0 3 420.572 6.267 50 0 HKAAHN CC(C)CN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841151 569062309 /nfs/dbraw/zinc/06/23/09/569062309.db2.gz CFUBUECJKPOQCS-UHFFFAOYSA-N 0 3 418.478 6.353 50 0 HKAAHN CC(C)CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841194 569062386 /nfs/dbraw/zinc/06/23/86/569062386.db2.gz GOAQRKGSOONANL-UHFFFAOYSA-N 0 3 414.515 6.604 50 0 HKAAHN Cc1ccc(C)c(CN(CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843702 569062442 /nfs/dbraw/zinc/06/24/42/569062442.db2.gz QNGVOPFZLVEAFI-XMMPIXPASA-N 0 3 414.590 5.175 50 0 HKAAHN Cc1ccc(C)c(CN(CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843703 569062439 /nfs/dbraw/zinc/06/24/39/569062439.db2.gz QNGVOPFZLVEAFI-DEOSSOPVSA-N 0 3 414.590 5.175 50 0 HKAAHN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000035843708 569062453 /nfs/dbraw/zinc/06/24/53/569062453.db2.gz OKVHMRDWNGGPKH-XMMPIXPASA-N 0 3 414.590 5.319 50 0 HKAAHN CCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000035843709 569062397 /nfs/dbraw/zinc/06/23/97/569062397.db2.gz OKVHMRDWNGGPKH-DEOSSOPVSA-N 0 3 414.590 5.319 50 0 HKAAHN Fc1ccc(Cn2cccc2CN(Cc2cccc(Cl)c2)C2CCCCC2)cc1 ZINC000035843734 569062450 /nfs/dbraw/zinc/06/24/50/569062450.db2.gz XXQOCBSLHARCGR-UHFFFAOYSA-N 0 3 410.964 6.664 50 0 HKAAHN COCCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843741 569062496 /nfs/dbraw/zinc/06/24/96/569062496.db2.gz WZDOUMAQJCYZAB-UHFFFAOYSA-N 0 3 400.925 5.368 50 0 HKAAHN COCCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843742 569062474 /nfs/dbraw/zinc/06/24/74/569062474.db2.gz RSTBKSFLKIAVKN-UHFFFAOYSA-N 0 3 422.588 6.012 50 0 HKAAHN CC(C)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843755 569062489 /nfs/dbraw/zinc/06/24/89/569062489.db2.gz VQAMRHQOXYWQNT-UHFFFAOYSA-N 0 3 418.478 6.353 50 0 HKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035843771 569062468 /nfs/dbraw/zinc/06/24/68/569062468.db2.gz RVQJEXUGQJGCBM-GOSISDBHSA-N 0 3 400.488 6.000 50 0 HKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035843772 569062481 /nfs/dbraw/zinc/06/24/81/569062481.db2.gz RVQJEXUGQJGCBM-SFHVURJKSA-N 0 3 400.488 6.000 50 0 HKAAHN COC(=O)c1ccc(CN(Cc2cccn2Cc2ccc(F)cc2)[C@H](C)C(C)C)cc1 ZINC000035843775 569062547 /nfs/dbraw/zinc/06/25/47/569062547.db2.gz RGIYNLNTFNCNBX-HXUWFJFHSA-N 0 3 422.544 5.509 50 0 HKAAHN COC(=O)c1ccc(CN(Cc2cccn2Cc2ccc(F)cc2)[C@@H](C)C(C)C)cc1 ZINC000035843776 569062514 /nfs/dbraw/zinc/06/25/14/569062514.db2.gz RGIYNLNTFNCNBX-FQEVSTJZSA-N 0 3 422.544 5.509 50 0 HKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036031457 569081078 /nfs/dbraw/zinc/08/10/78/569081078.db2.gz ZMCMNITUQGBQPW-QHCPKHFHSA-N 0 3 413.920 5.230 50 0 HKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036031459 569081113 /nfs/dbraw/zinc/08/11/13/569081113.db2.gz ZMCMNITUQGBQPW-HSZRJFAPSA-N 0 3 413.920 5.230 50 0 HKAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)c1 ZINC000036031959 569081174 /nfs/dbraw/zinc/08/11/74/569081174.db2.gz YFYYGRAITBGETG-VWLOTQADSA-N 0 3 407.529 5.193 50 0 HKAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)c1 ZINC000036031962 569081137 /nfs/dbraw/zinc/08/11/37/569081137.db2.gz YFYYGRAITBGETG-RUZDIDTESA-N 0 3 407.529 5.193 50 0 HKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000036098982 569090978 /nfs/dbraw/zinc/09/09/78/569090978.db2.gz ZUXPGQHKENTAET-SANMLTNESA-N 0 3 407.529 5.022 50 0 HKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000036098984 569091025 /nfs/dbraw/zinc/09/10/25/569091025.db2.gz ZUXPGQHKENTAET-AREMUKBSSA-N 0 3 407.529 5.022 50 0 HKAAHN C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2NC2CCCCCCCCCCC2)[C@@H]1C ZINC000036162569 569103018 /nfs/dbraw/zinc/10/30/18/569103018.db2.gz YKSIZWWEVLYGSR-SZUBIPLGSA-N 0 3 424.673 7.229 50 0 HKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306393 569129702 /nfs/dbraw/zinc/12/97/02/569129702.db2.gz PEEPSRFFWLZPST-NRFANRHFSA-N 0 3 407.558 5.169 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306395 569129713 /nfs/dbraw/zinc/12/97/13/569129713.db2.gz PEEPSRFFWLZPST-OAQYLSRUSA-N 0 3 407.558 5.169 50 0 HKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)CC ZINC000036306477 569129832 /nfs/dbraw/zinc/12/98/32/569129832.db2.gz ARROMINMPWWIJH-OAQYLSRUSA-N 0 3 407.558 5.171 50 0 HKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)CC ZINC000036306480 569129888 /nfs/dbraw/zinc/12/98/88/569129888.db2.gz ARROMINMPWWIJH-NRFANRHFSA-N 0 3 407.558 5.171 50 0 HKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306577 569129386 /nfs/dbraw/zinc/12/93/86/569129386.db2.gz WFYIRXFTMITOEU-QFIPXVFZSA-N 0 3 419.569 5.171 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306579 569129305 /nfs/dbraw/zinc/12/93/05/569129305.db2.gz WFYIRXFTMITOEU-JOCHJYFZSA-N 0 3 419.569 5.171 50 0 HKAAHN CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307096 569129405 /nfs/dbraw/zinc/12/94/05/569129405.db2.gz NZXSAUKIUNICSE-NRFANRHFSA-N 0 3 423.532 5.144 50 0 HKAAHN CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307098 569129285 /nfs/dbraw/zinc/12/92/85/569129285.db2.gz NZXSAUKIUNICSE-OAQYLSRUSA-N 0 3 423.532 5.144 50 0 HKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307317 569129364 /nfs/dbraw/zinc/12/93/64/569129364.db2.gz WVKFBHLFQFDXGF-NRFANRHFSA-N 0 3 423.532 5.001 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307320 569129428 /nfs/dbraw/zinc/12/94/28/569129428.db2.gz WVKFBHLFQFDXGF-OAQYLSRUSA-N 0 3 423.532 5.001 50 0 HKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036307696 569130199 /nfs/dbraw/zinc/13/01/99/569130199.db2.gz KIKXMAABJMNARP-HXUWFJFHSA-N 0 3 411.521 5.001 50 0 HKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036307699 569130286 /nfs/dbraw/zinc/13/02/86/569130286.db2.gz KIKXMAABJMNARP-FQEVSTJZSA-N 0 3 411.521 5.001 50 0 HKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307786 569130229 /nfs/dbraw/zinc/13/02/29/569130229.db2.gz XZVGJQCENUHTKW-NRFANRHFSA-N 0 3 423.532 5.001 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307788 569130234 /nfs/dbraw/zinc/13/02/34/569130234.db2.gz XZVGJQCENUHTKW-OAQYLSRUSA-N 0 3 423.532 5.001 50 0 HKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308062 569130241 /nfs/dbraw/zinc/13/02/41/569130241.db2.gz MJYQDULBJQWWLF-NRFANRHFSA-N 0 3 407.558 5.108 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308066 569130190 /nfs/dbraw/zinc/13/01/90/569130190.db2.gz MJYQDULBJQWWLF-OAQYLSRUSA-N 0 3 407.558 5.108 50 0 HKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)C(C)C ZINC000036308243 569130406 /nfs/dbraw/zinc/13/04/06/569130406.db2.gz JQZYBZJTIKUTTE-QHCPKHFHSA-N 0 3 407.558 5.108 50 0 HKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)C(C)C ZINC000036308247 569130376 /nfs/dbraw/zinc/13/03/76/569130376.db2.gz JQZYBZJTIKUTTE-HSZRJFAPSA-N 0 3 407.558 5.108 50 0 HKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036313650 569133762 /nfs/dbraw/zinc/13/37/62/569133762.db2.gz KYCFCOTZEMIJLC-QFIPXVFZSA-N 0 3 421.585 5.641 50 0 HKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036313652 569133757 /nfs/dbraw/zinc/13/37/57/569133757.db2.gz KYCFCOTZEMIJLC-JOCHJYFZSA-N 0 3 421.585 5.641 50 0 HKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036313841 569133894 /nfs/dbraw/zinc/13/38/94/569133894.db2.gz GXBYZHCWFPBHQS-QFIPXVFZSA-N 0 3 419.569 5.395 50 0 HKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036313842 569133820 /nfs/dbraw/zinc/13/38/20/569133820.db2.gz GXBYZHCWFPBHQS-JOCHJYFZSA-N 0 3 419.569 5.395 50 0 HKAAHN CCCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313843 569133841 /nfs/dbraw/zinc/13/38/41/569133841.db2.gz LUMRPPYAHWNYSL-QFIPXVFZSA-N 0 3 421.585 5.643 50 0 HKAAHN CCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313844 569133802 /nfs/dbraw/zinc/13/38/02/569133802.db2.gz LUMRPPYAHWNYSL-JOCHJYFZSA-N 0 3 421.585 5.643 50 0 HKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](O)CC ZINC000036316232 569135107 /nfs/dbraw/zinc/13/51/07/569135107.db2.gz JFOUDTQYMVHFDC-JOCHJYFZSA-N 0 3 421.585 5.456 50 0 HKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](O)CC ZINC000036316233 569135148 /nfs/dbraw/zinc/13/51/48/569135148.db2.gz JFOUDTQYMVHFDC-QFIPXVFZSA-N 0 3 421.585 5.456 50 0 HKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](C)O ZINC000036316236 569135156 /nfs/dbraw/zinc/13/51/56/569135156.db2.gz DIERNJDZURGJBS-HXUWFJFHSA-N 0 3 407.558 5.066 50 0 HKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](C)O ZINC000036316237 569135122 /nfs/dbraw/zinc/13/51/22/569135122.db2.gz DIERNJDZURGJBS-FQEVSTJZSA-N 0 3 407.558 5.066 50 0 HKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](C)O ZINC000036316550 569135084 /nfs/dbraw/zinc/13/50/84/569135084.db2.gz BRRJKCUYQKOGPJ-QGZVFWFLSA-N 0 3 413.949 5.124 50 0 HKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](C)O ZINC000036316551 569135164 /nfs/dbraw/zinc/13/51/64/569135164.db2.gz BRRJKCUYQKOGPJ-KRWDZBQOSA-N 0 3 413.949 5.124 50 0 HKAAHN Cc1ccc(C2=NN(C(=O)CN(C)C3CCCCC3)[C@H](c3ccccc3)C2)cc1C ZINC000036341599 569142007 /nfs/dbraw/zinc/14/20/07/569142007.db2.gz XYEZLXUBUNRDCI-VWLOTQADSA-N 0 3 403.570 5.246 50 0 HKAAHN Cc1ccc(C2=NN(C(=O)CN(C)C3CCCCC3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341600 569142024 /nfs/dbraw/zinc/14/20/24/569142024.db2.gz XYEZLXUBUNRDCI-RUZDIDTESA-N 0 3 403.570 5.246 50 0 HKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342118 569142097 /nfs/dbraw/zinc/14/20/97/569142097.db2.gz UGECPUFRTSPMQR-QFIPXVFZSA-N 0 3 423.532 5.095 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342119 569142136 /nfs/dbraw/zinc/14/21/36/569142136.db2.gz UGECPUFRTSPMQR-JOCHJYFZSA-N 0 3 423.532 5.095 50 0 HKAAHN CCN(CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000036342524 569142197 /nfs/dbraw/zinc/14/21/97/569142197.db2.gz KMBIPPUXZQSARD-VWLOTQADSA-N 0 3 421.560 5.466 50 0 HKAAHN CCN(CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000036342525 569142205 /nfs/dbraw/zinc/14/22/05/569142205.db2.gz KMBIPPUXZQSARD-RUZDIDTESA-N 0 3 421.560 5.466 50 0 HKAAHN CCN(CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000036342854 569142121 /nfs/dbraw/zinc/14/21/21/569142121.db2.gz RJKRFMZBHWYGDR-DEOSSOPVSA-N 0 3 423.988 5.672 50 0 HKAAHN CCN(CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000036342856 569142076 /nfs/dbraw/zinc/14/20/76/569142076.db2.gz RJKRFMZBHWYGDR-XMMPIXPASA-N 0 3 423.988 5.672 50 0 HKAAHN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036343581 569142309 /nfs/dbraw/zinc/14/23/09/569142309.db2.gz JIAFNLVBMOJTMN-SANMLTNESA-N 0 3 417.597 5.554 50 0 HKAAHN Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036343584 569142306 /nfs/dbraw/zinc/14/23/06/569142306.db2.gz JIAFNLVBMOJTMN-AREMUKBSSA-N 0 3 417.597 5.554 50 0 HKAAHN Cc1ccc(C2=NN(C(=O)CN(C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)cc1C ZINC000036344706 569142885 /nfs/dbraw/zinc/14/28/85/569142885.db2.gz JQGZPUPVSLNDGF-VWLOTQADSA-N 0 3 421.560 5.385 50 0 HKAAHN Cc1ccc(C2=NN(C(=O)CN(C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)cc1C ZINC000036344707 569142834 /nfs/dbraw/zinc/14/28/34/569142834.db2.gz JQGZPUPVSLNDGF-RUZDIDTESA-N 0 3 421.560 5.385 50 0 HKAAHN Cc1ccc(C2=NN(C(=O)CN(C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344782 569142898 /nfs/dbraw/zinc/14/28/98/569142898.db2.gz IJVFCZYIUWOPAE-VWLOTQADSA-N 0 3 421.560 5.385 50 0 HKAAHN Cc1ccc(C2=NN(C(=O)CN(C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344783 569142865 /nfs/dbraw/zinc/14/28/65/569142865.db2.gz IJVFCZYIUWOPAE-RUZDIDTESA-N 0 3 421.560 5.385 50 0 HKAAHN Cc1ccc(C)c(C2=NN(C(=O)CN(C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344808 558799097 /nfs/dbraw/zinc/79/90/97/558799097.db2.gz SVLHDTSRILHBTA-VWLOTQADSA-N 0 3 421.560 5.385 50 0 HKAAHN Cc1ccc(C)c(C2=NN(C(=O)CN(C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344809 558799112 /nfs/dbraw/zinc/79/91/12/558799112.db2.gz SVLHDTSRILHBTA-RUZDIDTESA-N 0 3 421.560 5.385 50 0 HKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@@H](C)O ZINC000036345839 569143409 /nfs/dbraw/zinc/14/34/09/569143409.db2.gz BFWKYFIRHPQLRN-HXUWFJFHSA-N 0 3 407.558 5.120 50 0 HKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@H](C)O ZINC000036345840 569143379 /nfs/dbraw/zinc/14/33/79/569143379.db2.gz BFWKYFIRHPQLRN-FQEVSTJZSA-N 0 3 407.558 5.120 50 0 HKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)C(C)C ZINC000036345915 569143337 /nfs/dbraw/zinc/14/33/37/569143337.db2.gz VYUIBXWFAFLGRD-VWLOTQADSA-N 0 3 421.585 5.510 50 0 HKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)C(C)C ZINC000036345916 569143368 /nfs/dbraw/zinc/14/33/68/569143368.db2.gz VYUIBXWFAFLGRD-RUZDIDTESA-N 0 3 421.585 5.510 50 0 HKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345947 569143526 /nfs/dbraw/zinc/14/35/26/569143526.db2.gz AEOGRNNLEFLHBK-QHCPKHFHSA-N 0 3 419.569 5.264 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345948 569143560 /nfs/dbraw/zinc/14/35/60/569143560.db2.gz AEOGRNNLEFLHBK-HSZRJFAPSA-N 0 3 419.569 5.264 50 0 HKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346091 569143664 /nfs/dbraw/zinc/14/36/64/569143664.db2.gz URMFDQJZWJHUKA-NRFANRHFSA-N 0 3 423.532 5.095 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346092 569143519 /nfs/dbraw/zinc/14/35/19/569143519.db2.gz URMFDQJZWJHUKA-OAQYLSRUSA-N 0 3 423.532 5.095 50 0 HKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346121 569143513 /nfs/dbraw/zinc/14/35/13/569143513.db2.gz HDQORJRGCMLRHG-QHCPKHFHSA-N 0 3 421.585 5.510 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346122 569143537 /nfs/dbraw/zinc/14/35/37/569143537.db2.gz HDQORJRGCMLRHG-HSZRJFAPSA-N 0 3 421.585 5.510 50 0 HKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@@H](C)O ZINC000036346125 569143579 /nfs/dbraw/zinc/14/35/79/569143579.db2.gz XGQSWTBAJPZLTL-HXUWFJFHSA-N 0 3 407.558 5.120 50 0 HKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@H](C)O ZINC000036346126 569143680 /nfs/dbraw/zinc/14/36/80/569143680.db2.gz XGQSWTBAJPZLTL-FQEVSTJZSA-N 0 3 407.558 5.120 50 0 HKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346427 569143673 /nfs/dbraw/zinc/14/36/73/569143673.db2.gz BTODHPQJWPXWOT-QFIPXVFZSA-N 0 3 423.532 5.095 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346428 569143481 /nfs/dbraw/zinc/14/34/81/569143481.db2.gz BTODHPQJWPXWOT-JOCHJYFZSA-N 0 3 423.532 5.095 50 0 HKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](C)O)CC1CC1 ZINC000036346544 569143670 /nfs/dbraw/zinc/14/36/70/569143670.db2.gz CPERAKBAZIBVOE-HXUWFJFHSA-N 0 3 419.569 5.128 50 0 HKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](C)O)CC1CC1 ZINC000036346545 569143780 /nfs/dbraw/zinc/14/37/80/569143780.db2.gz CPERAKBAZIBVOE-FQEVSTJZSA-N 0 3 419.569 5.128 50 0 HKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346777 569143742 /nfs/dbraw/zinc/14/37/42/569143742.db2.gz TWAQUCXWENNNJY-QFIPXVFZSA-N 0 3 421.585 5.417 50 0 HKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346778 569143806 /nfs/dbraw/zinc/14/38/06/569143806.db2.gz TWAQUCXWENNNJY-JOCHJYFZSA-N 0 3 421.585 5.417 50 0 HKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036346781 569143847 /nfs/dbraw/zinc/14/38/47/569143847.db2.gz IPJAUZJUKPILEW-HXUWFJFHSA-N 0 3 407.558 5.027 50 0 HKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036346782 569143793 /nfs/dbraw/zinc/14/37/93/569143793.db2.gz IPJAUZJUKPILEW-FQEVSTJZSA-N 0 3 407.558 5.027 50 0 HKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346815 569143623 /nfs/dbraw/zinc/14/36/23/569143623.db2.gz VITAVNHDPDJDSG-WOJBJXKFSA-N 0 3 407.558 5.169 50 0 HKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346816 569143532 /nfs/dbraw/zinc/14/35/32/569143532.db2.gz VITAVNHDPDJDSG-VQTJNVASSA-N 0 3 407.558 5.169 50 0 HKAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347897 569144524 /nfs/dbraw/zinc/14/45/24/569144524.db2.gz YTGXCOPJYOJRHU-NDEPHWFRSA-N 0 3 408.545 6.584 50 0 HKAAHN Cc1cccc(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347898 569144518 /nfs/dbraw/zinc/14/45/18/569144518.db2.gz YTGXCOPJYOJRHU-MUUNZHRXSA-N 0 3 408.545 6.584 50 0 HKAAHN Cc1ccccc1[C@@H]1c2cccn2CCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000036348303 569144046 /nfs/dbraw/zinc/14/40/46/569144046.db2.gz NJMBSVZZMBNGRN-MUUNZHRXSA-N 0 3 408.545 6.584 50 0 HKAAHN Cc1ccccc1[C@H]1c2cccn2CCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000036348304 569144089 /nfs/dbraw/zinc/14/40/89/569144089.db2.gz NJMBSVZZMBNGRN-NDEPHWFRSA-N 0 3 408.545 6.584 50 0 HKAAHN Cc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348385 569144240 /nfs/dbraw/zinc/14/42/40/569144240.db2.gz YZJRAQJEPJBCPI-MUUNZHRXSA-N 0 3 408.545 6.584 50 0 HKAAHN Cc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348386 569144189 /nfs/dbraw/zinc/14/41/89/569144189.db2.gz YZJRAQJEPJBCPI-NDEPHWFRSA-N 0 3 408.545 6.584 50 0 HKAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000036389642 569165434 /nfs/dbraw/zinc/16/54/34/569165434.db2.gz GVHRIGWZAPAXDC-NYUBLWNDSA-N 0 3 409.599 5.129 50 0 HKAAHN CC[C@@H]1CCCCN1C(=O)[C@H](C)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000036390190 569165422 /nfs/dbraw/zinc/16/54/22/569165422.db2.gz BJXJWFCVTOYHJQ-UEXGIBASSA-N 0 3 409.599 5.131 50 0 HKAAHN Cc1ccc(NC(=O)[C@H](NCCc2c[nH]c3ccccc23)c2ccccc2)cc1Cl ZINC000036398644 569171594 /nfs/dbraw/zinc/17/15/94/569171594.db2.gz FOYQVPLPPTUFMU-XMMPIXPASA-N 0 3 417.940 5.642 50 0 HKAAHN Cc1ccc(NC(=O)[C@@H](NCCc2c[nH]c3ccccc23)c2ccccc2)cc1Cl ZINC000036398645 569171692 /nfs/dbraw/zinc/17/16/92/569171692.db2.gz FOYQVPLPPTUFMU-DEOSSOPVSA-N 0 3 417.940 5.642 50 0 HKAAHN O[C@H](CN[C@H](c1cccs1)c1ccc(F)cc1)CO[C@H]1CCCc2ccccc21 ZINC000036666595 569217453 /nfs/dbraw/zinc/21/74/53/569217453.db2.gz GPFNJXKIGXNQPX-SFLYRZDNSA-N 0 3 411.542 5.021 50 0 HKAAHN C[C@@H](NC(=O)[C@H](C)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccc1 ZINC000037195909 569240003 /nfs/dbraw/zinc/24/00/03/569240003.db2.gz QVMKACNLTBORMR-KGVIQGDOSA-N 0 3 417.578 5.217 50 0 HKAAHN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000037279853 569246365 /nfs/dbraw/zinc/24/63/65/569246365.db2.gz BDYBOGTWDBTMIF-UHFFFAOYSA-N 0 3 418.512 5.146 50 0 HKAAHN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000037279855 569246305 /nfs/dbraw/zinc/24/63/05/569246305.db2.gz JVIGXUDPJVQPPO-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279964 569246332 /nfs/dbraw/zinc/24/63/32/569246332.db2.gz ZWHYLMXUFLQZTK-UHFFFAOYSA-N 0 3 420.503 5.585 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279978 569246360 /nfs/dbraw/zinc/24/63/60/569246360.db2.gz IAGDRGOMQHHHRL-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)cc1 ZINC000037279991 569246280 /nfs/dbraw/zinc/24/62/80/569246280.db2.gz CPQZQRLJZQUZGT-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN Cc1cccc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)c1 ZINC000037279994 569246432 /nfs/dbraw/zinc/24/64/32/569246432.db2.gz REDKQFGWYTUSSE-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280024 569246447 /nfs/dbraw/zinc/24/64/47/569246447.db2.gz WGGROUAODLSMBJ-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000037280049 569246401 /nfs/dbraw/zinc/24/64/01/569246401.db2.gz JOYOVDLFUDJUGU-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN O=C(NCc1cccc(F)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547287 569305854 /nfs/dbraw/zinc/30/58/54/569305854.db2.gz WLWMISUMDXHXBV-UHFFFAOYSA-N 0 3 416.540 5.210 50 0 HKAAHN O=C(NCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547393 569305862 /nfs/dbraw/zinc/30/58/62/569305862.db2.gz IHSWWYKRIKLKMP-UHFFFAOYSA-N 0 3 416.540 5.210 50 0 HKAAHN Cc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000037547414 569305815 /nfs/dbraw/zinc/30/58/15/569305815.db2.gz NFQXFLNLFJIJOR-UHFFFAOYSA-N 0 3 412.577 5.380 50 0 HKAAHN Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3ccccc3)CC2)n1 ZINC000037554101 559176347 /nfs/dbraw/zinc/17/63/47/559176347.db2.gz CJKCCUAJYFSDSE-UHFFFAOYSA-N 0 3 405.586 5.174 50 0 HKAAHN Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554275 569306159 /nfs/dbraw/zinc/30/61/59/569306159.db2.gz MMLMNJGMUKQVAC-UHFFFAOYSA-N 0 3 419.613 5.519 50 0 HKAAHN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3ccccc3)CC2)n1 ZINC000037554358 559176286 /nfs/dbraw/zinc/17/62/86/559176286.db2.gz RGJRZQUXRCUQTO-UHFFFAOYSA-N 0 3 405.586 5.080 50 0 HKAAHN Cc1cccc(CN2CCC(c3nc(C)ccc3C(=O)N(C)C3CCCCC3)CC2)c1 ZINC000037554521 569306366 /nfs/dbraw/zinc/30/63/66/569306366.db2.gz FRPNLBFFUDKJGT-UHFFFAOYSA-N 0 3 419.613 5.483 50 0 HKAAHN Cc1ccc(C(=O)NCC(C)C)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554541 569306349 /nfs/dbraw/zinc/30/63/49/569306349.db2.gz AMYZBAOHDOUGQZ-UHFFFAOYSA-N 0 3 407.602 5.279 50 0 HKAAHN O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000037559429 569306816 /nfs/dbraw/zinc/30/68/16/569306816.db2.gz FESVQMMYJIYGIS-UHFFFAOYSA-N 0 3 406.476 5.276 50 0 HKAAHN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000037559437 569306844 /nfs/dbraw/zinc/30/68/44/569306844.db2.gz FPUOMXZIPYEHAH-UHFFFAOYSA-N 0 3 402.513 5.446 50 0 HKAAHN Cc1cccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccccc3)CC2)c1 ZINC000037559447 569306808 /nfs/dbraw/zinc/30/68/08/569306808.db2.gz OCAJMLKYEBKLCQ-UHFFFAOYSA-N 0 3 402.513 5.446 50 0 HKAAHN COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000037559450 569306841 /nfs/dbraw/zinc/30/68/41/569306841.db2.gz HPJGHKBFQNYHDU-UHFFFAOYSA-N 0 3 418.512 5.146 50 0 HKAAHN Cc1cccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c1 ZINC000037559497 569306856 /nfs/dbraw/zinc/30/68/56/569306856.db2.gz RKTUYRNYYQWZPK-UHFFFAOYSA-N 0 3 402.513 5.446 50 0 HKAAHN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037559517 569306795 /nfs/dbraw/zinc/30/67/95/569306795.db2.gz KNFJNJRRJJNRHE-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037559519 569306863 /nfs/dbraw/zinc/30/68/63/569306863.db2.gz GNXZZEDBZLBJNE-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000037559809 569306859 /nfs/dbraw/zinc/30/68/59/569306859.db2.gz BIRJCTSLPXPYBW-UHFFFAOYSA-N 0 3 406.476 5.276 50 0 HKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000037559819 569306820 /nfs/dbraw/zinc/30/68/20/569306820.db2.gz KGSUHANQDFPMFM-UHFFFAOYSA-N 0 3 400.522 5.007 50 0 HKAAHN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000037559821 569306852 /nfs/dbraw/zinc/30/68/52/569306852.db2.gz ZZNBTTSGDDEWTP-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000037559934 569306990 /nfs/dbraw/zinc/30/69/90/569306990.db2.gz QMNOGQAVVNOCLD-UHFFFAOYSA-N 0 3 402.513 5.446 50 0 HKAAHN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037559936 569306925 /nfs/dbraw/zinc/30/69/25/569306925.db2.gz ABKWYWQBTDJFDN-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000037560109 569306919 /nfs/dbraw/zinc/30/69/19/569306919.db2.gz HSRROXYMBHNLRJ-UHFFFAOYSA-N 0 3 420.578 5.377 50 0 HKAAHN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037560392 569306940 /nfs/dbraw/zinc/30/69/40/569306940.db2.gz LNJNNFBLCFCVHL-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000037560501 569307057 /nfs/dbraw/zinc/30/70/57/569307057.db2.gz XHCOBSRRNDVKCL-UHFFFAOYSA-N 0 3 420.578 5.377 50 0 HKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000037560646 569307069 /nfs/dbraw/zinc/30/70/69/569307069.db2.gz BPTHFEYJEZNSQD-UHFFFAOYSA-N 0 3 400.522 5.007 50 0 HKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)cc1 ZINC000037560848 569307092 /nfs/dbraw/zinc/30/70/92/569307092.db2.gz WCVOLSLYXMKTDD-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000037570524 569307393 /nfs/dbraw/zinc/30/73/93/569307393.db2.gz GWAKPWHIFBYWLJ-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN Cc1cccc(CN2CCC(N(C(=O)c3ccco3)c3ccc(C)c(F)c3)CC2)c1 ZINC000037570531 569307435 /nfs/dbraw/zinc/30/74/35/569307435.db2.gz VZQYWSOARYXWDX-UHFFFAOYSA-N 0 3 406.501 5.347 50 0 HKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)cc1 ZINC000037570534 569307439 /nfs/dbraw/zinc/30/74/39/569307439.db2.gz WZONOHCIDYCQOB-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000037570627 569307401 /nfs/dbraw/zinc/30/74/01/569307401.db2.gz OFDPGGZCZJULSW-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN COc1cccc(CN2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)c1 ZINC000037570637 569307412 /nfs/dbraw/zinc/30/74/12/569307412.db2.gz WIJNUYSGKBDSJH-UHFFFAOYSA-N 0 3 414.549 5.315 50 0 HKAAHN Cc1cccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)c1 ZINC000037570643 569307426 /nfs/dbraw/zinc/30/74/26/569307426.db2.gz WGPUCLAJRNDNTE-UHFFFAOYSA-N 0 3 416.540 5.754 50 0 HKAAHN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037580729 559255479 /nfs/dbraw/zinc/25/54/79/559255479.db2.gz FJXCVYQLNVNVBN-UHFFFAOYSA-N 0 3 412.577 5.869 50 0 HKAAHN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037580758 569308069 /nfs/dbraw/zinc/30/80/69/569308069.db2.gz YJVMJWWPHLPVBI-UHFFFAOYSA-N 0 3 412.577 5.869 50 0 HKAAHN Cc1cc2c(cc(C(=O)NCCN3CCCC3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037587823 569308232 /nfs/dbraw/zinc/30/82/32/569308232.db2.gz WDZOYZKNDRGSRC-UHFFFAOYSA-N 0 3 423.626 5.183 50 0 HKAAHN Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545895 568999831 /nfs/dbraw/zinc/99/98/31/568999831.db2.gz FTQOZLLEMZLZMA-HSZRJFAPSA-N 0 3 422.594 6.601 50 0 HKAAHN Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545896 568999754 /nfs/dbraw/zinc/99/97/54/568999754.db2.gz FTQOZLLEMZLZMA-QHCPKHFHSA-N 0 3 422.594 6.601 50 0 HKAAHN O=C(Nc1sc2c(c1[C@H](c1ccccc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545951 568999844 /nfs/dbraw/zinc/99/98/44/568999844.db2.gz TZTQRBCWTGSUPW-QHCPKHFHSA-N 0 3 420.578 6.048 50 0 HKAAHN O=C(Nc1sc2c(c1[C@@H](c1ccccc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545952 568999719 /nfs/dbraw/zinc/99/97/19/568999719.db2.gz TZTQRBCWTGSUPW-HSZRJFAPSA-N 0 3 420.578 6.048 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CCCCC2)c1C ZINC000038545971 568999841 /nfs/dbraw/zinc/99/98/41/568999841.db2.gz YZORXBGMBPFELN-OAQYLSRUSA-N 0 3 410.608 6.254 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)N2CCCCC2)c1C ZINC000038545972 568999747 /nfs/dbraw/zinc/99/97/47/568999747.db2.gz YZORXBGMBPFELN-NRFANRHFSA-N 0 3 410.608 6.254 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(C)cc2)N2CCCCC2)c1C ZINC000038545992 568999859 /nfs/dbraw/zinc/99/98/59/568999859.db2.gz MFRJUCMDWIXBHM-QFIPXVFZSA-N 0 3 424.635 6.562 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(C)cc2)N2CCCCC2)c1C ZINC000038545993 568999848 /nfs/dbraw/zinc/99/98/48/568999848.db2.gz MFRJUCMDWIXBHM-JOCHJYFZSA-N 0 3 424.635 6.562 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccs2)N2CCCCC2)c1C ZINC000038546004 568999744 /nfs/dbraw/zinc/99/97/44/568999744.db2.gz FKTQADVXUCKXMJ-LJQANCHMSA-N 0 3 416.637 6.316 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCCCC2)c1C ZINC000038546005 568999805 /nfs/dbraw/zinc/99/98/05/568999805.db2.gz FKTQADVXUCKXMJ-IBGZPJMESA-N 0 3 416.637 6.316 50 0 HKAAHN Cc1cc([C@H](c2ccc(C)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546251 569000237 /nfs/dbraw/zinc/00/02/37/569000237.db2.gz SCXQHULLRXVFAR-QFIPXVFZSA-N 0 3 408.567 6.032 50 0 HKAAHN Cc1cc([C@@H](c2ccc(C)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546252 568577802 /nfs/dbraw/zinc/57/78/02/568577802.db2.gz SCXQHULLRXVFAR-JOCHJYFZSA-N 0 3 408.567 6.032 50 0 HKAAHN CCc1cc([C@@H](c2ccccc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546277 569000230 /nfs/dbraw/zinc/00/02/30/569000230.db2.gz CNAMYNADLTYLMZ-JOCHJYFZSA-N 0 3 408.567 5.977 50 0 HKAAHN CCc1cc([C@H](c2ccccc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546278 568577811 /nfs/dbraw/zinc/57/78/11/568577811.db2.gz CNAMYNADLTYLMZ-QFIPXVFZSA-N 0 3 408.567 5.977 50 0 HKAAHN CCc1cc([C@@H](c2ccc(C)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546291 569000188 /nfs/dbraw/zinc/00/01/88/569000188.db2.gz DYBJMFNIRIXTGW-HSZRJFAPSA-N 0 3 422.594 6.286 50 0 HKAAHN CCc1cc([C@H](c2ccc(C)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546292 569000136 /nfs/dbraw/zinc/00/01/36/569000136.db2.gz DYBJMFNIRIXTGW-QHCPKHFHSA-N 0 3 422.594 6.286 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CCC(C)CC2)c1C ZINC000038546701 569000504 /nfs/dbraw/zinc/00/05/04/569000504.db2.gz MAZQXWOOHOHJMY-JOCHJYFZSA-N 0 3 424.635 6.500 50 0 HKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)N2CCC(C)CC2)c1C ZINC000038546702 569000389 /nfs/dbraw/zinc/00/03/89/569000389.db2.gz MAZQXWOOHOHJMY-QFIPXVFZSA-N 0 3 424.635 6.500 50 0 HKAAHN COc1ccc(C[C@H](c2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000039931433 571134918 /nfs/dbraw/zinc/13/49/18/571134918.db2.gz BVQQXEYBVWBXGX-RUZDIDTESA-N 0 3 416.565 5.118 50 0 HKAAHN COc1ccc(C[C@@H](c2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000039931434 571134862 /nfs/dbraw/zinc/13/48/62/571134862.db2.gz BVQQXEYBVWBXGX-VWLOTQADSA-N 0 3 416.565 5.118 50 0 HKAAHN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCc1ccc(Cl)cc1 ZINC000039979579 571135968 /nfs/dbraw/zinc/13/59/68/571135968.db2.gz GMWPOSBNHMJWRU-UHFFFAOYSA-N 0 3 408.760 5.532 50 0 HKAAHN C[C@H](NC(=O)CN[C@@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155746 571202839 /nfs/dbraw/zinc/20/28/39/571202839.db2.gz UOKVPPMLSNPROL-UGSOOPFHSA-N 0 3 409.393 5.065 50 0 HKAAHN C[C@@H](NC(=O)CN[C@@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155747 568626306 /nfs/dbraw/zinc/62/63/06/568626306.db2.gz UOKVPPMLSNPROL-ACJLOTCBSA-N 0 3 409.393 5.065 50 0 HKAAHN C[C@H](NC(=O)CN[C@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155748 571202997 /nfs/dbraw/zinc/20/29/97/571202997.db2.gz UOKVPPMLSNPROL-SCLBCKFNSA-N 0 3 409.393 5.065 50 0 HKAAHN C[C@@H](NC(=O)CN[C@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 ZINC000040155749 571202985 /nfs/dbraw/zinc/20/29/85/571202985.db2.gz UOKVPPMLSNPROL-FZKQIMNGSA-N 0 3 409.393 5.065 50 0 HKAAHN Cc1cccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040414704 524387760 /nfs/dbraw/zinc/38/77/60/524387760.db2.gz IQNUGLJJFZRUIW-UHFFFAOYSA-N 0 3 420.503 5.585 50 0 HKAAHN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000040416015 521090612 /nfs/dbraw/zinc/09/06/12/521090612.db2.gz XOJJPCWPSPLGLO-UHFFFAOYSA-N 0 3 404.476 5.421 50 0 HKAAHN CCCCCNCc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040739976 520227283 /nfs/dbraw/zinc/22/72/83/520227283.db2.gz IVCYKTMWXAGOQB-UHFFFAOYSA-N 0 3 419.363 5.055 50 0 HKAAHN COc1ccc2nc(C)cc(NCCSc3cc(C)nc4ccc(OC)cc43)c2c1 ZINC000041105093 525663280 /nfs/dbraw/zinc/66/32/80/525663280.db2.gz ITCHHJBNZHJQHR-UHFFFAOYSA-N 0 3 419.550 5.621 50 0 HKAAHN C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)N1CCCCC1 ZINC000041156082 524759859 /nfs/dbraw/zinc/75/98/59/524759859.db2.gz GTENRUOPDBFEEV-SFHVURJKSA-N 0 3 413.525 5.238 50 0 HKAAHN C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)N1CCCCC1 ZINC000041156085 524511628 /nfs/dbraw/zinc/51/16/28/524511628.db2.gz GTENRUOPDBFEEV-GOSISDBHSA-N 0 3 413.525 5.238 50 0 HKAAHN COCc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000042942786 522974316 /nfs/dbraw/zinc/97/43/16/522974316.db2.gz NTWHGLFSMIMOSI-INIZCTEOSA-N 0 3 419.447 5.215 50 0 HKAAHN COCc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000042942789 522974395 /nfs/dbraw/zinc/97/43/95/522974395.db2.gz NTWHGLFSMIMOSI-MRXNPFEDSA-N 0 3 419.447 5.215 50 0 HKAAHN COCc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc4ccccc43)C2)o1 ZINC000043056932 522972533 /nfs/dbraw/zinc/97/25/33/522972533.db2.gz VGYKSUKVTWOMQW-IBGZPJMESA-N 0 3 401.510 5.349 50 0 HKAAHN COCc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc4ccccc43)C2)o1 ZINC000043056933 522974031 /nfs/dbraw/zinc/97/40/31/522974031.db2.gz VGYKSUKVTWOMQW-LJQANCHMSA-N 0 3 401.510 5.349 50 0 HKAAHN Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1 ZINC000043206677 569014188 /nfs/dbraw/zinc/01/41/88/569014188.db2.gz ZHPMYDSXGRRERG-DEOSSOPVSA-N 0 3 418.512 5.671 50 0 investigational HKAAHN CSc1ccccc1CN1CCC(CNC(=O)Nc2ccccc2Cl)CC1 ZINC000043991701 526157424 /nfs/dbraw/zinc/15/74/24/526157424.db2.gz UVIPUEGLKCLNMY-UHFFFAOYSA-N 0 3 403.979 5.096 50 0 HKAAHN Cc1ccc(CN(Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC(C)C)cc1 ZINC000046032326 568424700 /nfs/dbraw/zinc/42/47/00/568424700.db2.gz ADQSHYRBDBVWKO-UHFFFAOYSA-N 0 3 424.614 5.165 50 0 HKAAHN CCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055507 568425727 /nfs/dbraw/zinc/42/57/27/568425727.db2.gz HSZTXOUPZLTPOF-UHFFFAOYSA-N 0 3 423.988 5.081 50 0 HKAAHN CCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055606 568425711 /nfs/dbraw/zinc/42/57/11/568425711.db2.gz MJYWLFCWWFUXFO-UHFFFAOYSA-N 0 3 423.988 5.081 50 0 HKAAHN CCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055707 568425719 /nfs/dbraw/zinc/42/57/19/568425719.db2.gz VBAKBJZMFDQOPJ-UHFFFAOYSA-N 0 3 423.988 5.081 50 0 HKAAHN CCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000046055904 568425717 /nfs/dbraw/zinc/42/57/17/568425717.db2.gz XXPKPIIDPNCWMZ-UHFFFAOYSA-N 0 3 417.597 5.126 50 0 HKAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000046056386 568425878 /nfs/dbraw/zinc/42/58/78/568425878.db2.gz DZDDEZJUYDUPOB-MRXNPFEDSA-N 0 3 413.930 5.130 50 0 HKAAHN Cc1cc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000046056388 568425957 /nfs/dbraw/zinc/42/59/57/568425957.db2.gz DZDDEZJUYDUPOB-INIZCTEOSA-N 0 3 413.930 5.130 50 0 HKAAHN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056510 568425919 /nfs/dbraw/zinc/42/59/19/568425919.db2.gz VLJSRIUYYWEDCQ-JOCHJYFZSA-N 0 3 409.489 5.259 50 0 HKAAHN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056512 568425902 /nfs/dbraw/zinc/42/59/02/568425902.db2.gz VLJSRIUYYWEDCQ-QFIPXVFZSA-N 0 3 409.489 5.259 50 0 HKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056514 568425962 /nfs/dbraw/zinc/42/59/62/568425962.db2.gz INQUYDYRKSEYGC-FQEVSTJZSA-N 0 3 415.880 5.296 50 0 HKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056517 568425864 /nfs/dbraw/zinc/42/58/64/568425864.db2.gz INQUYDYRKSEYGC-HXUWFJFHSA-N 0 3 415.880 5.296 50 0 HKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056520 568425851 /nfs/dbraw/zinc/42/58/51/568425851.db2.gz KBFSASGBLGRFRO-FQEVSTJZSA-N 0 3 415.880 5.296 50 0 HKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056523 568425905 /nfs/dbraw/zinc/42/59/05/568425905.db2.gz KBFSASGBLGRFRO-HXUWFJFHSA-N 0 3 415.880 5.296 50 0 HKAAHN CSc1ccccc1CN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000049523419 568452320 /nfs/dbraw/zinc/45/23/20/568452320.db2.gz LPEQFTNCDSACLX-UHFFFAOYSA-N 0 3 422.516 5.069 50 0 HKAAHN CC(C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000049535962 568451050 /nfs/dbraw/zinc/45/10/50/568451050.db2.gz WAMHINVTGSQZTE-UHFFFAOYSA-N 0 3 423.988 5.080 50 0 HKAAHN CC(C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000049535963 568450988 /nfs/dbraw/zinc/45/09/88/568450988.db2.gz OXIXRVAMBWYBID-UHFFFAOYSA-N 0 3 423.988 5.080 50 0 HKAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000049535964 568450968 /nfs/dbraw/zinc/45/09/68/568450968.db2.gz CWEGONVCZTZXGV-OAQYLSRUSA-N 0 3 417.597 5.125 50 0 HKAAHN CC[C@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000049535965 568451056 /nfs/dbraw/zinc/45/10/56/568451056.db2.gz CWEGONVCZTZXGV-NRFANRHFSA-N 0 3 417.597 5.125 50 0 HKAAHN CCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000049535971 568451047 /nfs/dbraw/zinc/45/10/47/568451047.db2.gz PSKDLERYGCPLQF-UHFFFAOYSA-N 0 3 417.597 5.126 50 0 HKAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000049535972 568450985 /nfs/dbraw/zinc/45/09/85/568450985.db2.gz PAEODHXMSZIEDM-OAQYLSRUSA-N 0 3 417.597 5.125 50 0 HKAAHN CC[C@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000049535973 568451017 /nfs/dbraw/zinc/45/10/17/568451017.db2.gz PAEODHXMSZIEDM-NRFANRHFSA-N 0 3 417.597 5.125 50 0 HKAAHN Clc1ccc(-c2nc3ccccc3c(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000054214646 569061205 /nfs/dbraw/zinc/06/12/05/569061205.db2.gz NOPDPPMQYVNCOW-UHFFFAOYSA-N 0 3 414.940 5.272 50 0 HKAAHN Cc1cccc2cc(CNC[C@@H]3COc4ccccc4O3)c(-c3cccs3)nc12 ZINC000055041920 558870465 /nfs/dbraw/zinc/87/04/65/558870465.db2.gz JAITWOIFIHBYJS-LJQANCHMSA-N 0 3 402.519 5.201 50 0 HKAAHN Cc1cccc2cc(CNC[C@H]3COc4ccccc4O3)c(-c3cccs3)nc12 ZINC000055041921 558870456 /nfs/dbraw/zinc/87/04/56/558870456.db2.gz JAITWOIFIHBYJS-IBGZPJMESA-N 0 3 402.519 5.201 50 0 HKAAHN O=C(NC1CCCC1)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000055167025 558874701 /nfs/dbraw/zinc/87/47/01/558874701.db2.gz NLSBHJARNDACHO-UHFFFAOYSA-N 0 3 418.990 5.117 50 0 HKAAHN O=C(c1ccc(Cl)cc1OC1CCN(Cc2cccs2)CC1)N1CCCCC1 ZINC000055195916 558875464 /nfs/dbraw/zinc/87/54/64/558875464.db2.gz JQAIZILGTXYFFC-UHFFFAOYSA-N 0 3 418.990 5.071 50 0 HKAAHN O=C(c1ccc(OC2CCN(Cc3cc4ccccc4s3)CC2)cc1)N1CCCC1 ZINC000055361100 558880162 /nfs/dbraw/zinc/88/01/62/558880162.db2.gz GSRVXPWDXCLUGJ-UHFFFAOYSA-N 0 3 420.578 5.181 50 0 HKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc2ccccc2c1 ZINC000055529298 558881793 /nfs/dbraw/zinc/88/17/93/558881793.db2.gz AYGRTQRUBZXLQY-UHFFFAOYSA-N 0 3 421.544 5.414 50 0 HKAAHN CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000055529488 558881745 /nfs/dbraw/zinc/88/17/45/558881745.db2.gz BALYSPHUAUPNKJ-UHFFFAOYSA-N 0 3 413.565 5.385 50 0 HKAAHN CCOc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000055535534 558881763 /nfs/dbraw/zinc/88/17/63/558881763.db2.gz LSQRYZDRBPWXTJ-UHFFFAOYSA-N 0 3 401.554 5.020 50 0 HKAAHN Fc1cccc(Cl)c1CNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000055535559 558881827 /nfs/dbraw/zinc/88/18/27/558881827.db2.gz HXKNIQGERXWYOA-UHFFFAOYSA-N 0 3 409.936 5.413 50 0 HKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc2ccccc21 ZINC000057215313 558887745 /nfs/dbraw/zinc/88/77/45/558887745.db2.gz QBQWWLGCRVKBKK-UHFFFAOYSA-N 0 3 421.544 5.414 50 0 HKAAHN CC1=C(C)[C@@H](NC2CCCCCCCCCCC2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000057317518 568826899 /nfs/dbraw/zinc/82/68/99/568826899.db2.gz IRXHHOJTUFUDPU-CUNXSJBXSA-N 0 3 424.673 6.775 50 0 HKAAHN COc1ccc(-c2csc3ncnc(NC[C@@H](c4cccs4)N(C)C)c23)cc1 ZINC000057366530 568829533 /nfs/dbraw/zinc/82/95/33/568829533.db2.gz BRJDVGUKTAVXQW-KRWDZBQOSA-N 0 3 410.568 5.143 50 0 HKAAHN COc1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)N(C)C)c23)cc1 ZINC000057366532 568829500 /nfs/dbraw/zinc/82/95/00/568829500.db2.gz BRJDVGUKTAVXQW-QGZVFWFLSA-N 0 3 410.568 5.143 50 0 HKAAHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000057475479 568839246 /nfs/dbraw/zinc/83/92/46/568839246.db2.gz OVMAWJAEOOZATA-JOCHJYFZSA-N 0 3 410.949 5.068 50 0 HKAAHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000057475480 568839299 /nfs/dbraw/zinc/83/92/99/568839299.db2.gz OVMAWJAEOOZATA-QFIPXVFZSA-N 0 3 410.949 5.068 50 0 HKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc2ccccc2o1 ZINC000057527444 568850812 /nfs/dbraw/zinc/85/08/12/568850812.db2.gz BKKAHZYWAXVVNB-UHFFFAOYSA-N 0 3 411.505 5.007 50 0 HKAAHN CCOc1ccccc1CNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057541756 558889273 /nfs/dbraw/zinc/88/92/73/558889273.db2.gz NGICEPWKPFUJQS-UHFFFAOYSA-N 0 3 401.554 5.020 50 0 HKAAHN CCc1ccc([C@H](NCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C(C)C)cc1 ZINC000057849690 568863283 /nfs/dbraw/zinc/86/32/83/568863283.db2.gz DMQBNTYHDYMJQD-RUZDIDTESA-N 0 3 418.585 5.285 50 0 HKAAHN CCc1ccc([C@@H](NCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C(C)C)cc1 ZINC000057849697 568863448 /nfs/dbraw/zinc/86/34/48/568863448.db2.gz DMQBNTYHDYMJQD-VWLOTQADSA-N 0 3 418.585 5.285 50 0 HKAAHN Cc1scc(CN2CCN(c3cc(Cl)ccc3C)CC2)c1-c1ccc(C)cc1 ZINC000057992739 568873069 /nfs/dbraw/zinc/87/30/69/568873069.db2.gz IMRIJZHZABRDHQ-UHFFFAOYSA-N 0 3 411.014 6.316 50 0 HKAAHN COc1cc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(F)F ZINC000058141909 558901618 /nfs/dbraw/zinc/90/16/18/558901618.db2.gz PZGIOXODGUVLPY-UHFFFAOYSA-N 0 3 420.283 5.637 50 0 HKAAHN CC(C)(NCc1ccc(OCc2cscn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000058171952 558908255 /nfs/dbraw/zinc/90/82/55/558908255.db2.gz CCJVKQPXIOSXTO-UHFFFAOYSA-N 0 3 407.366 6.054 50 0 HKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000058476310 568920663 /nfs/dbraw/zinc/92/06/63/568920663.db2.gz SKHITEJNZGODQD-IVNHJSRESA-N 0 3 415.964 6.615 50 0 biogenic HKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000058476312 568920687 /nfs/dbraw/zinc/92/06/87/568920687.db2.gz SKHITEJNZGODQD-PBMMVTTKSA-N 0 3 415.964 6.615 50 0 biogenic HKAAHN Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@H](O)CCC1 ZINC000058980752 558931317 /nfs/dbraw/zinc/93/13/17/558931317.db2.gz DHAVVSHZLVKYGS-MUUNZHRXSA-N 0 3 424.588 6.022 50 0 HKAAHN O=C(c1ccc2c(c1)OCCO2)C1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000059392888 558935301 /nfs/dbraw/zinc/93/53/01/558935301.db2.gz MPHDMOFLSHZMDD-UHFFFAOYSA-N 0 3 411.501 5.123 50 0 HKAAHN Fc1ccc(-c2noc([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000060343303 559054293 /nfs/dbraw/zinc/05/42/93/559054293.db2.gz XDVMUDPZAQHHCQ-INIZCTEOSA-N 0 3 405.395 5.274 50 0 HKAAHN Fc1ccc(-c2noc([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000060343304 558857225 /nfs/dbraw/zinc/85/72/25/558857225.db2.gz XDVMUDPZAQHHCQ-MRXNPFEDSA-N 0 3 405.395 5.274 50 0 HKAAHN Brc1ccccc1-c1nnc(CN2CCC[C@@H]2CC2CCCCC2)o1 ZINC000060892904 559165066 /nfs/dbraw/zinc/16/50/66/559165066.db2.gz NBLSVFLNVPYIJK-MRXNPFEDSA-N 0 3 404.352 5.434 50 0 HKAAHN COc1ccccc1-c1nc2cc3c(cc2cc1CNCc1cccs1)CCC3 ZINC000064103162 558962087 /nfs/dbraw/zinc/96/20/87/558962087.db2.gz KEOMFNXWFMIXJT-UHFFFAOYSA-N 0 3 400.547 5.750 50 0 HKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CNCc2cccs2)cc1 ZINC000064157875 558962114 /nfs/dbraw/zinc/96/21/14/558962114.db2.gz FKUUAVKIQATYIG-UHFFFAOYSA-N 0 3 406.576 5.984 50 0 HKAAHN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000064450200 569062802 /nfs/dbraw/zinc/06/28/02/569062802.db2.gz ZVULIIODRUWGKZ-JOCHJYFZSA-N 0 3 409.489 5.259 50 0 HKAAHN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000064450201 569062762 /nfs/dbraw/zinc/06/27/62/569062762.db2.gz ZVULIIODRUWGKZ-QFIPXVFZSA-N 0 3 409.489 5.259 50 0 HKAAHN Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NCCN(C)C)cc1C ZINC000064588547 569068910 /nfs/dbraw/zinc/06/89/10/569068910.db2.gz CJHCJHRFKDEMEK-UHFFFAOYSA-N 0 3 403.551 5.025 50 0 HKAAHN CN(C)CCNC(=O)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000064588549 569068955 /nfs/dbraw/zinc/06/89/55/569068955.db2.gz DVOLABQVADCTRI-UHFFFAOYSA-N 0 3 409.942 5.061 50 0 HKAAHN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCCN1CCCCCC1 ZINC000064657764 569077357 /nfs/dbraw/zinc/07/73/57/569077357.db2.gz BABOATFEWOAGMC-UHFFFAOYSA-N 0 3 415.990 5.015 50 0 HKAAHN CCn1cc(CN2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000064669717 569078859 /nfs/dbraw/zinc/07/88/59/569078859.db2.gz XWWNGWKDSGDBOK-SFHVURJKSA-N 0 3 423.988 5.404 50 0 HKAAHN CCn1cc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000064669719 569078898 /nfs/dbraw/zinc/07/88/98/569078898.db2.gz XWWNGWKDSGDBOK-GOSISDBHSA-N 0 3 423.988 5.404 50 0 HKAAHN Cn1cc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000064669768 569078894 /nfs/dbraw/zinc/07/88/94/569078894.db2.gz WDNQJYXKFTVAPR-UHFFFAOYSA-N 0 3 413.993 5.050 50 0 HKAAHN CCn1cc(CN2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2ccccc21 ZINC000064669853 569078833 /nfs/dbraw/zinc/07/88/33/569078833.db2.gz JDUBCRNUAMUPQX-RUZDIDTESA-N 0 3 415.581 5.067 50 0 HKAAHN CCn1cc(CN2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2ccccc21 ZINC000064669858 569078842 /nfs/dbraw/zinc/07/88/42/569078842.db2.gz JDUBCRNUAMUPQX-VWLOTQADSA-N 0 3 415.581 5.067 50 0 HKAAHN CC(C)c1ccc([C@@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1 ZINC000065059990 569163862 /nfs/dbraw/zinc/16/38/62/569163862.db2.gz YSEZEYHCMFFKDP-HXUWFJFHSA-N 0 3 417.597 5.391 50 0 HKAAHN CC(C)c1ccc([C@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1 ZINC000065059991 569163892 /nfs/dbraw/zinc/16/38/92/569163892.db2.gz YSEZEYHCMFFKDP-FQEVSTJZSA-N 0 3 417.597 5.391 50 0 HKAAHN CCn1cc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c2cc(Cl)ccc21 ZINC000065060046 569163989 /nfs/dbraw/zinc/16/39/89/569163989.db2.gz XFVKLEKKEQSWOP-UHFFFAOYSA-N 0 3 416.009 5.366 50 0 HKAAHN CCn1cc(CN2CCC(C(=O)NCc3ccccc3C)CC2)c2cc(Cl)ccc21 ZINC000065060059 569163981 /nfs/dbraw/zinc/16/39/81/569163981.db2.gz PCPBOJPPQWJSOR-UHFFFAOYSA-N 0 3 423.988 5.151 50 0 HKAAHN COc1ccc2nc3oc(C(=O)Nc4ccc(CN5CCCCC5)cc4)cc3cc2c1 ZINC000065331053 569225230 /nfs/dbraw/zinc/22/52/30/569225230.db2.gz KBOOHPAVOPJGQY-UHFFFAOYSA-N 0 3 415.493 5.228 50 0 HKAAHN COc1cc(-c2c(-c3ccccc3)ncn2Cc2ccccc2CN(C)C)ccc1O ZINC000065403690 558977425 /nfs/dbraw/zinc/97/74/25/558977425.db2.gz QNFXXJYRCGTLGP-UHFFFAOYSA-N 0 3 413.521 5.041 50 0 HKAAHN COc1ccc(/C=C/CN2CC[C@@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)cc1 ZINC000065469561 558977865 /nfs/dbraw/zinc/97/78/65/558977865.db2.gz WVCBZZULYCQIMB-YQRKEEQESA-N 0 3 412.533 5.463 50 0 HKAAHN COc1ccc(/C=C/CN2CC[C@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)cc1 ZINC000065469566 558977982 /nfs/dbraw/zinc/97/79/82/558977982.db2.gz WVCBZZULYCQIMB-MGPWBUOISA-N 0 3 412.533 5.463 50 0 HKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065552463 569235124 /nfs/dbraw/zinc/23/51/24/569235124.db2.gz HJEZMHVMOYZYES-BGYRXZFFSA-N 0 3 415.622 5.287 50 0 HKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065552464 569235145 /nfs/dbraw/zinc/23/51/45/569235145.db2.gz HJEZMHVMOYZYES-PMACEKPBSA-N 0 3 415.622 5.287 50 0 HKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065552465 569235186 /nfs/dbraw/zinc/23/51/86/569235186.db2.gz HJEZMHVMOYZYES-WOJBJXKFSA-N 0 3 415.622 5.287 50 0 HKAAHN Brc1cc(CNCc2csc3ccccc23)cc2c1OCCCO2 ZINC000065932975 569304191 /nfs/dbraw/zinc/30/41/91/569304191.db2.gz QCBABLLYPIQNES-UHFFFAOYSA-N 0 3 404.329 5.115 50 0 HKAAHN CC1(C)C[C@H](CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CCO1 ZINC000067741362 558992096 /nfs/dbraw/zinc/99/20/96/558992096.db2.gz JYUKRIOOCMSIJQ-MRXNPFEDSA-N 0 3 401.934 5.112 50 0 HKAAHN CC1(C)C[C@@H](CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CCO1 ZINC000067741364 558992024 /nfs/dbraw/zinc/99/20/24/558992024.db2.gz JYUKRIOOCMSIJQ-INIZCTEOSA-N 0 3 401.934 5.112 50 0 HKAAHN [O-]c1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067743438 558992272 /nfs/dbraw/zinc/99/22/72/558992272.db2.gz NSPYBCXSRYMQPP-UHFFFAOYSA-N 0 3 413.993 5.097 50 0 HKAAHN CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 ZINC000068243575 558862908 /nfs/dbraw/zinc/86/29/08/558862908.db2.gz QKKIWEILHCXECO-UHFFFAOYSA-N 0 3 421.548 5.126 50 0 in-vitro HKAAHN Brc1ccc2scc(CN(Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000068677063 558864172 /nfs/dbraw/zinc/86/41/72/558864172.db2.gz YCHSWSXPYKWCCN-UHFFFAOYSA-N 0 3 422.391 6.866 50 0 HKAAHN Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@H](O)CCC1 ZINC000068705049 558864374 /nfs/dbraw/zinc/86/43/74/558864374.db2.gz DHAVVSHZLVKYGS-NDEPHWFRSA-N 0 3 424.588 6.022 50 0 HKAAHN COc1ccc(C2=C(CN(C)C)[C@@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000071405264 571293827 /nfs/dbraw/zinc/29/38/27/571293827.db2.gz DMSJJPVUPIAKFP-QFIPXVFZSA-N 0 3 415.533 5.395 50 0 HKAAHN COc1ccc(C2=C(CN(C)C)[C@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000071405265 571293800 /nfs/dbraw/zinc/29/38/00/571293800.db2.gz DMSJJPVUPIAKFP-JOCHJYFZSA-N 0 3 415.533 5.395 50 0 HKAAHN Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2CN2CCCCC2)cc1 ZINC000071405266 571293871 /nfs/dbraw/zinc/29/38/71/571293871.db2.gz ZRHOORHRLISHGV-RUZDIDTESA-N 0 3 401.575 6.478 50 0 HKAAHN Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2CN2CCCCC2)cc1 ZINC000071405267 571293842 /nfs/dbraw/zinc/29/38/42/571293842.db2.gz ZRHOORHRLISHGV-VWLOTQADSA-N 0 3 401.575 6.478 50 0 HKAAHN COc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2CN2CCCCC2)cc1 ZINC000071405268 571293791 /nfs/dbraw/zinc/29/37/91/571293791.db2.gz XBAFRWPAEFXLCU-RUZDIDTESA-N 0 3 417.574 6.178 50 0 HKAAHN COc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2CN2CCCCC2)cc1 ZINC000071405269 571293817 /nfs/dbraw/zinc/29/38/17/571293817.db2.gz XBAFRWPAEFXLCU-VWLOTQADSA-N 0 3 417.574 6.178 50 0 HKAAHN CC(C)c1cc(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1 ZINC000071771840 558911336 /nfs/dbraw/zinc/91/13/36/558911336.db2.gz DTSPXGRQYHLKLO-UHFFFAOYSA-N 0 3 400.631 8.829 50 0 HKAAHN CN(C)c1ccccc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000071773615 558911567 /nfs/dbraw/zinc/91/15/67/558911567.db2.gz MILNYLCUWRWYBI-UHFFFAOYSA-N 0 3 421.609 6.797 50 0 HKAAHN Fc1ccc(CN2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)c2ncccc12 ZINC000071889685 557297630 /nfs/dbraw/zinc/29/76/30/557297630.db2.gz KXZKSMYNRGHHJC-FQEVSTJZSA-N 0 3 414.484 5.194 50 0 HKAAHN Fc1ccc(CN2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)c2ncccc12 ZINC000071889686 557297689 /nfs/dbraw/zinc/29/76/89/557297689.db2.gz KXZKSMYNRGHHJC-HXUWFJFHSA-N 0 3 414.484 5.194 50 0 HKAAHN CCn1c2ccccc2c2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000071930752 558782093 /nfs/dbraw/zinc/78/20/93/558782093.db2.gz VERBSFKNVSGHEP-UHFFFAOYSA-N 0 3 403.957 5.790 50 0 HKAAHN Cc1nc(-c2ccccc2)ccc1C(=O)N(c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000072300882 558750863 /nfs/dbraw/zinc/75/08/63/558750863.db2.gz LMFDNYNPFUJLCW-UHFFFAOYSA-N 0 3 419.956 5.451 50 0 HKAAHN COc1cccc(-c2nc3cc(SC)ccc3cc2CN2CCC[C@H](OC)C2)c1 ZINC000072407248 558977094 /nfs/dbraw/zinc/97/70/94/558977094.db2.gz WNJZIWJHFPFZIV-NRFANRHFSA-N 0 3 408.567 5.243 50 0 HKAAHN COc1cccc(-c2nc3cc(SC)ccc3cc2CN2CCC[C@@H](OC)C2)c1 ZINC000072407249 558977069 /nfs/dbraw/zinc/97/70/69/558977069.db2.gz WNJZIWJHFPFZIV-OAQYLSRUSA-N 0 3 408.567 5.243 50 0 HKAAHN COc1cccc(-c2nc3cc(SC)ccc3cc2CN2CCC(OC)CC2)c1 ZINC000072424944 558978941 /nfs/dbraw/zinc/97/89/41/558978941.db2.gz LJISXLOCGQPLFA-UHFFFAOYSA-N 0 3 408.567 5.243 50 0 HKAAHN Cc1cccc2cc(CN3CCC(Cn4ccnc4)CC3)c(-c3cccs3)nc12 ZINC000072463646 558983279 /nfs/dbraw/zinc/98/32/79/558983279.db2.gz GKCVHSTVAQKKAD-UHFFFAOYSA-N 0 3 402.567 5.380 50 0 HKAAHN Cc1cccc2cc(CN3CCC(Cn4cccn4)CC3)c(-c3cccs3)nc12 ZINC000072469365 558983327 /nfs/dbraw/zinc/98/33/27/558983327.db2.gz SDWYNADHRQVXBU-UHFFFAOYSA-N 0 3 402.567 5.380 50 0 HKAAHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)n1 ZINC000076954674 558998826 /nfs/dbraw/zinc/99/88/26/558998826.db2.gz DSXLYCMBGBIQMK-UHFFFAOYSA-N 0 3 419.956 5.561 50 0 HKAAHN O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccs1 ZINC000077555913 559009223 /nfs/dbraw/zinc/00/92/23/559009223.db2.gz SSLGZKOZUXOPBQ-MRXNPFEDSA-N 0 3 414.958 5.304 50 0 HKAAHN O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccs1 ZINC000077555920 559009157 /nfs/dbraw/zinc/00/91/57/559009157.db2.gz SSLGZKOZUXOPBQ-INIZCTEOSA-N 0 3 414.958 5.304 50 0 HKAAHN COc1cccc(CNCCCCc2nc(-c3cccnc3)cs2)c1OC(C)C ZINC000078869807 569420901 /nfs/dbraw/zinc/42/09/01/569420901.db2.gz QUTLSYNGNSZGNA-UHFFFAOYSA-N 0 3 411.571 5.113 50 0 HKAAHN FC(F)(F)Oc1ccccc1CNCCCCc1nc(-c2cccnc2)cs1 ZINC000078869811 569420982 /nfs/dbraw/zinc/42/09/82/569420982.db2.gz MJNVWXUPUSOILR-UHFFFAOYSA-N 0 3 407.461 5.216 50 0 HKAAHN CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000079067934 569426611 /nfs/dbraw/zinc/42/66/11/569426611.db2.gz XEQXWAKJRPHZNF-PKOBYXMFSA-N 0 3 417.500 5.286 50 0 HKAAHN CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000079067940 569426618 /nfs/dbraw/zinc/42/66/18/569426618.db2.gz XEQXWAKJRPHZNF-HKUYNNGSSA-N 0 3 417.500 5.286 50 0 HKAAHN FC(F)(F)[C@H]1CCCN(Cc2cccc(CN3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367269 568947491 /nfs/dbraw/zinc/94/74/91/568947491.db2.gz UHKBAYYJWFEDTL-ROUUACIJSA-N 0 3 408.430 5.235 50 0 HKAAHN FC(F)(F)[C@@H]1CCCN(Cc2cccc(CN3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947462 /nfs/dbraw/zinc/94/74/62/568947462.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 0 3 408.430 5.235 50 0 HKAAHN FC(F)(F)[C@H]1CCCN(Cc2ccc(CN3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398264 568948721 /nfs/dbraw/zinc/94/87/21/568948721.db2.gz JFVWSYMWJMWJKR-ROUUACIJSA-N 0 3 408.430 5.235 50 0 HKAAHN FC(F)(F)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398265 568948730 /nfs/dbraw/zinc/94/87/30/568948730.db2.gz JFVWSYMWJMWJKR-HDICACEKSA-N 0 3 408.430 5.235 50 0 HKAAHN Brc1ccccc1-c1nnc(CN2CCC[C@H]2CC2CCCCC2)o1 ZINC000084514882 568950027 /nfs/dbraw/zinc/95/00/27/568950027.db2.gz NBLSVFLNVPYIJK-INIZCTEOSA-N 0 3 404.352 5.434 50 0 HKAAHN Clc1cccc(-c2noc(CCN3CCCC[C@H]3c3nc4ccccc4o3)n2)c1 ZINC000084600287 568952443 /nfs/dbraw/zinc/95/24/43/568952443.db2.gz JEJPMZBYSWWVOI-SFHVURJKSA-N 0 3 408.889 5.301 50 0 HKAAHN Clc1cccc(-c2noc(CCN3CCCC[C@@H]3c3nc4ccccc4o3)n2)c1 ZINC000084600288 568952392 /nfs/dbraw/zinc/95/23/92/568952392.db2.gz JEJPMZBYSWWVOI-GOSISDBHSA-N 0 3 408.889 5.301 50 0 HKAAHN CCN(CC)Cc1ccc(-c2nnc(-c3cnc4onc(-c5ccccc5)c4c3)o2)o1 ZINC000084773474 568958824 /nfs/dbraw/zinc/95/88/24/568958824.db2.gz LYDOAWSOYFGGPS-UHFFFAOYSA-N 0 3 415.453 5.042 50 0 HKAAHN COc1ccc([C@@H]2C(C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000085428921 568989143 /nfs/dbraw/zinc/98/91/43/568989143.db2.gz PLONLJTTXZOZJN-FCHUYYIVSA-N 0 3 421.443 5.724 50 0 HKAAHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000089340280 569058616 /nfs/dbraw/zinc/05/86/16/569058616.db2.gz IQXZZPYGSBVMNM-UHFFFAOYSA-N 0 3 421.491 5.015 50 0 HKAAHN COc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc32)N2CCCC2)cc1 ZINC000089438854 569060363 /nfs/dbraw/zinc/06/03/63/569060363.db2.gz RTZFSUDGWCCLIG-OAQYLSRUSA-N 0 3 415.459 5.511 50 0 HKAAHN COc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc32)N2CCCC2)cc1 ZINC000089438859 569060388 /nfs/dbraw/zinc/06/03/88/569060388.db2.gz RTZFSUDGWCCLIG-NRFANRHFSA-N 0 3 415.459 5.511 50 0 HKAAHN Fc1ccc(CN2CCCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000089866629 569267406 /nfs/dbraw/zinc/26/74/06/569267406.db2.gz RSLBCRLELMLXKJ-UHFFFAOYSA-N 0 3 403.423 5.105 50 0 HKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992820 568593487 /nfs/dbraw/zinc/59/34/87/568593487.db2.gz ACIJKWWBIVPOHU-QHCPKHFHSA-N 0 3 419.569 5.452 50 0 HKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992821 568593481 /nfs/dbraw/zinc/59/34/81/568593481.db2.gz ACIJKWWBIVPOHU-HSZRJFAPSA-N 0 3 419.569 5.452 50 0 HKAAHN c1ccc(C(c2ccccc2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095398221 559081002 /nfs/dbraw/zinc/08/10/02/559081002.db2.gz FLOADUFBZDDTPV-UHFFFAOYSA-N 0 3 418.584 6.183 50 0 in-vitro HKAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 ZINC000095455321 568617043 /nfs/dbraw/zinc/61/70/43/568617043.db2.gz XUFJLBAHDWLEKP-HXUWFJFHSA-N 0 3 409.603 5.005 50 0 HKAAHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 ZINC000095455322 568616960 /nfs/dbraw/zinc/61/69/60/568616960.db2.gz XUFJLBAHDWLEKP-FQEVSTJZSA-N 0 3 409.603 5.005 50 0 HKAAHN COc1ccc(CCN[C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)cc1OC ZINC000095466805 568624434 /nfs/dbraw/zinc/62/44/34/568624434.db2.gz UKBFRJBAEDCKJD-QFIPXVFZSA-N 0 3 416.443 5.039 50 0 HKAAHN COc1ccc(CCN[C@H](c2ccncc2)c2cccc(C(F)(F)F)c2)cc1OC ZINC000095466806 568624268 /nfs/dbraw/zinc/62/42/68/568624268.db2.gz UKBFRJBAEDCKJD-JOCHJYFZSA-N 0 3 416.443 5.039 50 0 HKAAHN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CNCc1ccccc1 ZINC000095474385 568629422 /nfs/dbraw/zinc/62/94/22/568629422.db2.gz TXUYVYGCPPRREP-UHFFFAOYSA-N 0 3 410.473 5.508 50 0 HKAAHN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN(C)Cc1ccccc1 ZINC000095475512 568630088 /nfs/dbraw/zinc/63/00/88/568630088.db2.gz ZDDIYWGIPOJRSW-UHFFFAOYSA-N 0 3 424.500 5.850 50 0 HKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CNCc3ccccc3)cc(=O)oc2c1C ZINC000095475818 568630119 /nfs/dbraw/zinc/63/01/19/568630119.db2.gz LAIACZNLJCSANG-UHFFFAOYSA-N 0 3 424.500 5.816 50 0 HKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCCCCC3)cc(=O)oc2c1C ZINC000095478138 568631542 /nfs/dbraw/zinc/63/15/42/568631542.db2.gz VEORTQFUYGEBRW-UHFFFAOYSA-N 0 3 416.521 5.902 50 0 HKAAHN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN1CCCCCC1 ZINC000095478493 568631631 /nfs/dbraw/zinc/63/16/31/568631631.db2.gz RXTHMJLPRCKRLX-UHFFFAOYSA-N 0 3 402.494 5.594 50 0 HKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCCCC3)cc(=O)oc2c1C ZINC000095480218 568633207 /nfs/dbraw/zinc/63/32/07/568633207.db2.gz NTRRXEZASZWMIL-UHFFFAOYSA-N 0 3 402.494 5.512 50 0 HKAAHN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CCCCCC3)c2cc1C ZINC000095480407 568633115 /nfs/dbraw/zinc/63/31/15/568633115.db2.gz ZCPDLONOGCANMK-UHFFFAOYSA-N 0 3 416.521 5.902 50 0 HKAAHN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CNCc3ccccc3)c2cc1C ZINC000095480528 568633107 /nfs/dbraw/zinc/63/31/07/568633107.db2.gz ZLFRCBNGYXEZBS-UHFFFAOYSA-N 0 3 424.500 5.816 50 0 HKAAHN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CCCCC3)c2cc1C ZINC000095480809 568633459 /nfs/dbraw/zinc/63/34/59/568633459.db2.gz VQLLGYFPSUBQDF-UHFFFAOYSA-N 0 3 402.494 5.512 50 0 HKAAHN Cc1ccc(CNCc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000095642818 568640688 /nfs/dbraw/zinc/64/06/88/568640688.db2.gz FKDPPJLDRHYDSM-UHFFFAOYSA-N 0 3 422.594 5.029 50 0 HKAAHN CCc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000095918066 559088882 /nfs/dbraw/zinc/08/88/82/559088882.db2.gz ASKKWJDGSUFKIB-BYNJWEBRSA-N 0 3 411.589 6.703 50 0 HKAAHN Cl/C(=C(/c1ccccc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 ZINC000095918068 559088877 /nfs/dbraw/zinc/08/88/77/559088877.db2.gz GKUSQTYIFKVDAC-QPLCGJKRSA-N 0 3 403.953 6.317 50 0 HKAAHN CCCCCC/C(C)=C(\c1ccc(OC)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000095918073 559088891 /nfs/dbraw/zinc/08/88/91/559088891.db2.gz JKONFPZFFXFGSV-WEMUOSSPSA-N 0 3 421.625 6.962 50 0 HKAAHN C[C@@H](CN(C)C)Oc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccccc2)cc1 ZINC000095918092 559088918 /nfs/dbraw/zinc/08/89/18/559088918.db2.gz VOTIBLWBMGUNCK-ZFZZVZNFSA-N 0 3 402.494 5.209 50 0 HKAAHN C[C@H](CN(C)C)Oc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccccc2)cc1 ZINC000095918093 559088931 /nfs/dbraw/zinc/08/89/31/559088931.db2.gz VOTIBLWBMGUNCK-WWDJGNSZSA-N 0 3 402.494 5.209 50 0 HKAAHN Fc1ccc(C(CCCN2CC=C(Oc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000095918155 559088971 /nfs/dbraw/zinc/08/89/71/559088971.db2.gz NQMKLEUBUQOAFG-UHFFFAOYSA-N 0 3 419.515 6.546 50 0 HKAAHN FC(F)(F)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953784 568668430 /nfs/dbraw/zinc/66/84/30/568668430.db2.gz CFRFOCRTJYWZJH-ROUUACIJSA-N 0 3 408.430 5.235 50 0 HKAAHN FC(F)(F)[C@@H]1CCCN(Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668642 /nfs/dbraw/zinc/66/86/42/568668642.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 0 3 408.430 5.235 50 0 HKAAHN CCCSc1ccccc1N1CCN(CCCCC[C@H](O)c2ccccc2)CC1 ZINC000096026836 568686776 /nfs/dbraw/zinc/68/67/76/568686776.db2.gz XYLSUQUNRRPTNI-DEOSSOPVSA-N 0 3 412.643 5.605 50 0 HKAAHN CCCSc1ccccc1N1CCN(CCCCC[C@@H](O)c2ccccc2)CC1 ZINC000096026837 568686796 /nfs/dbraw/zinc/68/67/96/568686796.db2.gz XYLSUQUNRRPTNI-XMMPIXPASA-N 0 3 412.643 5.605 50 0 HKAAHN CCN(CC)CCOC(=O)c1ccccc1Nc1c(Cl)ccc(Cl)c1Cl ZINC000096027167 568686763 /nfs/dbraw/zinc/68/67/63/568686763.db2.gz FZXMVYIESBCPRP-UHFFFAOYSA-N 0 3 415.748 5.889 50 0 HKAAHN Brc1ccc(OCCN2CCC(CCCc3ccccc3)CC2)cc1 ZINC000096027235 568686674 /nfs/dbraw/zinc/68/66/74/568686674.db2.gz ZDXDBONHXMXLGE-UHFFFAOYSA-N 0 3 402.376 5.563 50 0 HKAAHN Cc1ncc(CN2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116463 568695936 /nfs/dbraw/zinc/69/59/36/568695936.db2.gz ODGOXZVVDBWWQX-UHFFFAOYSA-N 0 3 414.505 5.384 50 0 biogenic HKAAHN COc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1 ZINC000096281073 560848339 /nfs/dbraw/zinc/84/83/39/560848339.db2.gz RZUSPHVXOYATJB-UHFFFAOYSA-N 0 3 408.586 5.356 50 0 HKAAHN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000096592520 568763236 /nfs/dbraw/zinc/76/32/36/568763236.db2.gz HEXSYESDUNEATB-QFIPXVFZSA-N 0 3 407.966 6.291 50 0 HKAAHN O[C@H](CN(Cc1ccccc1)Cc1ccccc1)c1cc2cc(Cl)ccc2s1 ZINC000096592521 568763349 /nfs/dbraw/zinc/76/33/49/568763349.db2.gz HEXSYESDUNEATB-JOCHJYFZSA-N 0 3 407.966 6.291 50 0 HKAAHN COc1ccc([C@@H]2C(C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000096593685 568763534 /nfs/dbraw/zinc/76/35/34/568763534.db2.gz PLONLJTTXZOZJN-FGZHOGPDSA-N 0 3 421.443 5.724 50 0 HKAAHN COc1ccc([C@H]2C(C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000096593686 568763601 /nfs/dbraw/zinc/76/36/01/568763601.db2.gz PLONLJTTXZOZJN-YADHBBJMSA-N 0 3 421.443 5.724 50 0 HKAAHN COc1ccc([C@H]2C(C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000096593687 568763559 /nfs/dbraw/zinc/76/35/59/568763559.db2.gz PLONLJTTXZOZJN-VXKWHMMOSA-N 0 3 421.443 5.724 50 0 HKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cn(C3CCCC3)cc2s1 ZINC000097112667 558995039 /nfs/dbraw/zinc/99/50/39/558995039.db2.gz HNMJUGNQEMBHRQ-UHFFFAOYSA-N 0 3 407.583 5.212 50 0 HKAAHN CCCC[C@@H](CC)COC[C@H](CN(C)C)OC[C@@H](C)COC[C@@H](CC)CCCC ZINC000100706351 569359160 /nfs/dbraw/zinc/35/91/60/569359160.db2.gz OXQSXJOQFXUCQG-JBXUNAHCSA-N 0 3 415.703 6.035 50 0 HKAAHN COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659420 559147581 /nfs/dbraw/zinc/14/75/81/559147581.db2.gz VXHVUKKYMOSWJM-FLAUGNSNSA-N 0 3 401.550 5.612 50 0 HKAAHN CC(C)(C)N(C/C(N)=C/c1nc2ccccc2n1Cc1ccccc1)Cc1ccccc1 ZINC000101921676 559148480 /nfs/dbraw/zinc/14/84/80/559148480.db2.gz NAPMVUFPDJKXTH-MOHJPFBDSA-N 0 3 424.592 5.685 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696864 560731214 /nfs/dbraw/zinc/73/12/14/560731214.db2.gz FFNLFWCXKWZQKH-ADPKEXQPSA-N 0 3 420.424 6.963 50 0 HKAAHN CN(C)c1ccc(-n2cc(O)c(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1 ZINC000102721494 560821425 /nfs/dbraw/zinc/82/14/25/560821425.db2.gz ZMTSPUVBBWBNSZ-UHFFFAOYSA-N 0 3 410.930 5.296 50 0 HKAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103414024 560842093 /nfs/dbraw/zinc/84/20/93/560842093.db2.gz GVHRIGWZAPAXDC-NTLWEQJWSA-N 0 3 409.599 5.129 50 0 HKAAHN C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000103414027 560842087 /nfs/dbraw/zinc/84/20/87/560842087.db2.gz GVHRIGWZAPAXDC-WIRSXHRWSA-N 0 3 409.599 5.129 50 0 HKAAHN C[C@@H](NC(=O)[C@H](C)NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccc1 ZINC000103438320 560842366 /nfs/dbraw/zinc/84/23/66/560842366.db2.gz QVMKACNLTBORMR-FGSXEWAUSA-N 0 3 417.578 5.217 50 0 HKAAHN O[C@H](CN[C@@H](c1cccs1)c1ccc(F)cc1)CO[C@H]1CCCc2ccccc21 ZINC000103451683 560842457 /nfs/dbraw/zinc/84/24/57/560842457.db2.gz GPFNJXKIGXNQPX-JCTONOIOSA-N 0 3 411.542 5.021 50 0 HKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl ZINC000104092712 560848003 /nfs/dbraw/zinc/84/80/03/560848003.db2.gz SECHNLXDFGYFOW-DNVCBOLYSA-N 0 3 406.382 5.307 50 0 HKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000105013040 560860229 /nfs/dbraw/zinc/86/02/29/560860229.db2.gz VITAVNHDPDJDSG-PMACEKPBSA-N 0 3 407.558 5.169 50 0 HKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000105013046 560860217 /nfs/dbraw/zinc/86/02/17/560860217.db2.gz VITAVNHDPDJDSG-UXHICEINSA-N 0 3 407.558 5.169 50 0 HKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042040 571314335 /nfs/dbraw/zinc/31/43/35/571314335.db2.gz VBFKWXPKINHAET-OZXSUGGESA-N 0 3 415.581 5.090 50 0 HKAAHN CC[C@H](C)NC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000105046906 559162133 /nfs/dbraw/zinc/16/21/33/559162133.db2.gz SDXUVDJSRWGKQT-WMQCIHAUSA-N 0 3 416.968 5.308 50 0 HKAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000105046910 559162093 /nfs/dbraw/zinc/16/20/93/559162093.db2.gz SDXUVDJSRWGKQT-IOMROCGXSA-N 0 3 416.968 5.308 50 0 HKAAHN CC(C)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825751 559163074 /nfs/dbraw/zinc/16/30/74/559163074.db2.gz IMTMMGXRAMGUDP-GIBNYFNHSA-N 0 3 424.544 5.135 50 0 biogenic HKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013322 560878184 /nfs/dbraw/zinc/87/81/84/560878184.db2.gz FWIMWRAGFVUMJK-VCLDYQMPSA-N 0 3 403.541 6.152 50 0 HKAAHN CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000107153078 560895691 /nfs/dbraw/zinc/89/56/91/560895691.db2.gz XEQXWAKJRPHZNF-IEBWSBKVSA-N 0 3 417.500 5.286 50 0 HKAAHN CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000107153081 560895726 /nfs/dbraw/zinc/89/57/26/560895726.db2.gz XEQXWAKJRPHZNF-MJGOQNOKSA-N 0 3 417.500 5.286 50 0 HKAAHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000108959801 568420355 /nfs/dbraw/zinc/42/03/55/568420355.db2.gz BJXJWFCVTOYHJQ-OPYAIIAOSA-N 0 3 409.599 5.131 50 0 HKAAHN CC1(C)C=C(CN2CCc3ccccc3C2)c2ccccc2N1C(=O)c1ccccc1 ZINC000169681478 569127474 /nfs/dbraw/zinc/12/74/74/569127474.db2.gz WSRARBWLKLAVQZ-UHFFFAOYSA-N 0 3 408.545 5.567 50 0 HKAAHN Cc1nc(CN)ccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000170591321 569240716 /nfs/dbraw/zinc/24/07/16/569240716.db2.gz VYAGOXAOWFROBW-UHFFFAOYSA-N 0 3 420.271 5.339 50 0 HKAAHN FC(F)(F)[C@@H]1CCCN(Cc2ccccc2CN2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222118322 569039799 /nfs/dbraw/zinc/03/97/99/569039799.db2.gz CFRFOCRTJYWZJH-QZTJIDSGSA-N 0 3 408.430 5.235 50 0 HKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000225399830 568634153 /nfs/dbraw/zinc/63/41/53/568634153.db2.gz RHRFBNLAPOQNJE-OFVILXPXSA-N 0 3 415.512 5.008 50 0 HKAAHN O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689004 568778887 /nfs/dbraw/zinc/77/88/87/568778887.db2.gz BJLGJQUJVYEJFL-UHFFFAOYSA-N 0 3 420.553 5.217 50 0 HKAAHN O=C(CCc1c(Cl)cccc1Cl)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689082 568778853 /nfs/dbraw/zinc/77/88/53/568778853.db2.gz FYMAZDIERFUDSF-UHFFFAOYSA-N 0 3 423.409 5.037 50 0 HKAAHN O=C(c1ccc(-c2cccs2)cc1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689230 568779062 /nfs/dbraw/zinc/77/90/62/568779062.db2.gz RDRDHGPAUNUQAD-UHFFFAOYSA-N 0 3 408.592 5.140 50 0 HKAAHN FC(F)(F)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000229703424 569040609 /nfs/dbraw/zinc/04/06/09/569040609.db2.gz JFVWSYMWJMWJKR-QZTJIDSGSA-N 0 3 408.430 5.235 50 0 HKAAHN FC(F)(F)[C@@H]1CCCN(Cc2cccc(CN3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000229706359 569040575 /nfs/dbraw/zinc/04/05/75/569040575.db2.gz UHKBAYYJWFEDTL-QZTJIDSGSA-N 0 3 408.430 5.235 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(O)CCC ZINC000229811184 568715410 /nfs/dbraw/zinc/71/54/10/568715410.db2.gz FFNLFWCXKWZQKH-JDCJTOGASA-N 0 3 420.424 6.963 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000229869537 568715695 /nfs/dbraw/zinc/71/56/95/568715695.db2.gz FWIMWRAGFVUMJK-HYEPYWIQSA-N 0 3 403.541 6.152 50 0 HKAAHN CNCc1ccc(Oc2ccc(Br)cc2Br)cc1Cl ZINC000234417067 558610655 /nfs/dbraw/zinc/61/06/55/558610655.db2.gz JLOZJOWEGZUDIA-UHFFFAOYSA-N 0 3 405.517 5.377 50 0 HKAAHN CC(C)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242522222 569369833 /nfs/dbraw/zinc/36/98/33/569369833.db2.gz IMTMMGXRAMGUDP-MGDCHWCSSA-N 0 3 424.544 5.135 50 0 biogenic HKAAHN COc1ccccc1CN[C@H]1C(=C(c2ccccc2)c2ccccc2)N2CCC1CC2 ZINC000242687678 569369806 /nfs/dbraw/zinc/36/98/06/569369806.db2.gz UPBZQYHTKRKCSU-HHHXNRCGSA-N 0 3 410.561 5.339 50 0 HKAAHN COc1ccccc1CN[C@@H]1C(=C(c2ccccc2)c2ccccc2)N2CCC1CC2 ZINC000242687679 569369913 /nfs/dbraw/zinc/36/99/13/569369913.db2.gz UPBZQYHTKRKCSU-MHZLTWQESA-N 0 3 410.561 5.339 50 0 HKAAHN COc1ccccc1[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@H]1C ZINC000244866502 569370206 /nfs/dbraw/zinc/37/02/06/569370206.db2.gz VXHVUKKYMOSWJM-STGNFMFJSA-N 0 3 401.550 5.612 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000245245676 569370455 /nfs/dbraw/zinc/37/04/55/569370455.db2.gz FWIMWRAGFVUMJK-PXLWWVJOSA-N 0 3 403.541 6.152 50 0 HKAAHN C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2NC2CCCCCCCCCCC2)[C@H]1C ZINC000245254040 569370495 /nfs/dbraw/zinc/37/04/95/569370495.db2.gz YKSIZWWEVLYGSR-SDDHZKHCSA-N 0 3 424.673 7.229 50 0 HKAAHN C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2NC2CCCCCCCCCCC2)[C@H]1C ZINC000245254041 569370501 /nfs/dbraw/zinc/37/05/01/569370501.db2.gz YKSIZWWEVLYGSR-SEEQBUNISA-N 0 3 424.673 7.229 50 0 HKAAHN CC(C)C(=O)N(C[C@H]1CN(Cc2cccn2C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000245281227 571222713 /nfs/dbraw/zinc/22/27/13/571222713.db2.gz WFRIRJWMWLELPG-BVAGGSTKSA-N 0 3 421.629 5.058 50 0 HKAAHN CC(C)C(=O)N(C[C@@H]1CN(Cc2cccn2C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000245281229 571222559 /nfs/dbraw/zinc/22/25/59/571222559.db2.gz WFRIRJWMWLELPG-OZXSUGGESA-N 0 3 421.629 5.058 50 0 HKAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(O)CCC ZINC000245325288 569370575 /nfs/dbraw/zinc/37/05/75/569370575.db2.gz FFNLFWCXKWZQKH-CBELIFPFSA-N 0 3 420.424 6.963 50 0 HKAAHN CCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245326133 569370612 /nfs/dbraw/zinc/37/06/12/569370612.db2.gz JIMPELPXBXADEI-AHWCRGGASA-N 0 3 406.397 6.573 50 0 HKAAHN CCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245326136 569370602 /nfs/dbraw/zinc/37/06/02/569370602.db2.gz JIMPELPXBXADEI-BUYDQPTLSA-N 0 3 406.397 6.573 50 0 HKAAHN CCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245326140 569370605 /nfs/dbraw/zinc/37/06/05/569370605.db2.gz JIMPELPXBXADEI-GNJAYJQYSA-N 0 3 406.397 6.573 50 0 HKAAHN CCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245326143 569370609 /nfs/dbraw/zinc/37/06/09/569370609.db2.gz JIMPELPXBXADEI-YJARNICDSA-N 0 3 406.397 6.573 50 0 HKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248116119 569015040 /nfs/dbraw/zinc/01/50/40/569015040.db2.gz VBFKWXPKINHAET-JYFHCDHNSA-N 0 3 415.581 5.090 50 0 HKAAHN CCCC[C@@H](CC)COC[C@@H](CN(C)C)OC[C@@H](C)COC[C@@H](CC)CCCC ZINC000248267746 569371776 /nfs/dbraw/zinc/37/17/76/569371776.db2.gz OXQSXJOQFXUCQG-CXSMSNRLSA-N 0 3 415.703 6.035 50 0 HKAAHN CN(C)CCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 ZINC000252666392 569319073 /nfs/dbraw/zinc/31/90/73/569319073.db2.gz BIMDMCJUWJXNSQ-UHFFFAOYSA-N 0 3 416.388 5.163 50 0 HKAAHN CC(C)(C)c1cc([C@H](O)CN2c3ccccc3N3CCCN=C23)cc(C(C)(C)C)c1O ZINC000253470611 569381082 /nfs/dbraw/zinc/38/10/82/569381082.db2.gz PHZWGDUNMDHYAL-JOCHJYFZSA-N 0 3 421.585 5.107 50 0 HKAAHN CC(C)(C)c1cc([C@@H](O)CN2c3ccccc3N3CCCN=C23)cc(C(C)(C)C)c1O ZINC000253470612 569381109 /nfs/dbraw/zinc/38/11/09/569381109.db2.gz PHZWGDUNMDHYAL-QFIPXVFZSA-N 0 3 421.585 5.107 50 0 HKAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1 ZINC000253470645 569380991 /nfs/dbraw/zinc/38/09/91/569380991.db2.gz UKLHUJUCGLPMRU-UHFFFAOYSA-N 0 3 410.565 5.123 50 0 HKAAHN FC(F)(F)c1ccc(-c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)nc1 ZINC000263639936 569380874 /nfs/dbraw/zinc/38/08/74/569380874.db2.gz PEAHZNHGCACXPK-UHFFFAOYSA-N 0 3 411.471 5.085 50 0 HKAAHN Clc1ccc2cc(CNC[C@H]3COc4ccccc4O3)c(-c3ccsc3)nc2c1 ZINC000299766228 569382389 /nfs/dbraw/zinc/38/23/89/569382389.db2.gz HCGDZSOHAYVWHQ-IBGZPJMESA-N 0 3 422.937 5.546 50 0 HKAAHN Clc1ccc2cc(CNC[C@@H]3COc4ccccc4O3)c(-c3ccsc3)nc2c1 ZINC000299766230 569382371 /nfs/dbraw/zinc/38/23/71/569382371.db2.gz HCGDZSOHAYVWHQ-LJQANCHMSA-N 0 3 422.937 5.546 50 0 HKAAHN COc1ccc2cc(CNCc3cccc4ccccc43)c(-c3ccsc3)nc2c1 ZINC000299768583 569382286 /nfs/dbraw/zinc/38/22/86/569382286.db2.gz OLLFNGNMUPRHSI-UHFFFAOYSA-N 0 3 410.542 6.415 50 0 HKAAHN CN(C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1csc2ccccc21 ZINC000575619506 569038691 /nfs/dbraw/zinc/03/86/91/569038691.db2.gz GGPRIZWEDIUYHH-KRWDZBQOSA-N 0 3 407.461 5.345 50 0 HKAAHN CN(C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1csc2ccccc21 ZINC000575619507 569038742 /nfs/dbraw/zinc/03/87/42/569038742.db2.gz GGPRIZWEDIUYHH-QGZVFWFLSA-N 0 3 407.461 5.345 50 0 HKAAHN