smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN2CCN(C(=S)NCC(=O)NCc3ccccc3Cl)CC23CCCCC3)cc1 ZINC000002944254 194175815 /nfs/dbraw/zinc/17/58/15/194175815.db2.gz MKTDORNQVRMURM-UHFFFAOYSA-N 0 3 499.124 4.660 50 0 JJAAHN Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)c(C)c1 ZINC000002967816 194185285 /nfs/dbraw/zinc/18/52/85/194185285.db2.gz ILQBTJWDTHYRJX-QFIPXVFZSA-N 0 3 488.638 4.963 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NC1CCCCC1 ZINC000002967972 194185741 /nfs/dbraw/zinc/18/57/41/194185741.db2.gz HNQMELUSUNOWPA-OAQYLSRUSA-N 0 3 464.566 4.557 50 0 JJAAHN CCOc1ccccc1CNC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000009251642 194634674 /nfs/dbraw/zinc/63/46/74/194634674.db2.gz FANJFWABOFKIQS-UHFFFAOYSA-N 0 3 483.616 4.590 50 0 JJAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000012685378 195085767 /nfs/dbraw/zinc/08/57/67/195085767.db2.gz UTUGWPSKTQMAEX-UXHICEINSA-N 0 3 465.619 4.590 50 0 JJAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012846633 195152710 /nfs/dbraw/zinc/15/27/10/195152710.db2.gz WDXCXHJGTHVUJU-XMMPIXPASA-N 0 3 466.585 4.611 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccccc1 ZINC000020643210 195194127 /nfs/dbraw/zinc/19/41/27/195194127.db2.gz URBAIZBJVAJTCW-QFIPXVFZSA-N 0 3 489.000 4.938 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccccc1 ZINC000020643212 195194141 /nfs/dbraw/zinc/19/41/41/195194141.db2.gz URBAIZBJVAJTCW-JOCHJYFZSA-N 0 3 489.000 4.938 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCc1ccc(F)cc1 ZINC000020643245 195194248 /nfs/dbraw/zinc/19/42/48/195194248.db2.gz NFQVGBPMWJVKGG-JOCHJYFZSA-N 0 3 490.535 4.563 50 0 JJAAHN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000020727971 195208591 /nfs/dbraw/zinc/20/85/91/195208591.db2.gz DCGOIOHZSSHBPH-BWAHOGKJSA-N 0 3 479.621 4.782 50 0 JJAAHN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCCCCC1 ZINC000020903411 195243314 /nfs/dbraw/zinc/24/33/14/195243314.db2.gz PIQXQDMZKKLHML-LJAQVGFWSA-N 0 3 478.681 4.961 50 0 JJAAHN Cc1ccc(CN2CC[C@@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)C2)cc1 ZINC000020978075 195258589 /nfs/dbraw/zinc/25/85/89/195258589.db2.gz VVMWVYCADZBQDZ-INIZCTEOSA-N 0 3 485.553 4.531 50 0 JJAAHN COc1ccc(CCN(C)Cc2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)c(=O)[nH]2)cc1OC ZINC000020992990 195262721 /nfs/dbraw/zinc/26/27/21/195262721.db2.gz ITFXZADGEOIALO-FQEVSTJZSA-N 0 3 499.611 4.711 50 0 JJAAHN CCN1CCN(Cc2ccc(NC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C)cc2)CC1 ZINC000021914275 195331718 /nfs/dbraw/zinc/33/17/18/195331718.db2.gz JIXMXVIPCUHPFG-UHFFFAOYSA-N 0 3 486.595 4.542 50 0 JJAAHN CC(C)[C@H](NCC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 ZINC000057563034 195350823 /nfs/dbraw/zinc/35/08/23/195350823.db2.gz ZDUIKERSVMIHNC-FQEVSTJZSA-N 0 3 453.764 4.799 50 0 JJAAHN Cc1c(NC(=O)[C@H](C)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611538 195353625 /nfs/dbraw/zinc/35/36/25/195353625.db2.gz ALAJCMSTJNXVPA-CPJSRVTESA-N 0 3 462.638 4.997 50 0 JJAAHN O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057622211 195353939 /nfs/dbraw/zinc/35/39/39/195353939.db2.gz IKEQBVYTYQPMDF-UHFFFAOYSA-N 0 3 458.587 4.881 50 0 JJAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058169855 195370699 /nfs/dbraw/zinc/37/06/99/195370699.db2.gz NWTASIGSKNZIDQ-LJAQVGFWSA-N 0 3 480.612 4.912 50 0 JJAAHN Cc1cc(-c2cc(S(=O)(=O)NCC3CCN(Cc4cc(C)ccc4C)CC3)c(C)s2)n[nH]1 ZINC000096341465 130073649 /nfs/dbraw/zinc/07/36/49/130073649.db2.gz ILVGLGSFKYYSDY-UHFFFAOYSA-N 0 3 472.680 4.562 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000102862194 130334148 /nfs/dbraw/zinc/33/41/48/130334148.db2.gz NYMXESZBJXQADW-XPWALMASSA-N 0 3 490.581 4.901 50 0 JJAAHN CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014745534 519653040 /nfs/dbraw/zinc/65/30/40/519653040.db2.gz CKOQLUMQWHDAAA-UHFFFAOYSA-N 0 3 460.578 4.673 50 0 JJAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036149175 519717646 /nfs/dbraw/zinc/71/76/46/519717646.db2.gz DNCFBJSHZFZPON-RUZDIDTESA-N 0 3 463.622 4.978 50 0 JJAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4Br)c(C)c32)CC1 ZINC000033048459 519860925 /nfs/dbraw/zinc/86/09/25/519860925.db2.gz LPOZZJUQBVVTDE-UHFFFAOYSA-N 0 3 474.428 4.547 50 0 JJAAHN CCCC(=O)OC[C@@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036248932 519880772 /nfs/dbraw/zinc/88/07/72/519880772.db2.gz BYTDJOSZRMBVFO-QFIPXVFZSA-N 0 3 459.631 4.740 50 0 JJAAHN CCCC(=O)OC[C@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036248931 519881423 /nfs/dbraw/zinc/88/14/23/519881423.db2.gz BYTDJOSZRMBVFO-JOCHJYFZSA-N 0 3 459.631 4.740 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302417 520093433 /nfs/dbraw/zinc/09/34/33/520093433.db2.gz CBHHFPGJVZUEPY-QHCPKHFHSA-N 0 3 467.610 4.837 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307822 520155939 /nfs/dbraw/zinc/15/59/39/520155939.db2.gz JXOPOUCCRWKCBZ-JOCHJYFZSA-N 0 3 453.558 4.628 50 0 JJAAHN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016752106 520434365 /nfs/dbraw/zinc/43/43/65/520434365.db2.gz WOSAEXLIYVOECX-VWLOTQADSA-N 0 3 478.589 4.786 50 0 JJAAHN CCCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)CN(Cc2ccc(OC)c(OC)c2)C1 ZINC000014748469 520664322 /nfs/dbraw/zinc/66/43/22/520664322.db2.gz NIBJVFRHJNVWAV-WIOPSUGQSA-N 0 3 480.649 4.626 50 0 JJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)cc1 ZINC000008599032 520692100 /nfs/dbraw/zinc/69/21/00/520692100.db2.gz PHYSTVRQRSKHIT-UHFFFAOYSA-N 0 3 491.613 4.987 50 0 JJAAHN CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014746416 521527163 /nfs/dbraw/zinc/52/71/63/521527163.db2.gz JPUBVXCFVXSSSZ-UHFFFAOYSA-N 0 3 457.574 4.667 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)[C@@H](C)C(C)(C)O ZINC000036310283 521534852 /nfs/dbraw/zinc/53/48/52/521534852.db2.gz QKKIBLLNTBFVAE-UNMCSNQZSA-N 0 3 458.668 4.741 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004147850 521656016 /nfs/dbraw/zinc/65/60/16/521656016.db2.gz QWAOVVDXYJPXGJ-HJANBMFISA-N 0 3 465.682 4.509 50 0 JJAAHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)CC1 ZINC000033279082 521688699 /nfs/dbraw/zinc/68/86/99/521688699.db2.gz IXPFTSGITADDEM-UHFFFAOYSA-N 0 3 485.563 4.933 50 0 JJAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4nc(-c5ccccc5)no4)cc3)cc2)CC1 ZINC000033278938 521688853 /nfs/dbraw/zinc/68/88/53/521688853.db2.gz HRSWHJUQQKGPMD-UHFFFAOYSA-N 0 3 467.573 4.793 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2)CC1 ZINC000012352209 521699545 /nfs/dbraw/zinc/69/95/45/521699545.db2.gz UIVDJQZBHGTZJK-UHFFFAOYSA-N 0 3 453.542 4.854 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000018178279 521752707 /nfs/dbraw/zinc/75/27/07/521752707.db2.gz QKMPHTDEXTYPHQ-BHIFYINESA-N 0 3 476.554 4.511 50 0 JJAAHN COC(=O)c1sc2nc(CN(C)CCc3ccccn3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000014985562 522433379 /nfs/dbraw/zinc/43/33/79/522433379.db2.gz LLFHPISAERANFR-UHFFFAOYSA-N 0 3 480.615 4.775 50 0 JJAAHN CN(CCC1CCOCC1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012298774 522714359 /nfs/dbraw/zinc/71/43/59/522714359.db2.gz YVVJGZKCQVTGKQ-UHFFFAOYSA-N 0 3 450.623 4.661 50 0 JJAAHN COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1OCC(C)C ZINC000016741921 522934021 /nfs/dbraw/zinc/93/40/21/522934021.db2.gz KDRUKAVOHGTGSA-AREMUKBSSA-N 0 3 492.616 4.950 50 0 JJAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014743770 523289845 /nfs/dbraw/zinc/28/98/45/523289845.db2.gz XORNIAQRQTUBRK-UHFFFAOYSA-N 0 3 477.630 4.737 50 0 JJAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cc3ccccc3s1)CC2 ZINC000014751233 523290183 /nfs/dbraw/zinc/29/01/83/523290183.db2.gz NIFRFTXJRCPIRJ-UHFFFAOYSA-N 0 3 477.630 4.737 50 0 JJAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055536 523313205 /nfs/dbraw/zinc/31/32/05/523313205.db2.gz SQZAZGPMQUTLND-UHFFFAOYSA-N 0 3 454.014 4.708 50 0 JJAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000008602118 523313438 /nfs/dbraw/zinc/31/34/38/523313438.db2.gz QCGLDQADWMGTHL-UHFFFAOYSA-N 0 3 454.014 4.708 50 0 JJAAHN CN(Cc1[nH]nc2c1CCCCC2)C1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000012242607 523542326 /nfs/dbraw/zinc/54/23/26/523542326.db2.gz BLDIWPGZINZJQO-UHFFFAOYSA-N 0 3 489.639 4.849 50 0 JJAAHN CN(Cc1n[nH]c2c1CCCCC2)C1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000012242607 523542330 /nfs/dbraw/zinc/54/23/30/523542330.db2.gz BLDIWPGZINZJQO-UHFFFAOYSA-N 0 3 489.639 4.849 50 0 JJAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000014745937 523714731 /nfs/dbraw/zinc/71/47/31/523714731.db2.gz UNWXJWHEGWDDKZ-UHFFFAOYSA-N 0 3 493.007 4.856 50 0 JJAAHN CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014748496 523717271 /nfs/dbraw/zinc/71/72/71/523717271.db2.gz MMJHCJQWOIUGDW-UHFFFAOYSA-N 0 3 452.558 4.750 50 0 JJAAHN COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(C/C=C/c1ccccc1)CC2 ZINC000014743441 523801890 /nfs/dbraw/zinc/80/18/90/523801890.db2.gz XGLDCMBKFIAXAB-DHZHZOJOSA-N 0 3 483.612 4.798 50 0 JJAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000036309418 523873320 /nfs/dbraw/zinc/87/33/20/523873320.db2.gz CUNNTYHKLGTTOF-ZEYPLWLESA-N 0 3 458.668 4.599 50 0 JJAAHN COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccc(Oc4ccccc4)c2)CC3)cc1 ZINC000014733125 523944785 /nfs/dbraw/zinc/94/47/85/523944785.db2.gz OTKCKJZXZWXWSI-UHFFFAOYSA-N 0 3 499.611 4.959 50 0 JJAAHN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4cccc(Oc5ccccc5)c4)CC3)C2=O)cc1 ZINC000014740990 524019134 /nfs/dbraw/zinc/01/91/34/524019134.db2.gz AXIWDJNPGLABCP-UHFFFAOYSA-N 0 3 485.584 4.916 50 0 JJAAHN COc1ccc(CN2C(=O)N(C)C3(CCN([C@H](C)Cc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000014744050 524019526 /nfs/dbraw/zinc/01/95/26/524019526.db2.gz RUBWIXDKQXLVRW-GOSISDBHSA-N 0 3 489.538 4.574 50 0 JJAAHN COc1ccccc1C(=O)N(CCN(C)C)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036114319 524337699 /nfs/dbraw/zinc/33/76/99/524337699.db2.gz DFPTZZFMDIEQEF-UHFFFAOYSA-N 0 3 453.608 4.552 50 0 JJAAHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4c3)CC2)c(C)c1 ZINC000012282752 524440927 /nfs/dbraw/zinc/44/09/27/524440927.db2.gz BILDVYVJYVQECA-SZPZYZBQSA-N 0 3 476.617 4.783 50 0 JJAAHN C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000014883397 524720653 /nfs/dbraw/zinc/72/06/53/524720653.db2.gz KZPYNMBURYZDBI-NRFANRHFSA-N 0 3 472.585 4.992 50 0 JJAAHN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000046006663 524989858 /nfs/dbraw/zinc/98/98/58/524989858.db2.gz HLMKCQBINNNVJA-UHFFFAOYSA-N 0 3 497.643 4.759 50 0 JJAAHN Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000021654474 525012649 /nfs/dbraw/zinc/01/26/49/525012649.db2.gz CWLSLERXEKIYBS-UHFFFAOYSA-N 0 3 496.655 4.690 50 0 JJAAHN Cc1ccccc1Cc1nc2cccnc2n1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000012242605 525203308 /nfs/dbraw/zinc/20/33/08/525203308.db2.gz DUIGPYPPERSMCF-UHFFFAOYSA-N 0 3 454.574 4.939 50 0 JJAAHN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000021857233 525790692 /nfs/dbraw/zinc/79/06/92/525790692.db2.gz YPJBLSVPLKSOML-PMERELPUSA-N 0 3 484.644 4.579 50 0 JJAAHN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCCN1CCCCC1 ZINC000021864569 525794020 /nfs/dbraw/zinc/79/40/20/525794020.db2.gz JGHVLOQMPKTXKU-NDEPHWFRSA-N 0 3 480.653 4.678 50 0 JJAAHN COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(-c4ccccc4)cc2)CC3)c1 ZINC000014992502 525825896 /nfs/dbraw/zinc/82/58/96/525825896.db2.gz SUOLYEGGMFNHSH-NRFANRHFSA-N 0 3 481.600 4.503 50 0 JJAAHN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000065010148 525968522 /nfs/dbraw/zinc/96/85/22/525968522.db2.gz GRPOUWNZEYYEMY-UHFFFAOYSA-N 0 3 462.525 4.881 50 0 JJAAHN C[C@@H](c1cccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCN(C)C ZINC000014879330 526142721 /nfs/dbraw/zinc/14/27/21/526142721.db2.gz MJOLEKBPBPXRPG-FQEVSTJZSA-N 0 3 451.636 4.665 50 0 JJAAHN CSc1ccccc1C(=O)NCc1nc(-c2cccc(NC(=O)[C@H]3CCCN(C)C3)c2)oc1C ZINC000012245004 526151946 /nfs/dbraw/zinc/15/19/46/526151946.db2.gz UFARZPXSSMNQDK-IBGZPJMESA-N 0 3 478.618 4.582 50 0 JJAAHN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000033072861 526467151 /nfs/dbraw/zinc/46/71/51/526467151.db2.gz LRARLHGDQDNIMU-UHFFFAOYSA-N 0 3 485.607 4.722 50 0 JJAAHN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000033072563 526467644 /nfs/dbraw/zinc/46/76/44/526467644.db2.gz NGBRCFOMTPHXEF-UHFFFAOYSA-N 0 3 467.617 4.583 50 0 JJAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC[C@H]1CCCO ZINC000012464028 526706595 /nfs/dbraw/zinc/70/65/95/526706595.db2.gz DMDGSNNAESPBAH-VWLOTQADSA-N 0 3 450.623 4.540 50 0 JJAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000014990151 526802369 /nfs/dbraw/zinc/80/23/69/526802369.db2.gz KQEPUFOYSUCQFU-MUUNZHRXSA-N 0 3 494.607 4.694 50 0 JJAAHN Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997616 527037150 /nfs/dbraw/zinc/03/71/50/527037150.db2.gz MYHCZWQXEFZLIJ-BXUZGUMPSA-N 0 3 490.576 4.897 50 0 JJAAHN Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccc(F)c(F)c2)C4)cs1 ZINC000014988257 527037305 /nfs/dbraw/zinc/03/73/05/527037305.db2.gz FINUADFHLJLHCB-DOMZBBRYSA-N 0 3 472.586 4.758 50 0 JJAAHN Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997611 527037325 /nfs/dbraw/zinc/03/73/25/527037325.db2.gz MYHCZWQXEFZLIJ-RISCZKNCSA-N 0 3 490.576 4.897 50 0 JJAAHN O=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1 ZINC000014745047 527038344 /nfs/dbraw/zinc/03/83/44/527038344.db2.gz REYKAINXYONUOL-UHFFFAOYSA-N 0 3 468.601 4.513 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WHAJVCYLDHGSBY-UHFFFAOYSA-N 0 3 452.602 4.970 50 0 JJAAHN O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CCN(C2CCCCC2)CC1 ZINC000019372308 556347483 /nfs/dbraw/zinc/34/74/83/556347483.db2.gz ZHIGFOFKDARGBJ-OAQYLSRUSA-N 0 3 470.455 4.868 50 0 JJAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000032622875 556452745 /nfs/dbraw/zinc/45/27/45/556452745.db2.gz YZQQYWGRKQZWJZ-LJQANCHMSA-N 0 3 475.770 4.706 50 0 JJAAHN CN(C)CCN(Cc1ccco1)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000032954091 556568970 /nfs/dbraw/zinc/56/89/70/556568970.db2.gz SQKSLQHCFFZEMU-UHFFFAOYSA-N 0 3 450.926 4.854 50 0 JJAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000008590254 562942598 /nfs/dbraw/zinc/94/25/98/562942598.db2.gz LHPPYLHMMDGYTL-MRXNPFEDSA-N 0 3 452.580 4.586 50 0 JJAAHN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000008590334 562942647 /nfs/dbraw/zinc/94/26/47/562942647.db2.gz VNOWHXSTWFSUCH-LJQANCHMSA-N 0 3 478.501 4.932 50 0 JJAAHN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057314336 569596983 /nfs/dbraw/zinc/59/69/83/569596983.db2.gz ROVMKYFCUGHLJP-UHFFFAOYSA-N 0 3 479.049 4.718 50 0 JJAAHN Cc1nc2ccccc2n(Cc2ccc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cc2)c1=O ZINC000033005947 569614637 /nfs/dbraw/zinc/61/46/37/569614637.db2.gz UEVVGVBPHOCDHO-UHFFFAOYSA-N 0 3 498.602 4.534 50 0 JJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCC2)C(=O)C2CCCC2)s1 ZINC000033783420 569634883 /nfs/dbraw/zinc/63/48/83/569634883.db2.gz AKIOPVDMTMOUTO-UHFFFAOYSA-N 0 3 485.669 4.839 50 0 JJAAHN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3ccsc3)CC2)nc1 ZINC000034681710 569643509 /nfs/dbraw/zinc/64/35/09/569643509.db2.gz LQQSLHNZHXJXEG-UHFFFAOYSA-N 0 3 456.999 4.526 50 0 JJAAHN O=C(c1cccnc1Cl)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697727 569647693 /nfs/dbraw/zinc/64/76/93/569647693.db2.gz PKYLDHARQLDSSD-SQJMNOBHSA-N 0 3 478.999 4.552 50 0 JJAAHN O=C(c1ccc(F)cc1)N1C[C@@H](c2cccc(F)c2)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034698305 569647708 /nfs/dbraw/zinc/64/77/08/569647708.db2.gz IRHZXGMRPWLBJW-CUNXSJBXSA-N 0 3 479.546 4.782 50 0 JJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)CC4CCCC4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698453 569647761 /nfs/dbraw/zinc/64/77/61/569647761.db2.gz NGGZOLVYOVXBIJ-UFHPHHKVSA-N 0 3 479.640 4.779 50 0 JJAAHN COc1cccc(C(=O)N2C[C@@H](CN3CCN(c4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000034698412 569647842 /nfs/dbraw/zinc/64/78/42/569647842.db2.gz TXTJBSKVZDHKDV-UFHPHHKVSA-N 0 3 473.592 4.512 50 0 JJAAHN O=C(CC1CCCC1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698380 569647863 /nfs/dbraw/zinc/64/78/63/569647863.db2.gz LNWPODKRODJBLZ-YIXXDRMTSA-N 0 3 467.604 4.909 50 0 JJAAHN CC(C)(C)CC(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034830052 569663543 /nfs/dbraw/zinc/66/35/43/569663543.db2.gz MROAUEMLTCCGFS-SANMLTNESA-N 0 3 467.679 4.583 50 0 JJAAHN Cc1ccccc1C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034830055 569663665 /nfs/dbraw/zinc/66/36/65/569663665.db2.gz KXURGNWIFLIUAC-MUUNZHRXSA-N 0 3 487.669 4.769 50 0 JJAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1cccc(C)c1)C1CC1 ZINC000034836692 569666019 /nfs/dbraw/zinc/66/60/19/569666019.db2.gz FCSPOSRYCQJGQL-UHFFFAOYSA-N 0 3 457.666 4.968 50 0 JJAAHN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CC[NH+](C(C)C)CC3)N2)cc1OC ZINC000065298580 569670845 /nfs/dbraw/zinc/67/08/45/569670845.db2.gz GLLABBRZVZEAGH-FQEVSTJZSA-N 0 3 458.002 4.787 50 0 biogenic JJAAHN O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCC(N2CCCCC2)CC1 ZINC000071775266 569698094 /nfs/dbraw/zinc/69/80/94/569698094.db2.gz XTRJMQURHAZJBA-UHFFFAOYSA-N 0 3 471.573 4.801 50 0 JJAAHN COc1cccc(Cn2ncc3ccc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)cc32)c1 ZINC000035560029 569704011 /nfs/dbraw/zinc/70/40/11/569704011.db2.gz UACXDOYLFWPJSA-UHFFFAOYSA-N 0 3 486.591 4.874 50 0 JJAAHN C[C@H]1Oc2ccccc2OC1C(=O)N(CCn1cccn1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099443 569704835 /nfs/dbraw/zinc/70/48/35/569704835.db2.gz HGEHFEIJDCTXMP-JLTOFOAXSA-N 0 3 488.491 4.773 50 0 JJAAHN CCOc1ccc(OCc2ccc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)o2)cc1 ZINC000035657143 569705988 /nfs/dbraw/zinc/70/59/88/569705988.db2.gz HIDAOAUTUAXGQN-UHFFFAOYSA-N 0 3 464.606 4.984 50 0 JJAAHN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C(C)(C)CO ZINC000035842652 569714138 /nfs/dbraw/zinc/71/41/38/569714138.db2.gz LALJTYKRLSMLMF-UHFFFAOYSA-N 0 3 486.056 4.502 50 0 JJAAHN CCOC(=O)CCCN(CCC(C)C)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844980 569715614 /nfs/dbraw/zinc/71/56/14/569715614.db2.gz OYTWHGFWAXMMQF-UHFFFAOYSA-N 0 3 456.627 4.851 50 0 JJAAHN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871507 569718751 /nfs/dbraw/zinc/71/87/51/569718751.db2.gz KXICAUUNWVOIRH-UKILVPOCSA-N 0 3 471.567 4.670 50 0 JJAAHN CC(C)N1CCN(c2nc3nn(-c4ccc(Cl)c(Cl)c4)c(N)c3c(-c3ccccc3)n2)CC1 ZINC000035929556 569731382 /nfs/dbraw/zinc/73/13/82/569731382.db2.gz DZUHLNSVSVBOLJ-UHFFFAOYSA-N 0 3 482.419 4.902 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342037 569765234 /nfs/dbraw/zinc/76/52/34/569765234.db2.gz JEPNHJWGMWYHGQ-QHCPKHFHSA-N 0 3 455.574 4.968 50 0 JJAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000100713557 569767538 /nfs/dbraw/zinc/76/75/38/569767538.db2.gz UZERHSVQCGYKMO-RJGXRXQPSA-N 0 3 493.357 4.817 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](C=Cc3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100722319 569767911 /nfs/dbraw/zinc/76/79/11/569767911.db2.gz IOHXZAQEYNFZBB-BCHMAIJNSA-N 0 3 475.342 4.841 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100722368 569767938 /nfs/dbraw/zinc/76/79/38/569767938.db2.gz IPPSRKGTQIMDNV-YPAWHYETSA-N 0 3 479.330 4.509 50 0 JJAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036346560 569770128 /nfs/dbraw/zinc/77/01/28/569770128.db2.gz HZFRMNIPCQEKSQ-UWJYYQICSA-N 0 3 459.537 4.859 50 0 JJAAHN CC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000037277352 569782310 /nfs/dbraw/zinc/78/23/10/569782310.db2.gz MXBCGZGORPJMKP-UHFFFAOYSA-N 0 3 482.713 4.688 50 0 JJAAHN COc1ccc(-n2nc3nc(NCCN4CCCCC4)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037359023 569783767 /nfs/dbraw/zinc/78/37/67/569783767.db2.gz KRCBTKPBKLZLLV-UHFFFAOYSA-N 0 3 478.000 4.625 50 0 JJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000101165214 569785449 /nfs/dbraw/zinc/78/54/49/569785449.db2.gz GAZHQWQMDQVGHO-SMIHKQSGSA-N 0 3 478.932 4.717 50 0 JJAAHN CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000101226121 569787534 /nfs/dbraw/zinc/78/75/34/569787534.db2.gz YQRGJUQFSZDSIT-PFBJBMPXSA-N 0 3 477.520 4.849 50 0 JJAAHN CC1CCN([C@H](CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995538 569813437 /nfs/dbraw/zinc/81/34/37/569813437.db2.gz JNMMCKMRMILIFO-IFMALSPDSA-N 0 3 454.640 4.581 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000102695398 569816027 /nfs/dbraw/zinc/81/60/27/569816027.db2.gz KVVBYYXTADNERO-BHDDXSALSA-N 0 3 479.330 4.509 50 0 JJAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102705435 569816384 /nfs/dbraw/zinc/81/63/84/569816384.db2.gz FPNWRGDFUMDEGI-YPAWHYETSA-N 0 3 463.331 4.809 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000102706868 569816642 /nfs/dbraw/zinc/81/66/42/569816642.db2.gz GFQWHWVNLBRFGB-PWRODBHTSA-N 0 3 455.297 4.750 50 0 JJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)c1 ZINC000102717837 569817128 /nfs/dbraw/zinc/81/71/28/569817128.db2.gz IDGHCYMBHQVNLW-YPAWHYETSA-N 0 3 463.331 4.809 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000102717292 569817180 /nfs/dbraw/zinc/81/71/80/569817180.db2.gz PWHWIYMQADEYQQ-XPWALMASSA-N 0 3 493.357 4.899 50 0 JJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@H]3C2=O)c1 ZINC000102717836 569817195 /nfs/dbraw/zinc/81/71/95/569817195.db2.gz IDGHCYMBHQVNLW-BHIFYINESA-N 0 3 463.331 4.809 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102726848 569817833 /nfs/dbraw/zinc/81/78/33/569817833.db2.gz OJZQFGFBAHCNDF-PCCBWWKXSA-N 0 3 456.395 4.896 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102729545 569817961 /nfs/dbraw/zinc/81/79/61/569817961.db2.gz ICACOPHHXSRWJD-JIMJEQGWSA-N 0 3 450.494 4.900 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)ccc4OC)[C@@H]3C2=O)cc1 ZINC000102732371 569818300 /nfs/dbraw/zinc/81/83/00/569818300.db2.gz JSTRPIUJDBQWBQ-KKUQBAQOSA-N 0 3 488.540 4.544 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102761067 569822085 /nfs/dbraw/zinc/82/20/85/569822085.db2.gz PRCFAYVJKTVJGO-UBFVSLLYSA-N 0 3 476.504 4.674 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102766666 569823151 /nfs/dbraw/zinc/82/31/51/569823151.db2.gz KCPNSCLXHOLDPK-YPAWHYETSA-N 0 3 479.330 4.509 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102767907 569823180 /nfs/dbraw/zinc/82/31/80/569823180.db2.gz YZYFGUQOTPCHLL-PWRODBHTSA-N 0 3 456.395 4.896 50 0 JJAAHN CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000105780063 569853381 /nfs/dbraw/zinc/85/33/81/569853381.db2.gz VMRBFEVPGQPSCR-APWZRJJASA-N 0 3 461.400 4.764 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C(=O)C2ON1c1ccccc1 ZINC000137538486 569864951 /nfs/dbraw/zinc/86/49/51/569864951.db2.gz AIBHKCYLLCQTEJ-YTFSRNRJSA-N 0 3 493.357 4.817 50 0 JJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)c1 ZINC000137609082 569865103 /nfs/dbraw/zinc/86/51/03/569865103.db2.gz IDGHCYMBHQVNLW-FDFHNCONSA-N 0 3 463.331 4.809 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000137607618 569865112 /nfs/dbraw/zinc/86/51/12/569865112.db2.gz DTCMDRMUZCKVQO-BHDDXSALSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1OC ZINC000137796386 569865249 /nfs/dbraw/zinc/86/52/49/569865249.db2.gz FQBIEQVUWIYORW-WMTXJRDZSA-N 0 3 478.932 4.717 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2C)c(OC)c1 ZINC000138598549 569866022 /nfs/dbraw/zinc/86/60/22/569866022.db2.gz OUCXTBPREUSLHD-RBZQAINGSA-N 0 3 478.932 4.717 50 0 JJAAHN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169677744 569868968 /nfs/dbraw/zinc/86/89/68/569868968.db2.gz JJZBCNJDHMORGL-GGAORHGYSA-N 0 3 477.596 4.731 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000169678856 569869316 /nfs/dbraw/zinc/86/93/16/569869316.db2.gz XBXRJYAQGONOTI-JYFHCDHNSA-N 0 3 496.648 4.708 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680119 569870230 /nfs/dbraw/zinc/87/02/30/569870230.db2.gz JFDGWYCSRWECLC-NZQKXSOJSA-N 0 3 467.610 4.980 50 0 JJAAHN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCCN3CCCC[C@@H]23)CO4)cc1 ZINC000229704815 570040920 /nfs/dbraw/zinc/04/09/20/570040920.db2.gz DUNRUTJASQTNJK-BWKNWUBXSA-N 0 3 460.574 4.885 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000229976689 570042965 /nfs/dbraw/zinc/04/29/65/570042965.db2.gz UCAUEEWOGIPRCQ-JIMJEQGWSA-N 0 3 488.540 4.544 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000238899349 570047291 /nfs/dbraw/zinc/04/72/91/570047291.db2.gz FWQFECJWKWTCSZ-YPAWHYETSA-N 0 3 476.554 4.511 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000238924067 570048030 /nfs/dbraw/zinc/04/80/30/570048030.db2.gz QRLPNUQHXAAXTP-NJDAHSKKSA-N 0 3 496.972 4.856 50 0 JJAAHN 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4.717 50 0 JJAAHN CCCCN(C)C(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@@H](C)C1 ZINC000012036107 555889155 /nfs/dbraw/zinc/88/91/55/555889155.db2.gz CIZIGGXXQOFIOO-HXUWFJFHSA-N 0 3 452.595 4.952 50 0 JJAAHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)c(C)c1 ZINC000012037578 555890763 /nfs/dbraw/zinc/89/07/63/555890763.db2.gz DUVFLBJIFIVXEY-UHFFFAOYSA-N 0 3 464.631 4.722 50 0 JJAAHN C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041105 555893771 /nfs/dbraw/zinc/89/37/71/555893771.db2.gz GXTLJHFHZIEEMN-HSZRJFAPSA-N 0 3 479.628 4.813 50 0 JJAAHN CCOc1cc(CN2CCC3(C[C@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)ccc1OC ZINC000012129088 555911085 /nfs/dbraw/zinc/91/10/85/555911085.db2.gz SPIKRYZWSCQMHO-IBGZPJMESA-N 0 3 458.986 4.997 50 0 JJAAHN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCN1CCCCC1 ZINC000015675637 555934196 /nfs/dbraw/zinc/93/41/96/555934196.db2.gz CUDWGKSZWNMFKZ-MHZLTWQESA-N 0 3 468.642 4.554 50 0 JJAAHN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCN1CCCCC1 ZINC000015675639 555934288 /nfs/dbraw/zinc/93/42/88/555934288.db2.gz CUDWGKSZWNMFKZ-HHHXNRCGSA-N 0 3 468.642 4.554 50 0 JJAAHN CCn1cc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c(C)n1 ZINC000012196379 555942362 /nfs/dbraw/zinc/94/23/62/555942362.db2.gz YEAZICLEKMRYSV-XMMPIXPASA-N 0 3 450.652 4.868 50 0 JJAAHN Cc1cccc(N2CCN(CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C[C@@H]2C)c1 ZINC000015727127 555966312 /nfs/dbraw/zinc/96/63/12/555966312.db2.gz HCGHITBZEOLBQC-QHCPKHFHSA-N 0 3 489.664 4.688 50 0 JJAAHN CN(C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 ZINC000015727907 555967169 /nfs/dbraw/zinc/96/71/69/555967169.db2.gz YMEWEKWBLFAUIO-UHFFFAOYSA-N 0 3 463.509 4.550 50 0 JJAAHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000012383490 555971468 /nfs/dbraw/zinc/97/14/68/555971468.db2.gz YCFSCTSMWHIZHJ-INIZCTEOSA-N 0 3 453.384 4.664 50 0 JJAAHN C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000012383489 555971586 /nfs/dbraw/zinc/97/15/86/555971586.db2.gz HZSSVFWHQZPVCS-MRXNPFEDSA-N 0 3 453.384 4.664 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3csc(-c4cccc(OC)c4OC)n3)c(C)c2)CC1 ZINC000012527891 555996392 /nfs/dbraw/zinc/99/63/92/555996392.db2.gz LVLNPLPHNNPXJX-UHFFFAOYSA-N 0 3 466.607 4.530 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334412 556044002 /nfs/dbraw/zinc/04/40/02/556044002.db2.gz YDOZLNRDTHNSKY-VWLOTQADSA-N 0 3 457.622 4.948 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023334412 556044005 /nfs/dbraw/zinc/04/40/05/556044005.db2.gz YDOZLNRDTHNSKY-VWLOTQADSA-N 0 3 457.622 4.948 50 0 JJAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccccc1C(F)(F)F ZINC000012572486 556073921 /nfs/dbraw/zinc/07/39/21/556073921.db2.gz BAMPKPFGOJQBMY-INIZCTEOSA-N 0 3 454.876 4.758 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000016000335 556104926 /nfs/dbraw/zinc/10/49/26/556104926.db2.gz ZKNBHWFVWAVUHP-YIPGRGJBSA-N 0 3 466.512 4.696 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000016000581 556105244 /nfs/dbraw/zinc/10/52/44/556105244.db2.gz GTXSJEFBMPBIQJ-XVOBZGQLSA-N 0 3 468.940 4.902 50 0 JJAAHN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000012804810 556114573 /nfs/dbraw/zinc/11/45/73/556114573.db2.gz QFSPVXJODDPWPL-UHFFFAOYSA-N 0 3 464.635 4.907 50 0 JJAAHN Cc1csc(SCc2c3ccccc3oc2C(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000024086875 556120978 /nfs/dbraw/zinc/12/09/78/556120978.db2.gz KMZGMNCLGNAIOU-UHFFFAOYSA-N 0 3 450.589 4.847 50 0 JJAAHN CC1CCN([C@H](CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c2cccs2)CC1 ZINC000012997928 556190611 /nfs/dbraw/zinc/19/06/11/556190611.db2.gz ZKHQGCMKKLFRCS-GOSISDBHSA-N 0 3 498.699 4.837 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3sc(NC(=O)c4ccco4)cc3C)c(C)c2)CC1 ZINC000026073312 556240602 /nfs/dbraw/zinc/24/06/02/556240602.db2.gz LATPBKFTMLFBJH-UHFFFAOYSA-N 0 3 452.580 4.604 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C(=O)C2ON1c1ccccc1 ZINC000017824516 556267686 /nfs/dbraw/zinc/26/76/86/556267686.db2.gz AIBHKCYLLCQTEJ-ZRBLBEILSA-N 0 3 493.357 4.817 50 0 JJAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018019214 556277210 /nfs/dbraw/zinc/27/72/10/556277210.db2.gz VQDFGVYMOGRAHB-HHHXNRCGSA-N 0 3 457.618 4.891 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)C2ON1c1ccccc1 ZINC000018192607 556301296 /nfs/dbraw/zinc/30/12/96/556301296.db2.gz ZYUISDLOMKBHPH-ZRBLBEILSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2CN2CCOCC2)cc1 ZINC000013113463 556318130 /nfs/dbraw/zinc/31/81/30/556318130.db2.gz JIKLBHWDBDGWQL-UHFFFAOYSA-N 0 3 468.601 4.670 50 0 JJAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000013127742 556344421 /nfs/dbraw/zinc/34/44/21/556344421.db2.gz GHJLDHVNGGAWQY-RUZDIDTESA-N 0 3 454.574 4.640 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c(C)c2)CC1 ZINC000032719536 556474281 /nfs/dbraw/zinc/47/42/81/556474281.db2.gz FZFDSTFXLWTNHB-MHZLTWQESA-N 0 3 469.585 4.843 50 0 JJAAHN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@@H](C)CCN1CCN(c2ccccc2)CC1 ZINC000032916674 556541033 /nfs/dbraw/zinc/54/10/33/556541033.db2.gz BIPSHZIKKUNOEN-NRFANRHFSA-N 0 3 486.620 4.603 50 0 JJAAHN Brc1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000008613468 562948078 /nfs/dbraw/zinc/94/80/78/562948078.db2.gz MPKOXFXDJKNRDT-UHFFFAOYSA-N 0 3 456.369 4.567 50 0 JJAAHN CCOc1ccc(C(=O)[C@H](CC[C@@H](CN(C)C)C(=O)c2ccc(OCC)cc2)CN(C)C)cc1 ZINC000008691051 562954006 /nfs/dbraw/zinc/95/40/06/562954006.db2.gz GLPYUDVIUIXMCD-PSWAGMNNSA-N 0 3 468.638 4.685 50 0 JJAAHN C[C@H]1C[C@H](OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431533 569589469 /nfs/dbraw/zinc/58/94/69/569589469.db2.gz QNYKNOXEGLLUAM-ZTCOLXNVSA-N 0 3 492.660 4.740 50 0 JJAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1I ZINC000055529413 569592090 /nfs/dbraw/zinc/59/20/90/569592090.db2.gz BOWDBMZLEJJNQG-UHFFFAOYSA-N 0 3 497.380 4.866 50 0 JJAAHN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000057254357 569594959 /nfs/dbraw/zinc/59/49/59/569594959.db2.gz MTIDZJASUDQVFA-UHFFFAOYSA-N 0 3 495.048 4.798 50 0 JJAAHN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1C ZINC000057251261 569595010 /nfs/dbraw/zinc/59/50/10/569595010.db2.gz XDDGBVVJSAGZSQ-UHFFFAOYSA-N 0 3 458.631 4.752 50 0 JJAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057256205 569595015 /nfs/dbraw/zinc/59/50/15/569595015.db2.gz YLRMWGSKFXWGGQ-NDEPHWFRSA-N 0 3 470.592 4.873 50 0 biogenic JJAAHN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057296841 569596120 /nfs/dbraw/zinc/59/61/20/569596120.db2.gz KCLXCLUSSPXQHQ-UHFFFAOYSA-N 0 3 467.573 4.630 50 0 JJAAHN C[C@H]1CCc2c(sc3nc(CCN4CCCN(c5ccc(C(F)(F)F)cn5)CC4)nc(N)c23)C1 ZINC000008718764 569597174 /nfs/dbraw/zinc/59/71/74/569597174.db2.gz PYKAOOMXPZGHBA-HNNXBMFYSA-N 0 3 490.599 4.567 50 0 JJAAHN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000060355298 569608785 /nfs/dbraw/zinc/60/87/85/569608785.db2.gz ZXVMNUFYKOVGMC-UHFFFAOYSA-N 0 3 456.512 4.672 50 0 JJAAHN O=C(c1ccc2c(c1)NC(=O)CS2)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000062580655 569611708 /nfs/dbraw/zinc/61/17/08/569611708.db2.gz ORZLLLUSKJLTHH-UHFFFAOYSA-N 0 3 464.418 4.776 50 0 JJAAHN Cc1ccc(CN2CCC(CNC(=O)c3cccc(NC(=O)c4nnc(C5CC5)s4)c3)CC2)cc1 ZINC000033023060 569619449 /nfs/dbraw/zinc/61/94/49/569619449.db2.gz AERRTNBSOSDWMS-UHFFFAOYSA-N 0 3 489.645 4.618 50 0 JJAAHN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000033331708 569624236 /nfs/dbraw/zinc/62/42/36/569624236.db2.gz VSHKJGLVEWLCJJ-NDEPHWFRSA-N 0 3 490.673 4.641 50 0 JJAAHN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000034679776 569642786 /nfs/dbraw/zinc/64/27/86/569642786.db2.gz VNOPTKCLKJNSPD-UHFFFAOYSA-N 0 3 469.629 4.987 50 0 JJAAHN Cc1ccc(C(=O)N2C[C@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697670 569647544 /nfs/dbraw/zinc/64/75/44/569647544.db2.gz BIBQDEBNNDMLLW-LBNVMWSVSA-N 0 3 457.593 4.812 50 0 JJAAHN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000034725501 569652790 /nfs/dbraw/zinc/65/27/90/569652790.db2.gz UPBULJBZFRZSGD-UHFFFAOYSA-N 0 3 473.617 4.759 50 0 JJAAHN COc1ccc(-c2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)no2)cc1 ZINC000065062882 569656348 /nfs/dbraw/zinc/65/63/48/569656348.db2.gz DYMSHFPLESVXHE-UHFFFAOYSA-N 0 3 474.586 4.868 50 0 JJAAHN CCN1CCN(c2c(CN(Cc3cccc(OC)c3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836393 569665209 /nfs/dbraw/zinc/66/52/09/569665209.db2.gz HCZZDFXJYDVODQ-UHFFFAOYSA-N 0 3 479.644 4.881 50 0 JJAAHN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CN(Cc1ccco1)[C@@H](C)CC ZINC000034836332 569665306 /nfs/dbraw/zinc/66/53/06/569665306.db2.gz PEVFVDFCRORQCL-FQEVSTJZSA-N 0 3 453.606 4.719 50 0 JJAAHN CCc1nn(-c2ccc(F)cc2)c(N2CCN(CC)CC2)c1CN(CC)Cc1cccc(OC)c1 ZINC000034836362 569665320 /nfs/dbraw/zinc/66/53/20/569665320.db2.gz PWYQFBHEWSTXDC-UHFFFAOYSA-N 0 3 479.644 4.746 50 0 JJAAHN CCCC[C@H](CC)C(=O)N(CCN(C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921489 569672414 /nfs/dbraw/zinc/67/24/14/569672414.db2.gz TYVWPNTZWAGDOP-NRFANRHFSA-N 0 3 478.630 4.700 50 0 JJAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](Cc2ccccc2)N[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000035365941 569682654 /nfs/dbraw/zinc/68/26/54/569682654.db2.gz ACYBQSBJXJYONJ-PGKWVRKKSA-N 0 3 490.003 4.972 50 0 biogenic JJAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCCc4c[nH]c5ccc(Cl)cc45)c(C)c32)CC1 ZINC000035428630 569694735 /nfs/dbraw/zinc/69/47/35/569694735.db2.gz LLOYSXUQNDUJFX-UHFFFAOYSA-N 0 3 497.068 4.639 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000035454010 569697432 /nfs/dbraw/zinc/69/74/32/569697432.db2.gz PCYHAGZLQZDANN-UHFFFAOYSA-N 0 3 455.606 4.528 50 0 JJAAHN Cc1c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000035454792 569697526 /nfs/dbraw/zinc/69/75/26/569697526.db2.gz DJVJRKRGLKXSOP-UHFFFAOYSA-N 0 3 484.691 4.763 50 0 JJAAHN O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCC(CN2CCCC2)CC1 ZINC000071775275 569698165 /nfs/dbraw/zinc/69/81/65/569698165.db2.gz MYAGXTYSBVHMGG-UHFFFAOYSA-N 0 3 471.573 4.658 50 0 JJAAHN CCCN1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000035561576 569704597 /nfs/dbraw/zinc/70/45/97/569704597.db2.gz GYOMVTDTLXHTJJ-UHFFFAOYSA-N 0 3 476.640 4.595 50 0 JJAAHN COc1ccc(OC[C@@H](O)CN(CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000035840563 569713787 /nfs/dbraw/zinc/71/37/87/569713787.db2.gz ZBMDOOLBSXAQMX-VWLOTQADSA-N 0 3 454.586 4.972 50 0 JJAAHN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C5CCCC5)CC4)c23)C1 ZINC000035892927 569722499 /nfs/dbraw/zinc/72/24/99/569722499.db2.gz DZHCIEASEUBIHZ-UHFFFAOYSA-N 0 3 461.679 4.725 50 0 JJAAHN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908088 569723786 /nfs/dbraw/zinc/72/37/86/569723786.db2.gz JJZBCNJDHMORGL-JTHBVZDNSA-N 0 3 477.596 4.731 50 0 JJAAHN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908081 569723864 /nfs/dbraw/zinc/72/38/64/569723864.db2.gz BFKXPQQAJYTDHD-ISKFKSNPSA-N 0 3 475.530 4.766 50 0 JJAAHN COc1ccc(CN2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925693 569728988 /nfs/dbraw/zinc/72/89/88/569728988.db2.gz RYOUWKUDYWUTRD-UHFFFAOYSA-N 0 3 470.621 4.735 50 0 JJAAHN COc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)c1 ZINC000036312679 569760226 /nfs/dbraw/zinc/76/02/26/569760226.db2.gz UNJVRHRGVKVZEH-UHFFFAOYSA-N 0 3 462.594 4.545 50 0 JJAAHN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)C(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340273 569763845 /nfs/dbraw/zinc/76/38/45/569763845.db2.gz JSHRFHIWPVFEHS-RUZDIDTESA-N 0 3 465.041 4.835 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](C=Cc3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100628143 569765771 /nfs/dbraw/zinc/76/57/71/569765771.db2.gz IOHXZAQEYNFZBB-CHRNNGLESA-N 0 3 475.342 4.841 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000100626319 569765851 /nfs/dbraw/zinc/76/58/51/569765851.db2.gz OVBRODNAMZDVAL-VXNXHJTFSA-N 0 3 478.932 4.717 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346237 569769195 /nfs/dbraw/zinc/76/91/95/569769195.db2.gz GPRGZWPODRIBEO-HSZRJFAPSA-N 0 3 455.574 4.968 50 0 JJAAHN COc1ccccc1-c1nc(NCCN2CCCCC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037357873 569783623 /nfs/dbraw/zinc/78/36/23/569783623.db2.gz XEIGUFTYOYHTIT-UHFFFAOYSA-N 0 3 478.000 4.625 50 0 JJAAHN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCN1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037359052 569783777 /nfs/dbraw/zinc/78/37/77/569783777.db2.gz STCXGLCPZVNJJC-UHFFFAOYSA-N 0 3 465.964 4.755 50 0 JJAAHN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCN1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376750 569784315 /nfs/dbraw/zinc/78/43/15/569784315.db2.gz RSDUMLFHQDNMJV-UHFFFAOYSA-N 0 3 483.954 4.894 50 0 JJAAHN CC(C)c1ccc(-c2nc(NCCN3CCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037376117 569784355 /nfs/dbraw/zinc/78/43/55/569784355.db2.gz UYCJVNJXTSAASI-UHFFFAOYSA-N 0 3 459.573 4.835 50 0 JJAAHN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101408123 569796923 /nfs/dbraw/zinc/79/69/23/569796923.db2.gz HFNDRSCDTGRHFB-UHFFFAOYSA-N 0 3 487.644 4.629 50 0 JJAAHN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)NCCN1CCCC1 ZINC000037600865 569797002 /nfs/dbraw/zinc/79/70/02/569797002.db2.gz JQDRFBHINORMFR-UHFFFAOYSA-N 0 3 477.555 4.566 50 0 JJAAHN Cc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCCCC4)N32)c1 ZINC000101919989 569807903 /nfs/dbraw/zinc/80/79/03/569807903.db2.gz OUACGPOZZTZXDW-VWLOTQADSA-N 0 3 496.677 4.514 50 0 JJAAHN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCCCC4)N32)cc1 ZINC000101920222 569807924 /nfs/dbraw/zinc/80/79/24/569807924.db2.gz NWTYMXREERMLSA-VWLOTQADSA-N 0 3 496.677 4.514 50 0 JJAAHN CC1CCN([C@@H](CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995539 569813404 /nfs/dbraw/zinc/81/34/04/569813404.db2.gz JNMMCKMRMILIFO-UNMCSNQZSA-N 0 3 454.640 4.581 50 0 JJAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000040059530 569815205 /nfs/dbraw/zinc/81/52/05/569815205.db2.gz NOPHRONXYFZSRV-QHCPKHFHSA-N 0 3 461.631 4.645 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102707640 569816536 /nfs/dbraw/zinc/81/65/36/569816536.db2.gz PCGMEDOSPGFPJK-BHDDXSALSA-N 0 3 452.869 4.539 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)ccc4OC)[C@H]3C2=O)cc1 ZINC000102732376 569818291 /nfs/dbraw/zinc/81/82/91/569818291.db2.gz JSTRPIUJDBQWBQ-UODIDJSMSA-N 0 3 488.540 4.544 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102764414 569822768 /nfs/dbraw/zinc/82/27/68/569822768.db2.gz YRLAJCYNFMQPET-DNVJHFABSA-N 0 3 493.357 4.817 50 0 JJAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)C3ON2c2ccccc2)cc1 ZINC000136070713 569864548 /nfs/dbraw/zinc/86/45/48/569864548.db2.gz SLSDYWCIKPKNLR-BHDDXSALSA-N 0 3 463.331 4.809 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000137665946 569865203 /nfs/dbraw/zinc/86/52/03/569865203.db2.gz WBODFGCOJUDTNL-RBZQAINGSA-N 0 3 478.932 4.717 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000137947892 569865507 /nfs/dbraw/zinc/86/55/07/569865507.db2.gz TZHBVQBOBJMIHW-PCCBWWKXSA-N 0 3 456.395 4.896 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000138612164 569866066 /nfs/dbraw/zinc/86/60/66/569866066.db2.gz LTZLHLVQLXADCU-PCCBWWKXSA-N 0 3 455.297 4.750 50 0 JJAAHN CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677269 569868622 /nfs/dbraw/zinc/86/86/22/569868622.db2.gz VSMLTCWYMIJBLE-NOZRDPDXSA-N 0 3 489.582 4.610 50 0 JJAAHN COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(C4CCCC4)C[C@@H]23)cc1 ZINC000169679074 569869463 /nfs/dbraw/zinc/86/94/63/569869463.db2.gz QDCRGHAUGJHLJS-VWNXMTODSA-N 0 3 473.539 4.958 50 0 JJAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@@H](O)COCc1ccco1 ZINC000169679469 569869792 /nfs/dbraw/zinc/86/97/92/569869792.db2.gz SEOVLNBHXLYQKU-IFMALSPDSA-N 0 3 455.599 4.957 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229972344 570043076 /nfs/dbraw/zinc/04/30/76/570043076.db2.gz DSKQGJXZLGUQBV-PWRODBHTSA-N 0 3 467.294 4.639 50 0 JJAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OCC)c2)cc1 ZINC000230007092 570043440 /nfs/dbraw/zinc/04/34/40/570043440.db2.gz FRXKTFLXEFCHHX-JIMJEQGWSA-N 0 3 488.540 4.631 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000230007092 570043442 /nfs/dbraw/zinc/04/34/42/570043442.db2.gz FRXKTFLXEFCHHX-JIMJEQGWSA-N 0 3 488.540 4.631 50 0 JJAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000230001199 570043471 /nfs/dbraw/zinc/04/34/71/570043471.db2.gz FTVXESHJNBLTRS-ISJGIBHGSA-N 0 3 458.514 4.535 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000230001199 570043473 /nfs/dbraw/zinc/04/34/73/570043473.db2.gz FTVXESHJNBLTRS-ISJGIBHGSA-N 0 3 458.514 4.535 50 0 JJAAHN COc1cccc(N2C(=O)C3ON(c4cccc(Br)c4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000230063485 570044264 /nfs/dbraw/zinc/04/42/64/570044264.db2.gz VSXXGGUJNSHFKH-YTFSRNRJSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000239338633 570050868 /nfs/dbraw/zinc/05/08/68/570050868.db2.gz KVVBYYXTADNERO-BHIFYINESA-N 0 3 479.330 4.509 50 0 JJAAHN C[C@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245257982 570060798 /nfs/dbraw/zinc/06/07/98/570060798.db2.gz JFHDDFHUZBUMGE-RBTNQOKQSA-N 0 3 480.653 4.676 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245310373 570063170 /nfs/dbraw/zinc/06/31/70/570063170.db2.gz IMVYVTQUFREZRA-UDFVPUEDSA-N 0 3 454.551 4.619 50 0 JJAAHN CC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327086 570065172 /nfs/dbraw/zinc/06/51/72/570065172.db2.gz ISENYQZDMULMJQ-SIKLNZKXSA-N 0 3 465.059 4.635 50 0 JJAAHN CC(C)CN(C[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327463 570065317 /nfs/dbraw/zinc/06/53/17/570065317.db2.gz JJSZOWJOKYPELU-VWNXMTODSA-N 0 3 454.586 4.911 50 0 JJAAHN O=C(CN(C[C@@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247747049 570069098 /nfs/dbraw/zinc/06/90/98/570069098.db2.gz SAYMTBLKFDWUPX-RPLLCQBOSA-N 0 3 490.669 4.569 50 0 JJAAHN O=C(CN(C[C@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247747051 570069206 /nfs/dbraw/zinc/06/92/06/570069206.db2.gz SAYMTBLKFDWUPX-SHQCIBLASA-N 0 3 490.669 4.569 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)cc4)[C@@]3(C)C2=O)cc1 ZINC000248257079 570076926 /nfs/dbraw/zinc/07/69/26/570076926.db2.gz TWPIELDCTJUEGR-ONBPZOJHSA-N 0 3 458.514 4.535 50 0 JJAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000299758761 570174320 /nfs/dbraw/zinc/17/43/20/570174320.db2.gz LNBGCGJNVPHPKW-UHFFFAOYSA-N 0 3 464.009 4.796 50 0 JJAAHN Cc1cccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)c1 ZINC000299784840 570176643 /nfs/dbraw/zinc/17/66/43/570176643.db2.gz ISLAQSRZCBMPEB-WIOPSUGQSA-N 0 3 456.030 4.590 50 0 JJAAHN C[C@@H](NC1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cnn(-c2ccccc2)c1 ZINC000299798625 570177412 /nfs/dbraw/zinc/17/74/12/570177412.db2.gz TWIGJIGGIWYLDI-OAQYLSRUSA-N 0 3 466.589 4.839 50 0 JJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000001322163 194085153 /nfs/dbraw/zinc/08/51/53/194085153.db2.gz YUPHNNPKMUNCNB-MHZLTWQESA-N 0 3 471.557 4.958 50 0 biogenic JJAAHN Cc1cc(F)ccc1NC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960475 194181653 /nfs/dbraw/zinc/18/16/53/194181653.db2.gz CMNQDWKQHLSJCT-UHFFFAOYSA-N 0 3 457.553 4.961 50 0 JJAAHN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)cc1C ZINC000002973601 194189797 /nfs/dbraw/zinc/18/97/97/194189797.db2.gz NFTHRRMLFWIHQO-UHFFFAOYSA-N 0 3 464.635 4.620 50 0 JJAAHN Cc1nnc(Sc2cc(C(=O)NCCCN(C)Cc3ccccc3)c3ccccc3n2)s1 ZINC000003027403 194211672 /nfs/dbraw/zinc/21/16/72/194211672.db2.gz YMRQJQQOGHFIDE-UHFFFAOYSA-N 0 3 463.632 4.798 50 0 JJAAHN COC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000008590348 194459823 /nfs/dbraw/zinc/45/98/23/194459823.db2.gz XPDBYZINDKZUFR-IBGZPJMESA-N 0 3 478.501 4.850 50 0 JJAAHN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000009909700 195020711 /nfs/dbraw/zinc/02/07/11/195020711.db2.gz XXQWFDLBRBXEHK-UHFFFAOYSA-N 0 3 460.559 4.642 50 0 JJAAHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2CN(C)C)cc1OC ZINC000009917297 195023117 /nfs/dbraw/zinc/02/31/17/195023117.db2.gz KVTAMDSFOVTMLE-UHFFFAOYSA-N 0 3 470.573 4.548 50 0 JJAAHN Cc1cc(NC(=O)CN[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012797809 195137173 /nfs/dbraw/zinc/13/71/73/195137173.db2.gz ODLXTEFVUCMDTB-JYFHCDHNSA-N 0 3 486.682 4.524 50 0 JJAAHN Cc1cc(=O)c(C(=O)N[C@H](C)[C@H](c2ccccc2)N2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882774 195169503 /nfs/dbraw/zinc/16/95/03/195169503.db2.gz ZMCLAKRFLJWBKS-HOYKHHGWSA-N 0 3 484.522 4.515 50 0 JJAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000012890202 195172283 /nfs/dbraw/zinc/17/22/83/195172283.db2.gz YPDTVIRAQMJPKU-MVIPISOYSA-N 0 3 455.986 4.776 50 0 biogenic JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccccc1 ZINC000020643206 195194077 /nfs/dbraw/zinc/19/40/77/195194077.db2.gz WIZBUFWISNXCJY-QFIPXVFZSA-N 0 3 489.000 4.938 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O)NCc1ccc(F)cc1 ZINC000020643232 195194104 /nfs/dbraw/zinc/19/41/04/195194104.db2.gz FADRCAQHXUKQKM-QFIPXVFZSA-N 0 3 490.535 4.563 50 0 JJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)NC3CCCCCCC3)CC23CCCCC3)cc1 ZINC000020688014 195205467 /nfs/dbraw/zinc/20/54/67/195205467.db2.gz UIOLFMLOPQHRCX-UHFFFAOYSA-N 0 3 484.754 4.919 50 0 JJAAHN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCCN3CCCC[C@H]23)CO4)cc1 ZINC000020762875 195218781 /nfs/dbraw/zinc/21/87/81/195218781.db2.gz DUNRUTJASQTNJK-SQJMNOBHSA-N 0 3 460.574 4.885 50 0 biogenic JJAAHN CN(CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000020902842 195242035 /nfs/dbraw/zinc/24/20/35/195242035.db2.gz PKOJSLXHXFNGRH-SSEXGKCCSA-N 0 3 486.660 4.827 50 0 JJAAHN Cn1cnnc1[C@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000020906418 195245300 /nfs/dbraw/zinc/24/53/00/195245300.db2.gz QOLHAUPJNMDBOZ-KRWDZBQOSA-N 0 3 450.949 4.840 50 0 JJAAHN CC[C@H](C)N(CCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1)Cc1cccs1 ZINC000020919621 195247157 /nfs/dbraw/zinc/24/71/57/195247157.db2.gz XBLMAVRBTWSZMV-KRWDZBQOSA-N 0 3 473.664 4.712 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021364677 195299884 /nfs/dbraw/zinc/29/98/84/195299884.db2.gz PGDOBGSTLBMSLB-HHHXNRCGSA-N 0 3 468.642 4.534 50 0 JJAAHN CCOC(=O)c1cc(NC(=O)N(Cc2ccccc2Cl)C2CCN(C)CC2)c(C)nc1C ZINC000021523103 195303700 /nfs/dbraw/zinc/30/37/00/195303700.db2.gz FIDWTDYNLBMSHG-UHFFFAOYSA-N 0 3 458.990 4.657 50 0 JJAAHN Cc1nn2c(ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C)c1-c1cccc(C)c1 ZINC000021914486 195331826 /nfs/dbraw/zinc/33/18/26/195331826.db2.gz PLDMYMYSSIRCLF-UHFFFAOYSA-N 0 3 453.590 4.716 50 0 JJAAHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058169937 195370652 /nfs/dbraw/zinc/37/06/52/195370652.db2.gz FBRQONSYJHAWGY-UHFFFAOYSA-N 0 3 479.628 4.993 50 0 JJAAHN Cc1ccc2oc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c1 ZINC000058176672 195372011 /nfs/dbraw/zinc/37/20/11/195372011.db2.gz WQNNPGLJLBCPBV-UHFFFAOYSA-N 0 3 453.542 4.676 50 0 JJAAHN CCN1CCC(N(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c2ccccc2)CC1 ZINC000058202629 195373517 /nfs/dbraw/zinc/37/35/17/195373517.db2.gz UKIDARSTQRQMBH-LJQANCHMSA-N 0 3 460.544 4.834 50 0 JJAAHN COc1ccccc1CN1CCC(c2nc(C)ccc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000096280769 130026291 /nfs/dbraw/zinc/02/62/91/130026291.db2.gz HMBCFEDXZOZIPF-UHFFFAOYSA-N 0 3 455.602 4.977 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000102862196 130333920 /nfs/dbraw/zinc/33/39/20/130333920.db2.gz FWQFECJWKWTCSZ-FDFHNCONSA-N 0 3 476.554 4.511 50 0 JJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102862221 130334036 /nfs/dbraw/zinc/33/40/36/130334036.db2.gz XCAQZBSZLIKKDG-XPWALMASSA-N 0 3 476.916 4.568 50 0 JJAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccco1 ZINC000036149182 519717682 /nfs/dbraw/zinc/71/76/82/519717682.db2.gz UFFDCPSPFKPSSE-JOCHJYFZSA-N 0 3 453.583 4.571 50 0 JJAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(Br)cc4F)c(C)c32)CC1 ZINC000033048440 519861287 /nfs/dbraw/zinc/86/12/87/519861287.db2.gz AEDKALLJAYOCNJ-UHFFFAOYSA-N 0 3 492.418 4.686 50 0 JJAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014733329 521527316 /nfs/dbraw/zinc/52/73/16/521527316.db2.gz 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484.587 4.681 50 0 JJAAHN CCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)Cc1ccc(F)cc1 ZINC000034836527 569665491 /nfs/dbraw/zinc/66/54/91/569665491.db2.gz IHFUMWKTIYBQGD-UHFFFAOYSA-N 0 3 453.581 4.623 50 0 JJAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccc(C)s1 ZINC000034836784 569665944 /nfs/dbraw/zinc/66/59/44/569665944.db2.gz KAQZCLFNINYONO-UHFFFAOYSA-N 0 3 451.684 4.887 50 0 JJAAHN CCCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921488 569672356 /nfs/dbraw/zinc/67/23/56/569672356.db2.gz TYVWPNTZWAGDOP-OAQYLSRUSA-N 0 3 478.630 4.700 50 0 JJAAHN C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)(C)C ZINC000034921487 569672436 /nfs/dbraw/zinc/67/24/36/569672436.db2.gz QHZBVJMTQRTOAC-HXUWFJFHSA-N 0 3 492.657 4.946 50 0 JJAAHN O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000071282379 569696240 /nfs/dbraw/zinc/69/62/40/569696240.db2.gz PWNWFYVRGHQCEF-UHFFFAOYSA-N 0 3 461.005 4.871 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1 ZINC000035454021 569697425 /nfs/dbraw/zinc/69/74/25/569697425.db2.gz MFFGYNYJOBHPJP-UHFFFAOYSA-N 0 3 455.606 4.528 50 0 JJAAHN C[C@@H](C(=O)NCCN1CCCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000035454624 569697541 /nfs/dbraw/zinc/69/75/41/569697541.db2.gz JPHKHSNRPLEUNN-OAQYLSRUSA-N 0 3 488.632 4.585 50 0 JJAAHN CCCN1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3C)CC2)CC1 ZINC000035561573 569704520 /nfs/dbraw/zinc/70/45/20/569704520.db2.gz VOSSTVVHADTNAK-UHFFFAOYSA-N 0 3 472.677 4.764 50 0 JJAAHN C[C@H]1Oc2ccccc2OC1C(=O)N(CCn1cccn1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099445 569704867 /nfs/dbraw/zinc/70/48/67/569704867.db2.gz HGEHFEIJDCTXMP-VLIAUNLRSA-N 0 3 488.491 4.773 50 0 JJAAHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000078718296 569706461 /nfs/dbraw/zinc/70/64/61/569706461.db2.gz DSYAOLSAEKBHNK-IBGZPJMESA-N 0 3 469.630 4.764 50 0 JJAAHN C[C@H](C(=O)NCCN1CCCC1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407243 569710407 /nfs/dbraw/zinc/71/04/07/569710407.db2.gz LJWOBFQCDBDBKS-OAHLLOKOSA-N 0 3 463.384 4.846 50 0 JJAAHN COc1cccc(CN2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925701 569729167 /nfs/dbraw/zinc/72/91/67/569729167.db2.gz HLGZEBACTRGROU-UHFFFAOYSA-N 0 3 470.621 4.735 50 0 JJAAHN Nc1c2c(nn1-c1ccccc1Cl)nc(NCCN1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035929956 569731432 /nfs/dbraw/zinc/73/14/32/569731432.db2.gz QZIQUVRDSJBDND-UHFFFAOYSA-N 0 3 465.964 4.755 50 0 JJAAHN COc1cc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)ccc1OC1CCCC1 ZINC000095951826 569731470 /nfs/dbraw/zinc/73/14/70/569731470.db2.gz GBAHEMSNKMKAHU-QFIPXVFZSA-N 0 3 450.579 4.735 50 0 JJAAHN O=C(COc1ccccc1)N(c1ccccc1)[C@@H]1C(Oc2ccccc2)C(=O)N1c1ccccc1 ZINC000096581399 569741828 /nfs/dbraw/zinc/74/18/28/569741828.db2.gz PRIXPSVQIVEATF-IZLXSDGUSA-N 0 3 464.521 4.919 50 0 JJAAHN CCCC(=O)OC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000036249904 569758194 /nfs/dbraw/zinc/75/81/94/569758194.db2.gz WKQZHYLVQJTJJC-VWLOTQADSA-N 0 3 491.632 4.894 50 0 JJAAHN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)C(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340272 569763810 /nfs/dbraw/zinc/76/38/10/569763810.db2.gz JSHRFHIWPVFEHS-VWLOTQADSA-N 0 3 465.041 4.835 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100628246 569765794 /nfs/dbraw/zinc/76/57/94/569765794.db2.gz IPPSRKGTQIMDNV-BDTNDASRSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100628253 569765817 /nfs/dbraw/zinc/76/58/17/569765817.db2.gz IPPSRKGTQIMDNV-FKBYEOEOSA-N 0 3 479.330 4.509 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345978 569768549 /nfs/dbraw/zinc/76/85/49/569768549.db2.gz SZMJLNFMFJKFKW-QFIPXVFZSA-N 0 3 455.574 4.968 50 0 JJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000101034839 569780149 /nfs/dbraw/zinc/78/01/49/569780149.db2.gz FXRVZIUSXVMWPB-VSKRKVRLSA-N 0 3 485.323 4.759 50 0 JJAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCCN1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037359615 569783896 /nfs/dbraw/zinc/78/38/96/569783896.db2.gz NTSBHXNSQHWXEQ-UHFFFAOYSA-N 0 3 468.392 4.879 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000101203229 569787093 /nfs/dbraw/zinc/78/70/93/569787093.db2.gz MOLRWMHDRADDEH-VSKRKVRLSA-N 0 3 497.320 4.648 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000101203229 569787094 /nfs/dbraw/zinc/78/70/94/569787094.db2.gz MOLRWMHDRADDEH-VSKRKVRLSA-N 0 3 497.320 4.648 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101226251 569787552 /nfs/dbraw/zinc/78/75/52/569787552.db2.gz YRLAJCYNFMQPET-ZRBLBEILSA-N 0 3 493.357 4.817 50 0 JJAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102663051 569815327 /nfs/dbraw/zinc/81/53/27/569815327.db2.gz ZBBNWERRMZMRTL-YPAWHYETSA-N 0 3 463.331 4.809 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102663111 569815345 /nfs/dbraw/zinc/81/53/45/569815345.db2.gz JOJPVLTWMUJQIU-PWRODBHTSA-N 0 3 467.294 4.639 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102724198 569817514 /nfs/dbraw/zinc/81/75/14/569817514.db2.gz MUXSDIFQXNKICF-BHDDXSALSA-N 0 3 479.330 4.509 50 0 JJAAHN CCN(CC)CCN(C(=O)Cc1cc(C(C)=O)ccc1OC)c1cccc(Br)c1 ZINC000040157908 569821918 /nfs/dbraw/zinc/82/19/18/569821918.db2.gz AAPPKFWEQGUKIS-UHFFFAOYSA-N 0 3 461.400 4.578 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102761199 569822109 /nfs/dbraw/zinc/82/21/09/569822109.db2.gz VNERRIBWWMXGQO-YPAWHYETSA-N 0 3 497.320 4.648 50 0 JJAAHN Cc1ccc(C(=O)N2N[C@H](c3ccc(C)cc3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)C32)cc1 ZINC000103588075 569836479 /nfs/dbraw/zinc/83/64/79/569836479.db2.gz PVFTYTQASHNRCW-DNVJHFABSA-N 0 3 494.378 4.870 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105003613 569849369 /nfs/dbraw/zinc/84/93/69/569849369.db2.gz JFDGWYCSRWECLC-NFBKMPQASA-N 0 3 467.610 4.980 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000105009265 569850497 /nfs/dbraw/zinc/85/04/97/569850497.db2.gz PXXOSACPAXYLMW-NFBKMPQASA-N 0 3 467.610 4.980 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000137960240 569865556 /nfs/dbraw/zinc/86/55/56/569865556.db2.gz YZYFGUQOTPCHLL-PCCBWWKXSA-N 0 3 456.395 4.896 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000143599516 569867647 /nfs/dbraw/zinc/86/76/47/569867647.db2.gz RMYQZKPQVRPYLQ-RBZQAINGSA-N 0 3 478.932 4.717 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000169679603 569869852 /nfs/dbraw/zinc/86/98/52/569869852.db2.gz PXXOSACPAXYLMW-NZQKXSOJSA-N 0 3 467.610 4.980 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000226838165 570038767 /nfs/dbraw/zinc/03/87/67/570038767.db2.gz TWRMAQGRZFHYQW-JTKRFKOTSA-N 0 3 474.969 4.964 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000226897324 570039391 /nfs/dbraw/zinc/03/93/91/570039391.db2.gz KCPNSCLXHOLDPK-BHDDXSALSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000226897324 570039392 /nfs/dbraw/zinc/03/93/92/570039392.db2.gz KCPNSCLXHOLDPK-BHDDXSALSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000229890395 570041827 /nfs/dbraw/zinc/04/18/27/570041827.db2.gz FRWUBWTWOBDLHQ-BHDDXSALSA-N 0 3 452.869 4.539 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229890395 570041828 /nfs/dbraw/zinc/04/18/28/570041828.db2.gz FRWUBWTWOBDLHQ-BHDDXSALSA-N 0 3 452.869 4.539 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000239302859 570050344 /nfs/dbraw/zinc/05/03/44/570050344.db2.gz FRWUBWTWOBDLHQ-YPAWHYETSA-N 0 3 452.869 4.539 50 0 JJAAHN Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000244909716 570054331 /nfs/dbraw/zinc/05/43/31/570054331.db2.gz ASMBWSGWURNOTJ-UHFFFAOYSA-N 0 3 496.961 4.914 50 0 JJAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000245326085 570064427 /nfs/dbraw/zinc/06/44/27/570064427.db2.gz DBNWJYYACMNNQO-JXHRLWIKSA-N 0 3 462.631 4.511 50 0 JJAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000245326019 570064486 /nfs/dbraw/zinc/06/44/86/570064486.db2.gz CUNNTYHKLGTTOF-QTGUNEKASA-N 0 3 458.668 4.599 50 0 JJAAHN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)[C@H](C)C(C)(C)O ZINC000245326170 570064669 /nfs/dbraw/zinc/06/46/69/570064669.db2.gz DPLQSDFGFXYKHN-AUSIDOKSSA-N 0 3 458.668 4.858 50 0 JJAAHN CCC[C@@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327490 570065278 /nfs/dbraw/zinc/06/52/78/570065278.db2.gz JQUYVJWCCSVASF-ZJSXRUAMSA-N 0 3 476.658 4.901 50 0 JJAAHN O=S(=O)(c1ccccc1)N1C[C@@H](CN2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000247306402 570067855 /nfs/dbraw/zinc/06/78/55/570067855.db2.gz GUBZITOIJVFHPC-DENIHFKCSA-N 0 3 452.542 4.596 50 0 JJAAHN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(OCC(=O)N[C@H]3CCCN(C)C3)cc2)CC1 ZINC000252512252 570082672 /nfs/dbraw/zinc/08/26/72/570082672.db2.gz OMEGVDDLGUAPTE-OPXMRZJTSA-N 0 3 498.067 4.728 50 0 JJAAHN Fc1ccc(Cn2nc(CNCCc3nc4ccccc4[nH]3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261491711 570169857 /nfs/dbraw/zinc/16/98/57/570169857.db2.gz FAEGLJHXMWBTDN-UHFFFAOYSA-N 0 3 460.944 4.995 50 0 JJAAHN COc1ccc2cc(CN(CCN(C)C)C(=O)c3ccc4c(c3)OCO4)c(-c3cccs3)nc2c1 ZINC000299760853 570174635 /nfs/dbraw/zinc/17/46/35/570174635.db2.gz KIUFJULMGKGCTG-UHFFFAOYSA-N 0 3 489.597 4.905 50 0 JJAAHN COC(=O)c1sc2nc(CN(C)CCc3ccc(OC)c(OC)c3)ccc2c1NC(=O)C1CCC1 ZINC000299763856 570174924 /nfs/dbraw/zinc/17/49/24/570174924.db2.gz FQWFZLNGRQCBPX-UHFFFAOYSA-N 0 3 497.617 4.513 50 0 JJAAHN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960539 194181761 /nfs/dbraw/zinc/18/17/61/194181761.db2.gz WRTZHXIUZVHXAP-QFIPXVFZSA-N 0 3 474.008 4.845 50 0 JJAAHN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCCN(C)CC3)c2c1C ZINC000003414766 194316827 /nfs/dbraw/zinc/31/68/27/194316827.db2.gz LBSYHUVNEMBASV-UHFFFAOYSA-N 0 3 456.637 4.611 50 0 JJAAHN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000003655760 194352988 /nfs/dbraw/zinc/35/29/88/194352988.db2.gz GTAKBIVTYSIDQC-GOSISDBHSA-N 0 3 482.464 4.763 50 0 JJAAHN Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(C)cc4)CC2)n3C)cc1 ZINC000009243127 194627837 /nfs/dbraw/zinc/62/78/37/194627837.db2.gz RONBNBLOYMFOEE-UHFFFAOYSA-N 0 3 467.617 4.807 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc2)CC1 ZINC000009336878 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CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077176 570044537 /nfs/dbraw/zinc/04/45/37/570044537.db2.gz LBPCMQHXRCHVBN-YGOYIFOWSA-N 0 3 451.636 4.572 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239331289 570050880 /nfs/dbraw/zinc/05/08/80/570050880.db2.gz KKTSAQMJSJALQX-GSDHBNRESA-N 0 3 450.494 4.900 50 0 JJAAHN CC[C@@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327405 570065143 /nfs/dbraw/zinc/06/51/43/570065143.db2.gz IYPMEVAZYMZVCI-NFBKMPQASA-N 0 3 462.631 4.511 50 0 JJAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000248225019 570076201 /nfs/dbraw/zinc/07/62/01/570076201.db2.gz IXLVEQSAEAXYGF-YGOYIFOWSA-N 0 3 453.652 4.675 50 0 JJAAHN Cc1ccc(Cn2cc(CNCCSc3nnnn3-c3ccccc3)c3ccccc32)cc1 ZINC000261492016 570169979 /nfs/dbraw/zinc/16/99/79/570169979.db2.gz PIIWDWHZOITUNI-UHFFFAOYSA-N 0 3 454.603 4.856 50 0 JJAAHN CN(Cc1[nH]nc2c1CCCC2)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000299769663 570175644 /nfs/dbraw/zinc/17/56/44/570175644.db2.gz OWKZJDZZSBWTAA-UHFFFAOYSA-N 0 3 483.660 4.588 50 0 JJAAHN CN(Cc1n[nH]c2c1CCCC2)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000299769663 570175645 /nfs/dbraw/zinc/17/56/45/570175645.db2.gz OWKZJDZZSBWTAA-UHFFFAOYSA-N 0 3 483.660 4.588 50 0 JJAAHN COc1ccc(CNC2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c(OC)c1 ZINC000299770868 570175752 /nfs/dbraw/zinc/17/57/52/570175752.db2.gz RRPBYTIXPVKYOB-OAQYLSRUSA-N 0 3 473.617 4.953 50 0 JJAAHN COc1cccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000002960414 194181382 /nfs/dbraw/zinc/18/13/82/194181382.db2.gz WNCALWIAHXATTF-UHFFFAOYSA-N 0 3 455.562 4.522 50 0 JJAAHN Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967821 194185220 /nfs/dbraw/zinc/18/52/20/194185220.db2.gz UKZKYGDEIYOPQP-OAQYLSRUSA-N 0 3 474.611 4.655 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1cccs1 ZINC000002967767 194185488 /nfs/dbraw/zinc/18/54/88/194185488.db2.gz 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O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccc(F)cc1 ZINC000020643256 195194151 /nfs/dbraw/zinc/19/41/51/195194151.db2.gz CMVVNBBLWKVXCD-JOCHJYFZSA-N 0 3 490.535 4.563 50 0 JJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC23CCCCC3)cc1 ZINC000020687992 195205552 /nfs/dbraw/zinc/20/55/52/195205552.db2.gz HTTKUAUQGQVBGE-JBRSBNLGSA-N 0 3 484.754 4.631 50 0 JJAAHN CCCCN(C)CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21 ZINC000020727067 195208311 /nfs/dbraw/zinc/20/83/11/195208311.db2.gz VUOFIKPRWPXIFV-JWGURIENSA-N 0 3 458.027 4.668 50 0 JJAAHN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCCN3CCCC[C@H]23)CO4)cc1OC ZINC000020761644 195217826 /nfs/dbraw/zinc/21/78/26/195217826.db2.gz XXGIITQBNOMKHF-XUZZJYLKSA-N 0 3 490.600 4.894 50 0 biogenic JJAAHN COc1ccccc1-c1coc2c(ccc3c2CN(C[C@@H]2CCCN4CCCC[C@H]24)CO3)c1=O ZINC000020763017 195218844 /nfs/dbraw/zinc/21/88/44/195218844.db2.gz BDSJHIMDFHDIKI-YADARESESA-N 0 3 460.574 4.885 50 0 biogenic JJAAHN O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@H](NCc1cccc(F)c1F)CC3 ZINC000020777157 195224255 /nfs/dbraw/zinc/22/42/55/195224255.db2.gz QXCQQSAGWIIUNZ-GOSISDBHSA-N 0 3 463.553 4.723 50 0 JJAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)C2)cc1 ZINC000021103411 195276829 /nfs/dbraw/zinc/27/68/29/195276829.db2.gz RHKKGSDONBQDAG-NRFANRHFSA-N 0 3 494.039 4.553 50 0 JJAAHN O=C(CSc1ncnc2c1sc1cccc(F)c12)NC1CCN(Cc2ccccc2)CC1 ZINC000021153380 195284004 /nfs/dbraw/zinc/28/40/04/195284004.db2.gz NCTKSERBMDWYQT-UHFFFAOYSA-N 0 3 466.607 4.857 50 0 JJAAHN CN(CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000021526686 195305220 /nfs/dbraw/zinc/30/52/20/195305220.db2.gz JWWMIOCGWURKOQ-LJAQVGFWSA-N 0 3 490.648 4.810 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915246 195332008 /nfs/dbraw/zinc/33/20/08/195332008.db2.gz MVUZPMAOITVRRH-UHFFFAOYSA-N 0 3 482.628 4.918 50 0 JJAAHN O=C(c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)N1CCN(C2CCCCC2)CC1 ZINC000021915230 195332111 /nfs/dbraw/zinc/33/21/11/195332111.db2.gz CJDQSESYEIODHZ-UHFFFAOYSA-N 0 3 460.622 4.614 50 0 JJAAHN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000021934808 195335900 /nfs/dbraw/zinc/33/59/00/195335900.db2.gz MLVPZSGZRQSLQB-UHFFFAOYSA-N 0 3 479.628 4.543 50 0 JJAAHN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1=O ZINC000058160769 195368923 /nfs/dbraw/zinc/36/89/23/195368923.db2.gz JTIOCRCOJCVATL-ZEQKJWHPSA-N 0 3 482.628 4.557 50 0 JJAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000058161780 195369159 /nfs/dbraw/zinc/36/91/59/195369159.db2.gz AMFXMZVAHRFMKS-NDEPHWFRSA-N 0 3 471.601 4.819 50 0 JJAAHN CCN1CCC(N(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c2ccccc2)CC1 ZINC000058202630 195373427 /nfs/dbraw/zinc/37/34/27/195373427.db2.gz UKIDARSTQRQMBH-IBGZPJMESA-N 0 3 460.544 4.834 50 0 JJAAHN CC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012458669 519716039 /nfs/dbraw/zinc/71/60/39/519716039.db2.gz KKLUKVOLHGSPTR-UHFFFAOYSA-N 0 3 451.958 4.584 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307825 520090132 /nfs/dbraw/zinc/09/01/32/520090132.db2.gz JXOPOUCCRWKCBZ-QFIPXVFZSA-N 0 3 453.558 4.628 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306907 520154351 /nfs/dbraw/zinc/15/43/51/520154351.db2.gz MIUQNNLHMCNJTO-OAQYLSRUSA-N 0 3 453.558 4.628 50 0 JJAAHN CCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016752554 520424875 /nfs/dbraw/zinc/42/48/75/520424875.db2.gz NTGJDFUSHIQWPB-XMMPIXPASA-N 0 3 482.552 4.617 50 0 JJAAHN CCOC(=O)C1C(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412499 520521116 /nfs/dbraw/zinc/52/11/16/520521116.db2.gz XDRMFTDUKASQOT-PDTOIUCRSA-N 0 3 465.638 4.669 50 0 JJAAHN CCOC(=O)C1=C(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412499 520521124 /nfs/dbraw/zinc/52/11/24/520521124.db2.gz XDRMFTDUKASQOT-PDTOIUCRSA-N 0 3 465.638 4.669 50 0 JJAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccc4cccnc42)CCO3)C1 ZINC000014991560 520527395 /nfs/dbraw/zinc/52/73/95/520527395.db2.gz PWAASNKCAHDZNL-AREMUKBSSA-N 0 3 486.660 4.710 50 0 JJAAHN CCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000016753652 520897612 /nfs/dbraw/zinc/89/76/12/520897612.db2.gz KQDOSLDBUYGUBK-XMMPIXPASA-N 0 3 482.552 4.617 50 0 JJAAHN CC1CCC(NC(=O)[C@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2CCCN2CCCCC2)CC1 ZINC000021863587 520951690 /nfs/dbraw/zinc/95/16/90/520951690.db2.gz PGMDQMJPPORHKC-HVKFLMNHSA-N 0 3 480.653 4.534 50 0 JJAAHN CCC[C@@]1(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000014885948 520958487 /nfs/dbraw/zinc/95/84/87/520958487.db2.gz BPGLRWXJATWHBR-WNJJXGMVSA-N 0 3 475.633 4.835 50 0 JJAAHN CCOc1ccccc1CN1CCC(O)(c2ccc3oc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3c2)CC1 ZINC000012218272 521481359 /nfs/dbraw/zinc/48/13/59/521481359.db2.gz QMSLIVXZXOJNHC-OYRHEFFESA-N 0 3 492.616 4.565 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036309058 521536913 /nfs/dbraw/zinc/53/69/13/521536913.db2.gz FPSPMIXGABTZRW-OZXSUGGESA-N 0 3 478.658 4.569 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)[C@@H](C)C(C)(C)O ZINC000036310285 521539180 /nfs/dbraw/zinc/53/91/80/521539180.db2.gz QKKIBLLNTBFVAE-RBBKRZOGSA-N 0 3 458.668 4.741 50 0 JJAAHN CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012441485 521676325 /nfs/dbraw/zinc/67/63/25/521676325.db2.gz FDCGDZDAGRZLNS-MHZLTWQESA-N 0 3 450.623 4.804 50 0 JJAAHN CCCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012441488 521677921 /nfs/dbraw/zinc/67/79/21/521677921.db2.gz FDCGDZDAGRZLNS-HHHXNRCGSA-N 0 3 450.623 4.804 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)CSc3nccn3-c3ccccc3C(C)C)cc2)CC1 ZINC000014902845 521698109 /nfs/dbraw/zinc/69/81/09/521698109.db2.gz HWUAXETZNKVUIZ-UHFFFAOYSA-N 0 3 463.651 4.868 50 0 JJAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)c1ccccc1 ZINC000016599784 522022977 /nfs/dbraw/zinc/02/29/77/522022977.db2.gz DMJDCABDUOKTTL-MHZLTWQESA-N 0 3 476.584 4.574 50 0 JJAAHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc(OC)c1OCc1ccccc1 ZINC000023740922 522116922 /nfs/dbraw/zinc/11/69/22/522116922.db2.gz WDNTUVUGYQJFIC-DEOSSOPVSA-N 0 3 460.574 4.850 50 0 JJAAHN COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016363653 522453798 /nfs/dbraw/zinc/45/37/98/522453798.db2.gz KLPAYWZWJAQTNE-UHFFFAOYSA-N 0 3 488.828 4.640 50 0 JJAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036308899 522991193 /nfs/dbraw/zinc/99/11/93/522991193.db2.gz ISENYQZDMULMJQ-KNQAVFIVSA-N 0 3 465.059 4.635 50 0 JJAAHN CN(Cc1cccc(OCCN2CCN(C(=O)C3CCC3)CC2)c1)Cc1cccc2ccccc21 ZINC000014885216 523316292 /nfs/dbraw/zinc/31/62/92/523316292.db2.gz VMJFTMIALOLPFE-UHFFFAOYSA-N 0 3 471.645 4.795 50 0 JJAAHN COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014748260 523800338 /nfs/dbraw/zinc/80/03/38/523800338.db2.gz NWRIBUOPHZAIJN-UHFFFAOYSA-N 0 3 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CCN1CCC[C@@H]1CNC(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023449848 556064717 /nfs/dbraw/zinc/06/47/17/556064717.db2.gz QWGJFIICJJTHIP-HSZRJFAPSA-N 0 3 473.617 4.887 50 0 JJAAHN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN(C)C1CCCCC1 ZINC000023695358 556083537 /nfs/dbraw/zinc/08/35/37/556083537.db2.gz CEBKUHZBDNECTL-UHFFFAOYSA-N 0 3 453.583 4.939 50 0 JJAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000015953236 556087091 /nfs/dbraw/zinc/08/70/91/556087091.db2.gz SSOZXHAQRFYUFX-UHFFFAOYSA-N 0 3 470.639 4.660 50 0 JJAAHN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)NC1CCN(Cc2ccccc2)CC1 ZINC000012628514 556093040 /nfs/dbraw/zinc/09/30/40/556093040.db2.gz ZWFHAQPAFWPJQD-UHFFFAOYSA-N 0 3 485.451 4.712 50 0 JJAAHN CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000026842648 556264640 /nfs/dbraw/zinc/26/46/40/556264640.db2.gz ZAUKABLUGSBUSR-RUZDIDTESA-N 0 3 478.589 4.704 50 0 JJAAHN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000026842643 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CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000032622874 556452734 /nfs/dbraw/zinc/45/27/34/556452734.db2.gz YZQQYWGRKQZWJZ-IBGZPJMESA-N 0 3 475.770 4.706 50 0 JJAAHN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@H](C)CCN1CCN(c2ccccc2)CC1 ZINC000032916675 556540927 /nfs/dbraw/zinc/54/09/27/556540927.db2.gz BIPSHZIKKUNOEN-OAQYLSRUSA-N 0 3 486.620 4.603 50 0 JJAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(-c4nnc(-c5ccccc5C)o4)cc3)cc2)CC1 ZINC000032932411 556547522 /nfs/dbraw/zinc/54/75/22/556547522.db2.gz UWYVQWALCBPFSN-UHFFFAOYSA-N 0 3 495.627 4.780 50 0 JJAAHN CCOC(=O)c1c(NC(=O)COc2ccc(C(=O)CC)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000032957675 556570906 /nfs/dbraw/zinc/57/09/06/556570906.db2.gz UTIBJWWYOWLFCM-UHFFFAOYSA-N 0 3 472.607 4.694 50 0 JJAAHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000008687389 562953346 /nfs/dbraw/zinc/95/33/46/562953346.db2.gz TXPRPLRWADQUKQ-RUZDIDTESA-N 0 3 494.591 4.741 50 0 JJAAHN C[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)cc2NC1=O 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/nfs/dbraw/zinc/63/40/90/569634090.db2.gz ZKNBHWFVWAVUHP-GSTLAZBSSA-N 0 3 466.512 4.696 50 0 JJAAHN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1)NCCN1CCCCC1 ZINC000034679707 569642780 /nfs/dbraw/zinc/64/27/80/569642780.db2.gz YFRLPRKKOMWJSB-UHFFFAOYSA-N 0 3 473.592 4.817 50 0 JJAAHN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034679859 569642851 /nfs/dbraw/zinc/64/28/51/569642851.db2.gz MGGXAPPGAXHWQI-OBGWFSINSA-N 0 3 467.613 4.688 50 0 JJAAHN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3cccs3)CC2)nc1 ZINC000034681707 569643474 /nfs/dbraw/zinc/64/34/74/569643474.db2.gz MWSYYJGOPLSMIC-UHFFFAOYSA-N 0 3 456.999 4.526 50 0 JJAAHN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000034697656 569647577 /nfs/dbraw/zinc/64/75/77/569647577.db2.gz XWPJUDQLQBSVMU-CUBQBAPOSA-N 0 3 473.592 4.512 50 0 JJAAHN O=C(c1ccc(F)cc1)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698306 569647715 /nfs/dbraw/zinc/64/77/15/569647715.db2.gz IRHZXGMRPWLBJW-WXVAWEFUSA-N 0 3 479.546 4.782 50 0 JJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)CC4CCCC4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698454 569647791 /nfs/dbraw/zinc/64/77/91/569647791.db2.gz NGGZOLVYOVXBIJ-RBJSKKJNSA-N 0 3 479.640 4.779 50 0 JJAAHN COc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H](CN3CCN(c4ccccc4)CC3)C2)c1 ZINC000034698409 569647832 /nfs/dbraw/zinc/64/78/32/569647832.db2.gz TXTJBSKVZDHKDV-CUBQBAPOSA-N 0 3 473.592 4.512 50 0 JJAAHN Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCCN(Cc4cccnc4)CC3)nc2c1 ZINC000034707913 569650024 /nfs/dbraw/zinc/65/00/24/569650024.db2.gz SXMWRFCBAIKSIB-UHFFFAOYSA-N 0 3 476.009 4.767 50 0 JJAAHN Fc1cccc(-c2noc(-c3ccc(NCCCN4CCN(Cc5ccccc5)CC4)nc3)n2)c1 ZINC000065097934 569661700 /nfs/dbraw/zinc/66/17/00/569661700.db2.gz MVXIICDLQGDDAW-UHFFFAOYSA-N 0 3 472.568 4.558 50 0 JJAAHN CC(C)OCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314996 569672679 /nfs/dbraw/zinc/67/26/79/569672679.db2.gz CUHYANKDHVHOCM-UHFFFAOYSA-N 0 3 465.613 4.972 50 0 JJAAHN C[C@H]1CN(CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@H](C)O1 ZINC000065606738 569676350 /nfs/dbraw/zinc/67/63/50/569676350.db2.gz QIQAHTDQJPACTQ-PMACEKPBSA-N 0 3 455.574 4.758 50 0 JJAAHN Cc1ccc(CN2CCC(CNC(=O)CC3CCN(C(=O)Nc4ccccc4)CC3)CC2)cc1 ZINC000035399208 569689675 /nfs/dbraw/zinc/68/96/75/569689675.db2.gz IBKKTBJDAKMPMH-UHFFFAOYSA-N 0 3 462.638 4.657 50 0 JJAAHN CCN(CC)[C@@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)(C)C)cc1 ZINC000035671284 569706066 /nfs/dbraw/zinc/70/60/66/569706066.db2.gz PCKYWVAUECIDBR-KRWDZBQOSA-N 0 3 470.664 4.883 50 0 JJAAHN CC(C)[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000084456261 569709161 /nfs/dbraw/zinc/70/91/61/569709161.db2.gz BKDLMTXRIITUQQ-JOCHJYFZSA-N 0 3 451.032 4.966 50 0 JJAAHN COc1ccc2[nH]cc(CC(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c2c1 ZINC000089467060 569718627 /nfs/dbraw/zinc/71/86/27/569718627.db2.gz PZAPHQLBTMUZQS-UHFFFAOYSA-N 0 3 454.574 4.680 50 0 JJAAHN O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 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ZINC000033331898 569624412 /nfs/dbraw/zinc/62/44/12/569624412.db2.gz WQDAHKYBGABACM-GDLZYMKVSA-N 0 3 490.648 4.728 50 0 JJAAHN Cc1nc2cc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859551 569639180 /nfs/dbraw/zinc/63/91/80/569639180.db2.gz DLADRNVFCGGPPB-UHFFFAOYSA-N 0 3 498.602 4.534 50 0 JJAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)CC2)cc1 ZINC000064859434 569639197 /nfs/dbraw/zinc/63/91/97/569639197.db2.gz CMCIXKZRYZPDLA-UHFFFAOYSA-N 0 3 494.639 4.704 50 0 JJAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc1 ZINC000034681699 569643458 /nfs/dbraw/zinc/64/34/58/569643458.db2.gz MJTHDDNHAUZFLY-UHFFFAOYSA-N 0 3 464.997 4.773 50 0 JJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccc(C)cc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698440 569647807 /nfs/dbraw/zinc/64/78/07/569647807.db2.gz AFEZCAAHRZMFLY-VAVYLYDRSA-N 0 3 487.619 4.821 50 0 JJAAHN O=S(=O)(c1ccccc1)N1C[C@@H](CN2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698686 569647817 /nfs/dbraw/zinc/64/78/17/569647817.db2.gz GUBZITOIJVFHPC-KNQAVFIVSA-N 0 3 452.542 4.596 50 0 JJAAHN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000034725494 569652829 /nfs/dbraw/zinc/65/28/29/569652829.db2.gz MWDNFCOWCCWQOB-UHFFFAOYSA-N 0 3 491.607 4.898 50 0 JJAAHN Cc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CCN(C5CCCCC5)CC4)s3)no2)cc1 ZINC000065062974 569656310 /nfs/dbraw/zinc/65/63/10/569656310.db2.gz SEIVSRIPJFLQAC-UHFFFAOYSA-N 0 3 493.677 4.844 50 0 JJAAHN CC(=O)c1ccc(-c2ccc3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cn3c2)cc1 ZINC000034831098 569664021 /nfs/dbraw/zinc/66/40/21/569664021.db2.gz CFQRKDKCLSKFIQ-UHFFFAOYSA-N 0 3 452.558 4.598 50 0 JJAAHN COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n[nH]2)c(OC)c1 ZINC000067197147 569677355 /nfs/dbraw/zinc/67/73/55/569677355.db2.gz WTAHBBLQEWUPIB-UHFFFAOYSA-N 0 3 482.584 4.641 50 0 JJAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](Cc2ccccc2)N[C@]12C(=O)Nc1c2cccc1C ZINC000035365951 569682767 /nfs/dbraw/zinc/68/27/67/569682767.db2.gz CXRYRVGTACSNST-FCDUAZGNSA-N 0 3 475.976 4.664 50 0 biogenic JJAAHN O=C(NCCc1c[nH]cn1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000035451440 569696856 /nfs/dbraw/zinc/69/68/56/569696856.db2.gz XNTGZQKWDHEMBX-UHFFFAOYSA-N 0 3 476.024 4.637 50 0 JJAAHN O=C(NCCc1cnc[nH]1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000035451440 569696857 /nfs/dbraw/zinc/69/68/57/569696857.db2.gz XNTGZQKWDHEMBX-UHFFFAOYSA-N 0 3 476.024 4.637 50 0 JJAAHN CCCCCN(CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844995 569715824 /nfs/dbraw/zinc/71/58/24/569715824.db2.gz LYRUVZIIIIFXLP-UHFFFAOYSA-N 0 3 456.627 4.995 50 0 JJAAHN C[C@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)C[C@H](C)N1 ZINC000096592310 569742053 /nfs/dbraw/zinc/74/20/53/569742053.db2.gz BGHPXZSKRHBIMS-KBPBESRZSA-N 0 3 458.791 4.808 50 0 JJAAHN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCN1CCCCC1)nc2-c1ccccc1Cl ZINC000035929720 569731376 /nfs/dbraw/zinc/73/13/76/569731376.db2.gz JYWJYUNPFKNOIT-UHFFFAOYSA-N 0 3 465.964 4.755 50 0 JJAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@H](O)COCc1ccco1 ZINC000036245986 569757793 /nfs/dbraw/zinc/75/77/93/569757793.db2.gz SEOVLNBHXLYQKU-UNMCSNQZSA-N 0 3 455.599 4.957 50 0 JJAAHN COc1ccc(OC[C@@H](O)CN(Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036313045 569760595 /nfs/dbraw/zinc/76/05/95/569760595.db2.gz JMBHHZUIUSTAAJ-DEOSSOPVSA-N 0 3 491.632 4.992 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000036341992 569765080 /nfs/dbraw/zinc/76/50/80/569765080.db2.gz PXXOSACPAXYLMW-OFNKIYASSA-N 0 3 467.610 4.980 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346238 569769267 /nfs/dbraw/zinc/76/92/67/569769267.db2.gz GPRGZWPODRIBEO-QHCPKHFHSA-N 0 3 455.574 4.968 50 0 JJAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036346559 569770189 /nfs/dbraw/zinc/77/01/89/569770189.db2.gz HZFRMNIPCQEKSQ-UTKZUKDTSA-N 0 3 459.537 4.859 50 0 JJAAHN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCCN3CCCC[C@H]23)CO4)cc1 ZINC000036569713 569776625 /nfs/dbraw/zinc/77/66/25/569776625.db2.gz DUNRUTJASQTNJK-PXDATVDWSA-N 0 3 460.574 4.885 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100936911 569776734 /nfs/dbraw/zinc/77/67/34/569776734.db2.gz BLTQNZDLBFLECQ-BDTNDASRSA-N 0 3 468.431 4.765 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000100936911 569776737 /nfs/dbraw/zinc/77/67/37/569776737.db2.gz BLTQNZDLBFLECQ-BDTNDASRSA-N 0 3 468.431 4.765 50 0 JJAAHN COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCCN5CCCC[C@H]35)CO4)c2=O)cc1OC ZINC000036584660 569776986 /nfs/dbraw/zinc/77/69/86/569776986.db2.gz LCHPQVANSHXVPE-HYBUGGRVSA-N 0 3 490.600 4.894 50 0 JJAAHN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)NCCN1CCCC1 ZINC000037278473 569782373 /nfs/dbraw/zinc/78/23/73/569782373.db2.gz BRLUXJNCBCLFGZ-UHFFFAOYSA-N 0 3 476.621 4.689 50 0 JJAAHN Nc1c2c(nn1Cc1ccccc1)nc(NCCN1CCCCC1)nc2-c1ccc(Cl)cc1 ZINC000037358550 569783795 /nfs/dbraw/zinc/78/37/95/569783795.db2.gz FYDCXZDXPUJQNV-UHFFFAOYSA-N 0 3 462.001 4.675 50 0 JJAAHN Nc1c2c(nn1-c1ccccc1Cl)nc(NCCN1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037359602 569783848 /nfs/dbraw/zinc/78/38/48/569783848.db2.gz LUPAQRKANPVYHJ-UHFFFAOYSA-N 0 3 468.392 4.879 50 0 JJAAHN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCN1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037361570 569784187 /nfs/dbraw/zinc/78/41/87/569784187.db2.gz ILPUDZILUMEEKY-UHFFFAOYSA-N 0 3 483.954 4.894 50 0 JJAAHN CC(C)N1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000037361668 569784242 /nfs/dbraw/zinc/78/42/42/569784242.db2.gz UQRRQMPLKNZARS-UHFFFAOYSA-N 0 3 483.954 4.527 50 0 JJAAHN CN(C)CCN(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000037424054 569788940 /nfs/dbraw/zinc/78/89/40/569788940.db2.gz JNGAZVKJTCVMEQ-UHFFFAOYSA-N 0 3 485.021 4.573 50 0 JJAAHN O=C(NCCN1CCCC1)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037588136 569796884 /nfs/dbraw/zinc/79/68/84/569796884.db2.gz WOUQIJWNBBZMQC-UHFFFAOYSA-N 0 3 468.367 4.617 50 0 JJAAHN O=C(NCCN1CCCC1)c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1 ZINC000037587874 569796737 /nfs/dbraw/zinc/79/67/37/569796737.db2.gz CTZQVERDUBCTAT-UHFFFAOYSA-N 0 3 466.832 4.993 50 0 JJAAHN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n[nH]1 ZINC000038486475 569801464 /nfs/dbraw/zinc/80/14/64/569801464.db2.gz PKHKEJQCHMOMOU-UHFFFAOYSA-N 0 3 461.566 4.606 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccs1)Sc1ccccc1-2 ZINC000039360232 569809502 /nfs/dbraw/zinc/80/95/02/569809502.db2.gz GZQIVYVSTZMHSP-MHECFPHRSA-N 0 3 479.671 4.811 50 0 JJAAHN Cc1cc(=O)c(C(=O)NC[C@@H]2CCCN(C)C2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000039445284 569809976 /nfs/dbraw/zinc/80/99/76/569809976.db2.gz LSNPKBWELAYNGL-MHECFPHRSA-N 0 3 479.671 4.669 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102691433 569815877 /nfs/dbraw/zinc/81/58/77/569815877.db2.gz ASXVFWBECPQAOH-FSSWDIPSSA-N 0 3 452.869 4.539 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1OC ZINC000102723697 569817653 /nfs/dbraw/zinc/81/76/53/569817653.db2.gz IJMYYCGLMIZEQX-RGSZASNESA-N 0 3 480.520 4.908 50 0 JJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1 ZINC000102728015 569817901 /nfs/dbraw/zinc/81/79/01/569817901.db2.gz PIXHGMNZUYLXTO-ZONZVBGPSA-N 0 3 480.520 4.908 50 0 JJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102739054 569818960 /nfs/dbraw/zinc/81/89/60/569818960.db2.gz BWJOUYSEFHXRDJ-JIMJEQGWSA-N 0 3 466.493 4.605 50 0 JJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000102756757 569821389 /nfs/dbraw/zinc/82/13/89/569821389.db2.gz GAZHQWQMDQVGHO-WXFUMESZSA-N 0 3 478.932 4.717 50 0 JJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000102756757 569821390 /nfs/dbraw/zinc/82/13/90/569821390.db2.gz GAZHQWQMDQVGHO-WXFUMESZSA-N 0 3 478.932 4.717 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000102861342 569824946 /nfs/dbraw/zinc/82/49/46/569824946.db2.gz LWPNXNWVCGBEOG-BHIFYINESA-N 0 3 476.554 4.593 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000102861337 569825043 /nfs/dbraw/zinc/82/50/43/569825043.db2.gz LWPNXNWVCGBEOG-FDFHNCONSA-N 0 3 476.554 4.593 50 0 JJAAHN CC[C@@H]1CN(CCC(=O)N[C@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000104452777 569845778 /nfs/dbraw/zinc/84/57/78/569845778.db2.gz GQKLYLYPZABQGU-QDPGVEIFSA-N 0 3 459.590 4.668 50 0 JJAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000105012933 569851209 /nfs/dbraw/zinc/85/12/09/569851209.db2.gz HZFRMNIPCQEKSQ-DYESRHJHSA-N 0 3 459.537 4.859 50 0 JJAAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000137754503 569865234 /nfs/dbraw/zinc/86/52/34/569865234.db2.gz GKUKRAQJHRKUNW-PCCBWWKXSA-N 0 3 472.394 4.775 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000137754503 569865235 /nfs/dbraw/zinc/86/52/35/569865235.db2.gz GKUKRAQJHRKUNW-PCCBWWKXSA-N 0 3 472.394 4.775 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000137842632 569865260 /nfs/dbraw/zinc/86/52/60/569865260.db2.gz OVBRODNAMZDVAL-RBZQAINGSA-N 0 3 478.932 4.717 50 0 JJAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@@H](O)COCc1ccco1 ZINC000169679470 569869707 /nfs/dbraw/zinc/86/97/07/569869707.db2.gz SEOVLNBHXLYQKU-RBBKRZOGSA-N 0 3 455.599 4.957 50 0 JJAAHN CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn(C3CCC(O)CC3)c2n1 ZINC000210464182 569876018 /nfs/dbraw/zinc/87/60/18/569876018.db2.gz MJSHVHLADKXCML-UHFFFAOYSA-N 0 3 476.669 4.534 50 0 JJAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000229616170 570040715 /nfs/dbraw/zinc/04/07/15/570040715.db2.gz NHAQAWKNVZFSDC-WPQKMFINSA-N 0 3 497.554 4.938 50 0 JJAAHN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000229792710 570041303 /nfs/dbraw/zinc/04/13/03/570041303.db2.gz JVZRARCVOJHXPK-BERHBOFZSA-N 0 3 465.638 4.586 50 0 JJAAHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000229943236 570042549 /nfs/dbraw/zinc/04/25/49/570042549.db2.gz DZYCNEOIDRKCLN-BHDDXSALSA-N 0 3 463.331 4.809 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000229943236 570042550 /nfs/dbraw/zinc/04/25/50/570042550.db2.gz DZYCNEOIDRKCLN-BHDDXSALSA-N 0 3 463.331 4.809 50 0 JJAAHN CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OCC)c2)cc1 ZINC000245309705 570063078 /nfs/dbraw/zinc/06/30/78/570063078.db2.gz FRXKTFLXEFCHHX-TWJOJJKGSA-N 0 3 488.540 4.631 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000245309705 570063079 /nfs/dbraw/zinc/06/30/79/570063079.db2.gz FRXKTFLXEFCHHX-TWJOJJKGSA-N 0 3 488.540 4.631 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(Br)c4)[C@H]3C2=O)cc1 ZINC000245324839 570064062 /nfs/dbraw/zinc/06/40/62/570064062.db2.gz AGYOFJYQOBMALH-YPAWHYETSA-N 0 3 481.321 4.948 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000245324870 570064101 /nfs/dbraw/zinc/06/41/01/570064101.db2.gz BGTOLEVKKWBDTR-BHIFYINESA-N 0 3 468.431 4.945 50 0 JJAAHN CC[C@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327406 570065281 /nfs/dbraw/zinc/06/52/81/570065281.db2.gz IYPMEVAZYMZVCI-NZQKXSOJSA-N 0 3 462.631 4.511 50 0 JJAAHN O=C(c1cc2ccccc2o1)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252479023 570081606 /nfs/dbraw/zinc/08/16/06/570081606.db2.gz AZPVSQJBFRGKFP-UHFFFAOYSA-N 0 3 457.496 4.878 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](C=Cc3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000252611910 570086196 /nfs/dbraw/zinc/08/61/96/570086196.db2.gz IOHXZAQEYNFZBB-KGTMZJJCSA-N 0 3 475.342 4.841 50 0 JJAAHN CN(C)CCCn1c(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)csc1=Nc1ccccc1 ZINC000252679176 570094156 /nfs/dbraw/zinc/09/41/56/570094156.db2.gz JAPQGRUOTLHROT-UHFFFAOYSA-N 0 3 498.718 4.965 50 0 JJAAHN Fc1ccccc1Cn1cc(CNCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491767 570169859 /nfs/dbraw/zinc/16/98/59/570169859.db2.gz IJVUVRWGQAZYQY-UHFFFAOYSA-N 0 3 458.566 4.686 50 0 JJAAHN Cc1c(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)sc2ncnc(NCc3ccco3)c12 ZINC000299764081 570175090 /nfs/dbraw/zinc/17/50/90/570175090.db2.gz KDVQXHFDCUYYBQ-UHFFFAOYSA-N 0 3 487.629 4.868 50 0 JJAAHN COc1cccc(-n2c(SCCN3CCCC3)nnc2C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000299777221 570176207 /nfs/dbraw/zinc/17/62/07/570176207.db2.gz BHOBFHZBIQDUIQ-UHFFFAOYSA-N 0 3 495.668 4.983 50 0 JJAAHN Cc1ccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1 ZINC000299785311 570176607 /nfs/dbraw/zinc/17/66/07/570176607.db2.gz XWOSAWITUFTTSJ-WIOPSUGQSA-N 0 3 456.030 4.590 50 0 JJAAHN COc1cccc2c1OCCCN(C1CCN(c3cccc(NC(=O)c4cccnc4)c3)CC1)C2 ZINC000299787865 570176775 /nfs/dbraw/zinc/17/67/75/570176775.db2.gz YIPDXYPFTFZURY-UHFFFAOYSA-N 0 3 472.589 4.596 50 0 JJAAHN C[C@H](NC1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cnn(-c2ccccc2)c1 ZINC000299798617 570177397 /nfs/dbraw/zinc/17/73/97/570177397.db2.gz TWIGJIGGIWYLDI-NRFANRHFSA-N 0 3 466.589 4.839 50 0 JJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2nc(C)c(Cl)c2C)c1 ZINC000001294267 194081861 /nfs/dbraw/zinc/08/18/61/194081861.db2.gz IDTCDVWPZBGULV-XMMPIXPASA-N 0 3 450.970 4.935 50 0 biogenic JJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)NCCC3=CCCCC3)CC23CCCCC3)cc1 ZINC000002944250 194175828 /nfs/dbraw/zinc/17/58/28/194175828.db2.gz OZOBBRUCLYIPRA-UHFFFAOYSA-N 0 3 482.738 4.697 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NC1CCCCC1 ZINC000002967991 194185757 /nfs/dbraw/zinc/18/57/57/194185757.db2.gz CYDUKSXULKYLNO-OAQYLSRUSA-N 0 3 464.566 4.557 50 0 JJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4ccc(C)cc4)N3C2=O)cc1 ZINC000002968484 194186117 /nfs/dbraw/zinc/18/61/17/194186117.db2.gz PUUKJHARNLRRBY-XMMPIXPASA-N 0 3 498.608 4.602 50 0 JJAAHN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)cc1Cl ZINC000002973563 194189827 /nfs/dbraw/zinc/18/98/27/194189827.db2.gz OJEVGRBYSIFLBV-UHFFFAOYSA-N 0 3 485.053 4.965 50 0 JJAAHN COc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)N2CCCCC2)cc1 ZINC000012634311 195065909 /nfs/dbraw/zinc/06/59/09/195065909.db2.gz PAGXWHPDWQQTLU-VSGBNLITSA-N 0 3 494.680 4.757 50 0 JJAAHN CC(C)[NH+](CCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(C)C ZINC000012764925 195113064 /nfs/dbraw/zinc/11/30/64/195113064.db2.gz OYVKJBFDGNGWSE-QGZVFWFLSA-N 0 3 472.680 4.508 50 0 JJAAHN Cc1cc(=O)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882783 195169553 /nfs/dbraw/zinc/16/95/53/195169553.db2.gz ZMCLAKRFLJWBKS-MHECFPHRSA-N 0 3 484.522 4.515 50 0 JJAAHN CCN1CCN(CCNC(=O)c2ccc3nc(-c4cccc(C)c4)c(-c4cccc(C)c4)nc3c2)CC1 ZINC000020616515 195188138 /nfs/dbraw/zinc/18/81/38/195188138.db2.gz NRRCXVFYARJXRE-UHFFFAOYSA-N 0 3 493.655 4.948 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000020920100 195247416 /nfs/dbraw/zinc/24/74/16/195247416.db2.gz UJUYCDQYUGUYKD-HVKFLMNHSA-N 0 3 482.669 4.780 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000020920106 195247431 /nfs/dbraw/zinc/24/74/31/195247431.db2.gz UJUYCDQYUGUYKD-CBIUGAAKSA-N 0 3 482.669 4.780 50 0 JJAAHN COc1cc(OC)c(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)cc1Cl ZINC000020927225 195249380 /nfs/dbraw/zinc/24/93/80/195249380.db2.gz PGJJCOZQNVIXSZ-UHFFFAOYSA-N 0 3 460.987 4.519 50 0 JJAAHN Cc1cc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)ccc1Br ZINC000020927354 195249671 /nfs/dbraw/zinc/24/96/71/195249671.db2.gz DCGPGZSNTLUYKB-UHFFFAOYSA-N 0 3 459.413 4.919 50 0 JJAAHN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCN(CC)CC)C3=O)s1 ZINC000021526025 195304898 /nfs/dbraw/zinc/30/48/98/195304898.db2.gz NJOKKZLYXOFOEK-AREMUKBSSA-N 0 3 472.699 4.661 50 0 JJAAHN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1=O ZINC000058160771 195368958 /nfs/dbraw/zinc/36/89/58/195368958.db2.gz JTIOCRCOJCVATL-BVAGGSTKSA-N 0 3 482.628 4.557 50 0 JJAAHN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(=O)c2cccs2)cc1 ZINC000096290845 130041249 /nfs/dbraw/zinc/04/12/49/130041249.db2.gz RBAGMRXYQJJXPY-UHFFFAOYSA-N 0 3 493.050 4.682 50 0 JJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102862138 130333262 /nfs/dbraw/zinc/33/32/62/130333262.db2.gz PKKVEPJHYSGKOU-PCCBWWKXSA-N 0 3 482.945 4.629 50 0 JJAAHN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCN(C5CCCCC5)CC4)[nH]c(=O)c23)C1 ZINC000021882620 518944696 /nfs/dbraw/zinc/94/46/96/518944696.db2.gz RXKFWNHZSMJYPX-GOSISDBHSA-N 0 3 484.710 4.545 50 0 JJAAHN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3n2)cc1 ZINC000021662824 519708084 /nfs/dbraw/zinc/70/80/84/519708084.db2.gz NLKVEHCJDQXKPY-UHFFFAOYSA-N 0 3 456.590 4.951 50 0 JJAAHN CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 ZINC000014749801 519719442 /nfs/dbraw/zinc/71/94/42/519719442.db2.gz OSNHLYJGQDWTCE-UHFFFAOYSA-N 0 3 470.617 4.590 50 0 JJAAHN CCOC(=O)C1C(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412497 520520601 /nfs/dbraw/zinc/52/06/01/520520601.db2.gz XDRMFTDUKASQOT-AMIYKVBISA-N 0 3 465.638 4.669 50 0 JJAAHN CCOC(=O)C1=C(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412497 520520603 /nfs/dbraw/zinc/52/06/03/520520603.db2.gz XDRMFTDUKASQOT-AMIYKVBISA-N 0 3 465.638 4.669 50 0 JJAAHN C=C1C(NCCCN2CCC(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465732 520842408 /nfs/dbraw/zinc/84/24/08/520842408.db2.gz WXJVSTPNPDOBLD-UHFFFAOYSA-N 0 3 465.663 4.711 50 0 JJAAHN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCCCC4)c3)C2)cc1 ZINC000033035154 521084244 /nfs/dbraw/zinc/08/42/44/521084244.db2.gz TYQNKDGHNNJBGR-XMMPIXPASA-N 0 3 478.637 4.713 50 0 JJAAHN CCC(CC)C(=O)NCc1nnc(SCCN2CCCC2)n1-c1cccc(C(F)(F)F)c1 ZINC000014987420 521497630 /nfs/dbraw/zinc/49/76/30/521497630.db2.gz UXBXPFIRTOCKNI-UHFFFAOYSA-N 0 3 469.577 4.526 50 0 JJAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc(-c3ccco3)c1)CC2 ZINC000014742349 521527277 /nfs/dbraw/zinc/52/72/77/521527277.db2.gz KZGURWKRGQWHOK-UHFFFAOYSA-N 0 3 473.573 4.774 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000013629962 521654794 /nfs/dbraw/zinc/65/47/94/521654794.db2.gz FQTZYOKHLJMFOB-IBGZPJMESA-N 0 3 462.521 4.797 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036306234 521678102 /nfs/dbraw/zinc/67/81/02/521678102.db2.gz MQHSDKJMMCLRBC-JOCHJYFZSA-N 0 3 467.610 4.886 50 0 JJAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000020386435 521724463 /nfs/dbraw/zinc/72/44/63/521724463.db2.gz CPRHYAMRLGSPBZ-INIZCTEOSA-N 0 3 454.596 4.817 50 0 JJAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000036068742 521789260 /nfs/dbraw/zinc/78/92/60/521789260.db2.gz GQJGYGJTQATHGS-UHFFFAOYSA-N 0 3 466.601 4.605 50 0 JJAAHN COc1c(C)cc([C@H]2CCc3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cn3C2)cc1C ZINC000034899226 521800298 /nfs/dbraw/zinc/80/02/98/521800298.db2.gz AUXHFAOCXVTJBF-QHCPKHFHSA-N 0 3 472.633 4.633 50 0 JJAAHN CN(CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)Cc1ccccc1 ZINC000021864144 522744341 /nfs/dbraw/zinc/74/43/41/522744341.db2.gz KPMIROWAHZZCQL-LJAQVGFWSA-N 0 3 488.632 4.544 50 0 JJAAHN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCC1CCN(Cc2cc(C)ccc2C)CC1 ZINC000008600323 523305804 /nfs/dbraw/zinc/30/58/04/523305804.db2.gz DJAWLFAMVHWIRO-UHFFFAOYSA-N 0 3 497.661 4.774 50 0 JJAAHN CCn1nc(C)c(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)Cc2cccs2)[C@@H]3OC)c1C ZINC000014884208 523641651 /nfs/dbraw/zinc/64/16/51/523641651.db2.gz MHUZBNWEOYMVJU-SXOMAYOGSA-N 0 3 492.689 4.544 50 0 JJAAHN CCc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000012330773 523700988 /nfs/dbraw/zinc/70/09/88/523700988.db2.gz QAPHYKWNFFPTAY-AREMUKBSSA-N 0 3 471.645 4.919 50 0 JJAAHN COCCN(Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1c(F)cccc1Cl)C(C)C ZINC000014888691 523753925 /nfs/dbraw/zinc/75/39/25/523753925.db2.gz YVPFIAWYZHXIAM-UHFFFAOYSA-N 0 3 493.988 4.985 50 0 JJAAHN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCc3ccc(CN4CCCCCC4)o3)C2)s1 ZINC000033078459 523848250 /nfs/dbraw/zinc/84/82/50/523848250.db2.gz NPDQQTMHFOLPKK-LJQANCHMSA-N 0 3 481.666 4.756 50 0 JJAAHN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)C2)s1 ZINC000033078449 523848486 /nfs/dbraw/zinc/84/84/86/523848486.db2.gz NOMIJWNFGSMMOM-HSZRJFAPSA-N 0 3 491.705 4.807 50 0 JJAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2cc4ccccc4o2)CC3)cc1 ZINC000014744230 523945049 /nfs/dbraw/zinc/94/50/49/523945049.db2.gz YLHLDPLVKQCWRS-UHFFFAOYSA-N 0 3 489.616 4.939 50 0 JJAAHN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000012279834 523951838 /nfs/dbraw/zinc/95/18/38/523951838.db2.gz ICBUBCNMSQKIKB-AREMUKBSSA-N 0 3 496.648 4.854 50 0 JJAAHN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2cccc(C(F)(F)F)c2)c1 ZINC000036065427 524099004 /nfs/dbraw/zinc/09/90/04/524099004.db2.gz JMWSVRHWWFMTAP-UHFFFAOYSA-N 0 3 488.554 4.804 50 0 JJAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002170 524113762 /nfs/dbraw/zinc/11/37/62/524113762.db2.gz TYVWTCZAHDHAJW-OAQYLSRUSA-N 0 3 492.067 4.819 50 0 JJAAHN Cc1cccc(C(=O)N2CCOc3ccc(CN4CCC(OCc5ccccc5)CC4)cc3C2)n1 ZINC000014965363 524182061 /nfs/dbraw/zinc/18/20/61/524182061.db2.gz COTDEBSPJPILSM-UHFFFAOYSA-N 0 3 471.601 4.606 50 0 JJAAHN COc1ccccc1CN1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000012454305 524448681 /nfs/dbraw/zinc/44/86/81/524448681.db2.gz DQGBLJYKPPNUJE-XMMPIXPASA-N 0 3 478.662 4.986 50 0 JJAAHN C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000014883400 524463823 /nfs/dbraw/zinc/46/38/23/524463823.db2.gz KZPYNMBURYZDBI-OAQYLSRUSA-N 0 3 472.585 4.992 50 0 JJAAHN Cc1ccccc1-c1cccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)c1 ZINC000014732513 525005203 /nfs/dbraw/zinc/00/52/03/525005203.db2.gz XQYPQYDYZLAEME-UHFFFAOYSA-N 0 3 482.628 4.918 50 0 JJAAHN COc1ccc([C@@H](CNCc2cccc(NC(=O)c3ccccc3Cl)c2)N2CCOCC2)cc1 ZINC000024754442 525187394 /nfs/dbraw/zinc/18/73/94/525187394.db2.gz KJAGPBUYBALXHR-AREMUKBSSA-N 0 3 480.008 4.764 50 0 JJAAHN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1CCCN1CCCCC1 ZINC000021809864 525202166 /nfs/dbraw/zinc/20/21/66/525202166.db2.gz ZKJJOVMPYOIPDL-AREMUKBSSA-N 0 3 470.683 4.632 50 0 JJAAHN C[C@]1(C2CCN(Cc3cc4ccccc4s3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012197712 525239128 /nfs/dbraw/zinc/23/91/28/525239128.db2.gz JHLHOEYAWHPSSC-RUZDIDTESA-N 0 3 451.567 4.763 50 0 JJAAHN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCN(C)C4)c2)OCCN(Cc2cn(C)nc2C)C3)s1 ZINC000014994220 525739835 /nfs/dbraw/zinc/73/98/35/525739835.db2.gz CMBILEFVNDMYDC-OAQYLSRUSA-N 0 3 480.678 4.881 50 0 JJAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3ccccc3OC)CC2)c1 ZINC000012454149 525749602 /nfs/dbraw/zinc/74/96/02/525749602.db2.gz OVLFPKAPDPIXGA-DEOSSOPVSA-N 0 3 494.661 4.935 50 0 JJAAHN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)Cc3ccccc3)n2)cc1Cl ZINC000036147546 525877915 /nfs/dbraw/zinc/87/79/15/525877915.db2.gz MUCKMUWHYFDMFZ-NRFANRHFSA-N 0 3 451.954 4.940 50 0 JJAAHN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1Cl ZINC000036147543 525878704 /nfs/dbraw/zinc/87/87/04/525878704.db2.gz MUCKMUWHYFDMFZ-OAQYLSRUSA-N 0 3 451.954 4.940 50 0 JJAAHN COc1cccc(C[C@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014995503 526076109 /nfs/dbraw/zinc/07/61/09/526076109.db2.gz JIAFHGLPDBYHKR-MUUNZHRXSA-N 0 3 485.628 4.621 50 0 JJAAHN Cc1cc(=O)c(C(=O)NCC(C)(C)CN(C)C)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000014985716 526128241 /nfs/dbraw/zinc/12/82/41/526128241.db2.gz HQDIWWDUYYWJPW-HSZRJFAPSA-N 0 3 481.687 4.915 50 0 JJAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC[C@@H]1CCCO ZINC000012464032 526706936 /nfs/dbraw/zinc/70/69/36/526706936.db2.gz DMDGSNNAESPBAH-RUZDIDTESA-N 0 3 450.623 4.540 50 0 JJAAHN Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000014990150 526801681 /nfs/dbraw/zinc/80/16/81/526801681.db2.gz KQEPUFOYSUCQFU-NDEPHWFRSA-N 0 3 494.607 4.694 50 0 JJAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Br)cc1F ZINC000004441251 526846211 /nfs/dbraw/zinc/84/62/11/526846211.db2.gz IUNZGOJAEFGMAA-UHFFFAOYSA-N 0 3 456.315 4.765 50 0 JJAAHN O=S(=O)(c1ccc2nc(NCC3CCN(Cc4ccc(Cl)cc4)CC3)ccc2c1)N1CCCC1 ZINC000021881965 527281754 /nfs/dbraw/zinc/28/17/54/527281754.db2.gz WFMHQLMIGQNVSO-UHFFFAOYSA-N 0 3 499.080 4.997 50 0 JJAAHN Cn1cccc1CN1CCC(c2nnc(SCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC000012245209 527391561 /nfs/dbraw/zinc/39/15/61/527391561.db2.gz QSNSUCDDCWTKNR-QHCPKHFHSA-N 0 3 457.688 4.848 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355554 527530891 /nfs/dbraw/zinc/53/08/91/527530891.db2.gz RMYCSIIBHMUMAE-UHFFFAOYSA-N 0 3 488.535 4.809 50 0 JJAAHN Cc1cc(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1Cl ZINC000008431575 554584577 /nfs/dbraw/zinc/58/45/77/554584577.db2.gz PVLNJLJSYQPYCO-NRFANRHFSA-N 0 3 493.003 4.550 50 0 JJAAHN Cc1cc(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1Cl ZINC000008431571 554584627 /nfs/dbraw/zinc/58/46/27/554584627.db2.gz PVLNJLJSYQPYCO-OAQYLSRUSA-N 0 3 493.003 4.550 50 0 JJAAHN O=C(NCCN1CCCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008912920 554803850 /nfs/dbraw/zinc/80/38/50/554803850.db2.gz UFHBRFWUHMENNJ-UHFFFAOYSA-N 0 3 485.657 4.988 50 0 JJAAHN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NC1CCN(Cc2ccccc2)CC1 ZINC000008991834 554852910 /nfs/dbraw/zinc/85/29/10/554852910.db2.gz LRDZDFYHEKDFPL-UHFFFAOYSA-N 0 3 468.553 4.620 50 0 biogenic JJAAHN C[C@H](CNC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1)c1ccccc1 ZINC000009251635 555025977 /nfs/dbraw/zinc/02/59/77/555025977.db2.gz XOXTYURKEAIKCH-HSZRJFAPSA-N 0 3 467.617 4.795 50 0 JJAAHN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000009265337 555041081 /nfs/dbraw/zinc/04/10/81/555041081.db2.gz CUTZTELCFYEOGK-UHFFFAOYSA-N 0 3 475.545 4.881 50 0 JJAAHN Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000009266378 555042873 /nfs/dbraw/zinc/04/28/73/555042873.db2.gz ANHOUIALXQFINY-UHFFFAOYSA-N 0 3 457.553 4.571 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000009281420 555050797 /nfs/dbraw/zinc/05/07/97/555050797.db2.gz OKEQKOVOMLRCPE-HSZRJFAPSA-N 0 3 487.523 4.975 50 0 JJAAHN CC[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289268 555063690 /nfs/dbraw/zinc/06/36/90/555063690.db2.gz RTDYDHQIQUWHHU-JOCHJYFZSA-N 0 3 474.630 4.652 50 0 JJAAHN O=C(CSc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000009388783 555149799 /nfs/dbraw/zinc/14/97/99/555149799.db2.gz FEXBSKIHHMQQNM-UHFFFAOYSA-N 0 3 477.605 4.951 50 0 JJAAHN COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3CCC(C)CC3)cc2[O-])cc1OC ZINC000009410850 555177912 /nfs/dbraw/zinc/17/79/12/555177912.db2.gz FNHRDOSEEFXKLJ-UHFFFAOYSA-N 0 3 451.567 4.886 50 0 JJAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009497663 555282054 /nfs/dbraw/zinc/28/20/54/555282054.db2.gz NQBNIUNDIFPQCP-HXUWFJFHSA-N 0 3 456.384 4.813 50 0 JJAAHN O[C@@H](COc1ccccc1)CN(CCc1ccc(Cl)cc1Cl)C[C@H](O)COc1ccccc1 ZINC000013149388 555352261 /nfs/dbraw/zinc/35/22/61/555352261.db2.gz SUWIQHPKSBUVAQ-ZRZAMGCNSA-N 0 3 490.427 4.718 50 0 JJAAHN C[C@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)N1CCCCCC1 ZINC000009560316 555356562 /nfs/dbraw/zinc/35/65/62/555356562.db2.gz PBTMIABCYNCYKX-HXUWFJFHSA-N 0 3 460.574 4.916 50 0 JJAAHN CN(C)[C@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000009562775 555364269 /nfs/dbraw/zinc/36/42/69/555364269.db2.gz WXSMUTURGSUPMK-CLJLJLNGSA-N 0 3 489.019 4.582 50 0 JJAAHN O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCN(C2CCCCC2)CC1 ZINC000013360274 555385830 /nfs/dbraw/zinc/38/58/30/555385830.db2.gz SFVARBFJRICPCC-UHFFFAOYSA-N 0 3 460.544 4.860 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000009583964 555392352 /nfs/dbraw/zinc/39/23/52/555392352.db2.gz OKEQKOVOMLRCPE-QHCPKHFHSA-N 0 3 487.523 4.975 50 0 JJAAHN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000009609827 555438682 /nfs/dbraw/zinc/43/86/82/555438682.db2.gz MDLONQFJAAEJPC-UHFFFAOYSA-N 0 3 497.643 4.735 50 0 JJAAHN COc1ccccc1CN1CCC(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000009610451 555441123 /nfs/dbraw/zinc/44/11/23/555441123.db2.gz IFFRFJRTVXDZRE-UHFFFAOYSA-N 0 3 497.643 4.996 50 0 JJAAHN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c1-c1ccccc1 ZINC000009614572 555451479 /nfs/dbraw/zinc/45/14/79/555451479.db2.gz YPODBEIEOMFJRU-PMERELPUSA-N 0 3 492.623 4.603 50 0 JJAAHN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000013554869 555493545 /nfs/dbraw/zinc/49/35/45/555493545.db2.gz TZPJWTBTCFZLOS-HSZRJFAPSA-N 0 3 487.523 4.975 50 0 JJAAHN C[C@@H]1CN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@@H](C)O1 ZINC000019939399 555557612 /nfs/dbraw/zinc/55/76/12/555557612.db2.gz JYYUZJCGIJKDKE-CPUCHLNUSA-N 0 3 496.243 4.790 50 0 JJAAHN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CCCCN1[C@@H]2c1ccc(Br)cc1 ZINC000013749768 555608482 /nfs/dbraw/zinc/60/84/82/555608482.db2.gz CXDSWJNSKIAUTF-UAFMIMERSA-N 0 3 459.771 4.818 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccccc1F ZINC000013788389 555620168 /nfs/dbraw/zinc/62/01/68/555620168.db2.gz IQVSGJGTBVUQAH-NJDAHSKKSA-N 0 3 485.284 4.778 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000013810695 555626150 /nfs/dbraw/zinc/62/61/50/555626150.db2.gz TZHBVQBOBJMIHW-QHAWAJNXSA-N 0 3 456.395 4.896 50 0 JJAAHN COc1cc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000013940488 555651173 /nfs/dbraw/zinc/65/11/73/555651173.db2.gz YJKAYKYJNXCHNF-UHFFFAOYSA-N 0 3 488.628 4.507 50 0 JJAAHN COc1ccc([C@H](CN[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116567 555692205 /nfs/dbraw/zinc/69/22/05/555692205.db2.gz ZXNLYNQKRJINMN-JTSKRJEESA-N 0 3 457.530 4.654 50 0 JJAAHN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000014141853 555707016 /nfs/dbraw/zinc/70/70/16/555707016.db2.gz AZKWHTCVJGXYNZ-SANMLTNESA-N 0 3 454.574 4.640 50 0 JJAAHN COc1ccc([C@@H](CN[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000014142425 555707897 /nfs/dbraw/zinc/70/78/97/555707897.db2.gz NSQXEKXLPZFDLY-WZONZLPQSA-N 0 3 471.557 4.696 50 0 JJAAHN O=c1c2c(ncn1Cc1cccc(C(F)(F)F)c1)sc1c2CC[C@@H](NCc2cccnc2)C1 ZINC000020235617 555728240 /nfs/dbraw/zinc/72/82/40/555728240.db2.gz ITLBQKRMVUNPQG-GOSISDBHSA-N 0 3 470.520 4.567 50 0 JJAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531111 555798466 /nfs/dbraw/zinc/79/84/66/555798466.db2.gz QYLXVULXXMQLLL-MHZLTWQESA-N 0 3 471.576 4.551 50 0 JJAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020532249 555801215 /nfs/dbraw/zinc/80/12/15/555801215.db2.gz ZTLMQFRQKFXQPX-MRXNPFEDSA-N 0 3 452.580 4.571 50 0 JJAAHN Cc1cccc(-c2nc3cc4c(cc3cc2CN(CCN(C)C)C(=O)[C@@H]2CCCO2)CCC4)c1 ZINC000011785977 555818936 /nfs/dbraw/zinc/81/89/36/555818936.db2.gz QHIAQWFISKXIJJ-MHZLTWQESA-N 0 3 457.618 4.768 50 0 JJAAHN Cc1ccc(F)c(CNC2CCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)c1F ZINC000011787015 555820599 /nfs/dbraw/zinc/82/05/99/555820599.db2.gz ORUCHFVGPKDTGT-UHFFFAOYSA-N 0 3 493.554 4.691 50 0 JJAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014537259 555826729 /nfs/dbraw/zinc/82/67/29/555826729.db2.gz SFTDCBKWONMGQE-UHFFFAOYSA-N 0 3 453.586 4.825 50 0 JJAAHN Cn1c(SCCN2CCCCC2)nnc1C1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000011813277 555828754 /nfs/dbraw/zinc/82/87/54/555828754.db2.gz KPZFHTJCBNCCDI-PYCFMQQDSA-N 0 3 460.091 4.852 50 0 JJAAHN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3c[nH]c4ccccc34)CC2)N1CCc1ccccc1 ZINC000014539547 555829321 /nfs/dbraw/zinc/82/93/21/555829321.db2.gz LLKRTRIGPOSRMC-UHFFFAOYSA-N 0 3 493.611 4.605 50 0 JJAAHN O=C1N(Cc2cccnc2)C(=O)C2(CCN(C/C=C/c3ccccc3)CC2)N1CCc1ccccc1 ZINC000014540601 555830838 /nfs/dbraw/zinc/83/08/38/555830838.db2.gz YXSBZGLALVAUCW-RIYZIHGNSA-N 0 3 480.612 4.637 50 0 JJAAHN Cc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)Cc2ccccc2)[C@@H]3O)cc1C ZINC000011838872 555832267 /nfs/dbraw/zinc/83/22/67/555832267.db2.gz BQFUJNMQAWITTP-WDYNHAJCSA-N 0 3 454.614 4.612 50 0 JJAAHN C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000011847316 555834956 /nfs/dbraw/zinc/83/49/56/555834956.db2.gz QNYKNOXEGLLUAM-FGCOXFRFSA-N 0 3 492.660 4.740 50 0 JJAAHN COc1ccc2cc(CN(CCN(C)C)C(=O)c3csc(C)n3)c(-c3cccs3)nc2c1 ZINC000015003179 555848267 /nfs/dbraw/zinc/84/82/67/555848267.db2.gz BNUCPJZZOPVSOA-UHFFFAOYSA-N 0 3 466.632 4.941 50 0 JJAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(C(F)(F)F)cc1 ZINC000015004441 555849537 /nfs/dbraw/zinc/84/95/37/555849537.db2.gz LQINTNZMJLOVAL-QGZVFWFLSA-N 0 3 454.876 4.758 50 0 JJAAHN CCN(CC)CCNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccc(F)c(F)c1)Sc1ccccc1-2 ZINC000011910535 555858101 /nfs/dbraw/zinc/85/81/01/555858101.db2.gz RZDWWCXRRAVIPG-VWLOTQADSA-N 0 3 497.611 4.885 50 0 JJAAHN O=C(c1cnsn1)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000011910530 555858130 /nfs/dbraw/zinc/85/81/30/555858130.db2.gz CFUQCNXJTPTWRW-UHFFFAOYSA-N 0 3 476.646 4.676 50 0 JJAAHN Cc1ccc(CN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)c(C)c1 ZINC000011912954 555862257 /nfs/dbraw/zinc/86/22/57/555862257.db2.gz JJYPOYJLLFJXQO-UHFFFAOYSA-N 0 3 457.618 4.577 50 0 JJAAHN COc1cc(CN2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc(OC)c1 ZINC000012036565 555889501 /nfs/dbraw/zinc/88/95/01/555889501.db2.gz YZWCLRSYCYVLOJ-AREMUKBSSA-N 0 3 462.634 4.934 50 0 JJAAHN O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000012041304 555894018 /nfs/dbraw/zinc/89/40/18/555894018.db2.gz DIZRMTGYJPMHIY-UHFFFAOYSA-N 0 3 474.649 4.983 50 0 JJAAHN COc1cc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1OCc1ccccc1 ZINC000022241831 555895409 /nfs/dbraw/zinc/89/54/09/555895409.db2.gz CUNJCXLHIAJVEP-UHFFFAOYSA-N 0 3 499.655 4.835 50 0 JJAAHN CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000012097901 555905048 /nfs/dbraw/zinc/90/50/48/555905048.db2.gz MFCMEPKIJWPMGP-RPWUZVMVSA-N 0 3 450.966 4.967 50 0 JJAAHN COc1cccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c1OC ZINC000012098923 555906160 /nfs/dbraw/zinc/90/61/60/555906160.db2.gz OXGGWOZGLZXVQN-NQIIRXRSSA-N 0 3 462.512 4.736 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccsc1)Sc1ccccc1-2 ZINC000012162765 555931342 /nfs/dbraw/zinc/93/13/42/555931342.db2.gz CBMZHJDZUYEJHJ-DVECYGJZSA-N 0 3 479.671 4.811 50 0 JJAAHN CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015681872 555951169 /nfs/dbraw/zinc/95/11/69/555951169.db2.gz QCPHGARQLCGEMY-UHFFFAOYSA-N 0 3 490.623 4.878 50 0 JJAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)o1 ZINC000015727620 555966756 /nfs/dbraw/zinc/96/67/56/555966756.db2.gz KFNLVTIPYHIDQE-IBGZPJMESA-N 0 3 465.598 4.809 50 0 JJAAHN CC(C)[C@H](CNc1ncnc2scc(-c3ccc(Br)cc3)c21)N1CCN(C)CC1 ZINC000022930961 555984159 /nfs/dbraw/zinc/98/41/59/555984159.db2.gz ZWMJQWGFVJRFRO-IBGZPJMESA-N 0 3 474.472 4.805 50 0 JJAAHN CCN1CCN(Cc2ccc(NC(=O)C3=Cc4sc5c(c4CS3)CCCC5)cc2)CC1 ZINC000022936521 555989425 /nfs/dbraw/zinc/98/94/25/555989425.db2.gz MDWHBMFUBRDHJK-UHFFFAOYSA-N 0 3 453.677 4.991 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334410 556044079 /nfs/dbraw/zinc/04/40/79/556044079.db2.gz YDOZLNRDTHNSKY-RUZDIDTESA-N 0 3 457.622 4.948 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023334410 556044081 /nfs/dbraw/zinc/04/40/81/556044081.db2.gz YDOZLNRDTHNSKY-RUZDIDTESA-N 0 3 457.622 4.948 50 0 JJAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000012582837 556080516 /nfs/dbraw/zinc/08/05/16/556080516.db2.gz YGBFXAWIYYNRPM-UHFFFAOYSA-N 0 3 451.611 4.900 50 0 JJAAHN COc1cc(CNCc2ccc(CN3CCOCC3)cc2)ccc1OCCOc1ccccc1Cl ZINC000023908066 556100051 /nfs/dbraw/zinc/10/00/51/556100051.db2.gz YQXDSMKWDPTSQH-UHFFFAOYSA-N 0 3 497.035 4.928 50 0 JJAAHN Cc1ccc(S(=O)(=O)n2ccc3c2cccc3OCCOCCNCc2ccc(F)cc2)cc1 ZINC000012955041 556161345 /nfs/dbraw/zinc/16/13/45/556161345.db2.gz GDLPSJUKKQLBAU-UHFFFAOYSA-N 0 3 482.577 4.511 50 0 JJAAHN CN(C)[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000025424921 556214997 /nfs/dbraw/zinc/21/49/97/556214997.db2.gz WXSMUTURGSUPMK-UIOOFZCWSA-N 0 3 489.019 4.582 50 0 JJAAHN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)N(C)C)cc1 ZINC000013063105 556259083 /nfs/dbraw/zinc/25/90/83/556259083.db2.gz DJHGHMAEAMZRER-HSZRJFAPSA-N 0 3 469.944 4.773 50 0 JJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000018061925 556281924 /nfs/dbraw/zinc/28/19/24/556281924.db2.gz DATOMUUNBYGINO-VSKRKVRLSA-N 0 3 485.323 4.759 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018126249 556291453 /nfs/dbraw/zinc/29/14/53/556291453.db2.gz ROGZTUDBUVLFII-GVAUOCQISA-N 0 3 476.504 4.674 50 0 JJAAHN COc1cccc([C@@H](CN[C@@H](C)C(=O)N2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000013120355 556332835 /nfs/dbraw/zinc/33/28/35/556332835.db2.gz QYTIKQHKVYCSDU-YADARESESA-N 0 3 469.585 4.884 50 0 JJAAHN Cc1ccccc1-c1cccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000019740210 556364002 /nfs/dbraw/zinc/36/40/02/556364002.db2.gz SNOQQUKTUJJBPJ-MUUNZHRXSA-N 0 3 494.643 4.834 50 0 JJAAHN Cc1coc2cc3oc(=O)c(CCC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c3cc12 ZINC000030819200 556374774 /nfs/dbraw/zinc/37/47/74/556374774.db2.gz MOEGUWISQYLXOK-UHFFFAOYSA-N 0 3 458.558 4.869 50 0 JJAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817676 556383748 /nfs/dbraw/zinc/38/37/48/556383748.db2.gz WSAMNTPMYZUWQG-HXUWFJFHSA-N 0 3 465.435 4.567 50 0 JJAAHN CC(C)c1c(C(=O)NCCCN(C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031816637 556407516 /nfs/dbraw/zinc/40/75/16/556407516.db2.gz ZUAGXDLBQHAAKY-UHFFFAOYSA-N 0 3 459.516 4.661 50 0 JJAAHN COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cccnc1)C3 ZINC000023128572 563019923 /nfs/dbraw/zinc/01/99/23/563019923.db2.gz UEJBOCXPGHSONP-HXUWFJFHSA-N 0 3 482.609 4.710 50 0 JJAAHN COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cccnc1)C3 ZINC000023128571 563019929 /nfs/dbraw/zinc/01/99/29/563019929.db2.gz UEJBOCXPGHSONP-FQEVSTJZSA-N 0 3 482.609 4.710 50 0 JJAAHN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057251244 569594871 /nfs/dbraw/zinc/59/48/71/569594871.db2.gz KFXZZOARGZJURO-LFIBNONCSA-N 0 3 456.615 4.535 50 0 JJAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1Cl ZINC000057251265 569594981 /nfs/dbraw/zinc/59/49/81/569594981.db2.gz XTASIUFBUFBYDI-UHFFFAOYSA-N 0 3 465.022 4.789 50 0 JJAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983902 569607185 /nfs/dbraw/zinc/60/71/85/569607185.db2.gz TYTNAWDAJDOLNT-ONUIUJJFSA-N 0 3 487.987 4.890 50 0 JJAAHN O=C(c1ccccc1Oc1ccccc1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000060274557 569608640 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462.575 4.726 50 0 JJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830239 569663632 /nfs/dbraw/zinc/66/36/32/569663632.db2.gz ZHSNHDKMAJVTCV-MHZLTWQESA-N 0 3 481.706 4.891 50 0 JJAAHN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccc2c(c1)OCO2)C(C)C ZINC000034836828 569665828 /nfs/dbraw/zinc/66/58/28/569665828.db2.gz GMKXDIKYYGSTJZ-UHFFFAOYSA-N 0 3 489.664 4.716 50 0 JJAAHN CCOCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314994 569672644 /nfs/dbraw/zinc/67/26/44/569672644.db2.gz YHUDINJVWNLIDE-UHFFFAOYSA-N 0 3 451.586 4.584 50 0 JJAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCCN5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454661 569697550 /nfs/dbraw/zinc/69/75/50/569697550.db2.gz DLVRCOUNRJTQMB-UHFFFAOYSA-N 0 3 488.632 4.648 50 0 JJAAHN O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871982 569719057 /nfs/dbraw/zinc/71/90/57/569719057.db2.gz NLHFZAPXSSZYHM-ISKFKSNPSA-N 0 3 475.530 4.766 50 0 JJAAHN C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C ZINC000098023177 569749853 /nfs/dbraw/zinc/74/98/53/569749853.db2.gz DUYJMQONPNNFPI-UHFFFAOYSA-N 0 3 499.619 4.510 50 0 fda JJAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(F)cc1 ZINC000036312648 569760299 /nfs/dbraw/zinc/76/02/99/569760299.db2.gz XVHMGXHHRGGTTK-UHFFFAOYSA-N 0 3 450.558 4.675 50 0 JJAAHN COc1ccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1 ZINC000036312658 569760322 /nfs/dbraw/zinc/76/03/22/569760322.db2.gz IFBQEDUMWXJDRO-UHFFFAOYSA-N 0 3 462.594 4.545 50 0 JJAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H](O)COCc1ccco1 ZINC000036313069 569760584 /nfs/dbraw/zinc/76/05/84/569760584.db2.gz GXZSUAVRULGIQX-UPVQGACJSA-N 0 3 497.636 4.730 50 0 JJAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036313015 569760591 /nfs/dbraw/zinc/76/05/91/569760591.db2.gz VYUROFDKFFRJRB-AREMUKBSSA-N 0 3 493.648 4.748 50 0 JJAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H](O)COCc1ccco1 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FRXKTFLXEFCHHX-KKUQBAQOSA-N 0 3 488.540 4.631 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102759151 569821473 /nfs/dbraw/zinc/82/14/73/569821473.db2.gz ROGZTUDBUVLFII-UBFVSLLYSA-N 0 3 476.504 4.674 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCC)cc4)[C@@H]3C2=O)cc1 ZINC000102760860 569822048 /nfs/dbraw/zinc/82/20/48/569822048.db2.gz RSUPTSRMDPGAAO-KKUQBAQOSA-N 0 3 472.541 4.925 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000102761371 569822125 /nfs/dbraw/zinc/82/21/25/569822125.db2.gz BGTOLEVKKWBDTR-YPAWHYETSA-N 0 3 468.431 4.945 50 0 JJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(SC)cc3)[C@H]2C1=O ZINC000102762403 569822495 /nfs/dbraw/zinc/82/24/95/569822495.db2.gz MCDHGROHRRBXPD-WXFUMESZSA-N 0 3 460.555 4.858 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102764166 569822674 /nfs/dbraw/zinc/82/26/74/569822674.db2.gz BVVWUAPNOGNLQI-DNVJHFABSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc(Br)c2)[C@H]3c2ccc(C)cc2)c1 ZINC000103194821 569833773 /nfs/dbraw/zinc/83/37/73/569833773.db2.gz VSXXGGUJNSHFKH-RJGXRXQPSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1cccc(N2C(=O)C3ON(c4cccc(Br)c4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000103194821 569833774 /nfs/dbraw/zinc/83/37/74/569833774.db2.gz VSXXGGUJNSHFKH-RJGXRXQPSA-N 0 3 493.357 4.817 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000105002849 569849230 /nfs/dbraw/zinc/84/92/30/569849230.db2.gz LWOWHYDKQFPAKV-SHQCIBLASA-N 0 3 492.685 4.877 50 0 JJAAHN CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000136256408 569864644 /nfs/dbraw/zinc/86/46/44/569864644.db2.gz NCVJUURNGMHNGL-KMDXXIMOSA-N 0 3 460.555 4.858 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000136256408 569864645 /nfs/dbraw/zinc/86/46/45/569864645.db2.gz NCVJUURNGMHNGL-KMDXXIMOSA-N 0 3 460.555 4.858 50 0 JJAAHN O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169677747 569868920 /nfs/dbraw/zinc/86/89/20/569868920.db2.gz NLHFZAPXSSZYHM-UPVQGACJSA-N 0 3 475.530 4.766 50 0 JJAAHN COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(C4CCCC4)C[C@@H]23)c1 ZINC000169677750 569868954 /nfs/dbraw/zinc/86/89/54/569868954.db2.gz YPEURFYYLXTQCU-VWNXMTODSA-N 0 3 473.539 4.958 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)C[C@@H](O)COC(C)C ZINC000169680108 569870245 /nfs/dbraw/zinc/87/02/45/569870245.db2.gz XYAKCLOLUWCLFI-XMMPIXPASA-N 0 3 451.611 4.976 50 0 JJAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000229890377 570041792 /nfs/dbraw/zinc/04/17/92/570041792.db2.gz HTJTWHGBPTWKES-PWRODBHTSA-N 0 3 456.395 4.896 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229890377 570041793 /nfs/dbraw/zinc/04/17/93/570041793.db2.gz HTJTWHGBPTWKES-PWRODBHTSA-N 0 3 456.395 4.896 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000229967569 570042874 /nfs/dbraw/zinc/04/28/74/570042874.db2.gz FWQFECJWKWTCSZ-BHDDXSALSA-N 0 3 476.554 4.511 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@@H]3C2=O)cc1 ZINC000229972657 570043035 /nfs/dbraw/zinc/04/30/35/570043035.db2.gz WYVWBPPALSLZKV-BHDDXSALSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 ZINC000230055400 570044127 /nfs/dbraw/zinc/04/41/27/570044127.db2.gz GTHLNEAZSXTCLN-BHDDXSALSA-N 0 3 452.869 4.539 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3ccccc3)[C@H]2C1=O ZINC000238923922 570047961 /nfs/dbraw/zinc/04/79/61/570047961.db2.gz QKGHOTIOQYKHCM-DNVJHFABSA-N 0 3 490.581 4.901 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239274843 570049920 /nfs/dbraw/zinc/04/99/20/570049920.db2.gz ASXVFWBECPQAOH-BDTNDASRSA-N 0 3 452.869 4.539 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239331288 570050876 /nfs/dbraw/zinc/05/08/76/570050876.db2.gz KKTSAQMJSJALQX-CYXNTTPDSA-N 0 3 450.494 4.900 50 0 JJAAHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C)CC1 ZINC000240122399 570052975 /nfs/dbraw/zinc/05/29/75/570052975.db2.gz VYJZTUUHWKPPHK-IBGZPJMESA-N 0 3 460.544 4.533 50 0 JJAAHN Cc1cc(=O)c(C(=O)N2CC[C@H](N(C)C)C2)c2n1-c1ccccc1S[C@@H](c1ccc(F)c(F)c1)C2 ZINC000299782055 570176434 /nfs/dbraw/zinc/17/64/34/570176434.db2.gz XXMSNVHGOYAGTN-AVRWGWEMSA-N 0 3 495.595 4.590 50 0 JJAAHN C[C@@H](NC(=O)c1ccc(N2CCC(NCc3cn4ccccc4n3)CC2)cc1)c1ccccc1 ZINC000299788715 570176799 /nfs/dbraw/zinc/17/67/99/570176799.db2.gz ZRCRYKVMSTUPLA-OAQYLSRUSA-N 0 3 453.590 4.584 50 0 JJAAHN CCOc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)cc1 ZINC000299791116 570176948 /nfs/dbraw/zinc/17/69/48/570176948.db2.gz CIYDLMFIPJWASX-UHFFFAOYSA-N 0 3 480.630 4.504 50 0 JJAAHN CC(C)CCN[C@H]1c2ccccc2C(=O)N1CCN1C(=O)c2ccccc2[C@H]1NCCC(C)C ZINC000334163404 570185102 /nfs/dbraw/zinc/18/51/02/570185102.db2.gz QXMSITAMKTZLJV-WMPKNSHKSA-N 0 3 462.638 4.567 50 0 JJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000001322164 194085099 /nfs/dbraw/zinc/08/50/99/194085099.db2.gz YUPHNNPKMUNCNB-HHHXNRCGSA-N 0 3 471.557 4.958 50 0 biogenic JJAAHN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000003655759 194352993 /nfs/dbraw/zinc/35/29/93/194352993.db2.gz GTAKBIVTYSIDQC-SFHVURJKSA-N 0 3 482.464 4.763 50 0 JJAAHN Cc1oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000008992179 194497940 /nfs/dbraw/zinc/49/79/40/194497940.db2.gz VOYXIBYNPQMNJX-UHFFFAOYSA-N 0 3 482.580 4.928 50 0 biogenic JJAAHN CC[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289265 194665180 /nfs/dbraw/zinc/66/51/80/194665180.db2.gz RTDYDHQIQUWHHU-QFIPXVFZSA-N 0 3 474.630 4.652 50 0 JJAAHN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3CCN(C4CCCCC4)CC3)c12 ZINC000009610395 194813840 /nfs/dbraw/zinc/81/38/40/194813840.db2.gz YLVYMCLHBNTYPV-UHFFFAOYSA-N 0 3 452.002 4.781 50 0 JJAAHN Cc1cc(NC(=O)CN[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012797798 195137211 /nfs/dbraw/zinc/13/72/11/195137211.db2.gz ODLXTEFVUCMDTB-ZEQKJWHPSA-N 0 3 486.682 4.524 50 0 JJAAHN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)c2)cc1 ZINC000012803192 195140474 /nfs/dbraw/zinc/14/04/74/195140474.db2.gz RTDDWSOWWIVRAO-QHCPKHFHSA-N 0 3 483.659 4.733 50 0 JJAAHN C[C@H]1CCCCN1CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903417 195243292 /nfs/dbraw/zinc/24/32/92/195243292.db2.gz CZLFGPGOHKLNOZ-ZTOMLWHTSA-N 0 3 478.681 4.959 50 0 JJAAHN Cc1ccc(CN2CC[C@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)C2)cc1 ZINC000020978082 195258547 /nfs/dbraw/zinc/25/85/47/195258547.db2.gz VVMWVYCADZBQDZ-MRXNPFEDSA-N 0 3 485.553 4.531 50 0 JJAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccn4)CC3)cc3ccccc32)cc1 ZINC000021116181 195278436 /nfs/dbraw/zinc/27/84/36/195278436.db2.gz CIISXLLUQXAPMV-UHFFFAOYSA-N 0 3 452.602 4.921 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526008 195304770 /nfs/dbraw/zinc/30/47/70/195304770.db2.gz ZXQHCCHVALDCJX-SANMLTNESA-N 0 3 472.699 4.878 50 0 JJAAHN Cc1c(NC(=O)[C@@H](C)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611533 195353652 /nfs/dbraw/zinc/35/36/52/195353652.db2.gz ALAJCMSTJNXVPA-CJFMBICVSA-N 0 3 462.638 4.997 50 0 JJAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160793 195368897 /nfs/dbraw/zinc/36/88/97/195368897.db2.gz UTUGWPSKTQMAEX-PMACEKPBSA-N 0 3 465.619 4.590 50 0 JJAAHN C[C@@H](C(=O)NCCN1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290448 130039826 /nfs/dbraw/zinc/03/98/26/130039826.db2.gz UOXUYEXXSQJXRF-HNNXBMFYSA-N 0 3 463.384 4.846 50 0 JJAAHN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCC2CCN(Cc3ccccc3F)CC2)o1 ZINC000096324158 130068391 /nfs/dbraw/zinc/06/83/91/130068391.db2.gz BFYIIZLQUCXGKU-UHFFFAOYSA-N 0 3 462.525 4.881 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000102862186 130333952 /nfs/dbraw/zinc/33/39/52/130333952.db2.gz QRLPNUQHXAAXTP-QHAWAJNXSA-N 0 3 496.972 4.856 50 0 JJAAHN CC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000016741993 518497180 /nfs/dbraw/zinc/49/71/80/518497180.db2.gz LMUHGMZXYMECOQ-SFHVURJKSA-N 0 3 452.438 4.789 50 0 JJAAHN CC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000016741994 518497553 /nfs/dbraw/zinc/49/75/53/518497553.db2.gz LMUHGMZXYMECOQ-GOSISDBHSA-N 0 3 452.438 4.789 50 0 JJAAHN CC(=O)N1CCC(N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCCN(C)C3)C2)CC1 ZINC000014979161 519511880 /nfs/dbraw/zinc/51/18/80/519511880.db2.gz UZGOQBMBRVAMIJ-JOCHJYFZSA-N 0 3 497.705 4.649 50 0 JJAAHN CC(=O)N1CCC(N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCCN(C)C3)C2)CC1 ZINC000014979164 519512052 /nfs/dbraw/zinc/51/20/52/519512052.db2.gz UZGOQBMBRVAMIJ-QFIPXVFZSA-N 0 3 497.705 4.649 50 0 JJAAHN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)[C@@H](C)C(C)(C)O ZINC000036310216 520317776 /nfs/dbraw/zinc/31/77/76/520317776.db2.gz DPLQSDFGFXYKHN-WMZHIEFXSA-N 0 3 458.668 4.858 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)CC ZINC000036309237 521535301 /nfs/dbraw/zinc/53/53/01/521535301.db2.gz FHYRAIYUBUFYMA-QPPBQGQZSA-N 0 3 458.668 4.859 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036305875 521678754 /nfs/dbraw/zinc/67/87/54/521678754.db2.gz QRBZJDYISNHMDO-JOCHJYFZSA-N 0 3 467.610 4.886 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccco1 ZINC000036249852 521679503 /nfs/dbraw/zinc/67/95/03/521679503.db2.gz IMBVSDPZULPMAG-QFIPXVFZSA-N 0 3 453.583 4.715 50 0 JJAAHN COCCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993397 522065460 /nfs/dbraw/zinc/06/54/60/522065460.db2.gz CJUUSCZZOBUTPL-NDEPHWFRSA-N 0 3 476.617 4.561 50 0 JJAAHN CC[C@@H](C)N(CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000020509006 522089510 /nfs/dbraw/zinc/08/95/10/522089510.db2.gz FJESBMXAQHQHLY-HXUWFJFHSA-N 0 3 473.573 4.623 50 0 JJAAHN COC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000016741743 522423494 /nfs/dbraw/zinc/42/34/94/522423494.db2.gz QKMTZGKZLVNVJQ-SFHVURJKSA-N 0 3 464.474 4.542 50 0 JJAAHN CN(CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)Cc1ccccc1 ZINC000021864149 522745975 /nfs/dbraw/zinc/74/59/75/522745975.db2.gz KPMIROWAHZZCQL-GDLZYMKVSA-N 0 3 488.632 4.544 50 0 JJAAHN CN(CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)Cc1ccccc1 ZINC000033035789 522861728 /nfs/dbraw/zinc/86/17/28/522861728.db2.gz GDVDOZCETXTVQG-AREMUKBSSA-N 0 3 470.617 4.960 50 0 JJAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CNCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014993463 523230290 /nfs/dbraw/zinc/23/02/90/523230290.db2.gz NJDADMDVHVBCQI-UHFFFAOYSA-N 0 3 479.627 4.570 50 0 JJAAHN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)C2)s1 ZINC000033078458 523850418 /nfs/dbraw/zinc/85/04/18/523850418.db2.gz YKYXMOHPTZTCKW-NRFANRHFSA-N 0 3 495.668 4.638 50 0 JJAAHN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4cn(C)c5ccccc45)CC3)C2=O)cc1 ZINC000014745348 524019271 /nfs/dbraw/zinc/01/92/71/524019271.db2.gz MFSTWMJQYBYDCP-UHFFFAOYSA-N 0 3 488.632 4.642 50 0 JJAAHN COc1ccc(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc1OC ZINC000014886691 524025645 /nfs/dbraw/zinc/02/56/45/524025645.db2.gz OLQRBYSUFSETIV-DEOSSOPVSA-N 0 3 462.634 4.934 50 0 JJAAHN C[C@@H](C(=O)NCCN1CCCCC1)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116013 524186809 /nfs/dbraw/zinc/18/68/09/524186809.db2.gz CVQGQQLASCLXMQ-OAQYLSRUSA-N 0 3 488.632 4.585 50 0 JJAAHN COc1ccccc1[C@@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000014986413 524760872 /nfs/dbraw/zinc/76/08/72/524760872.db2.gz ZEKPZIAILKQIHH-MHZLTWQESA-N 0 3 455.558 4.629 50 0 JJAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000014997071 525748124 /nfs/dbraw/zinc/74/81/24/525748124.db2.gz DZNXLOKLUALMKE-DEOSSOPVSA-N 0 3 480.634 4.632 50 0 JJAAHN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN(C)C)C(=O)CC(C)C)cc1C ZINC000036049462 525904729 /nfs/dbraw/zinc/90/47/29/525904729.db2.gz TWYRFBDTHIEDGF-UHFFFAOYSA-N 0 3 475.637 4.531 50 0 JJAAHN Cc1ccc(-n2cc(CNCCc3nc(-c4cccnc4)no3)c(-c3cccc(C)c3)n2)cc1 ZINC000014953957 525907563 /nfs/dbraw/zinc/90/75/63/525907563.db2.gz LXACQPOLWWPRBY-UHFFFAOYSA-N 0 3 450.546 4.933 50 0 JJAAHN Cc1cnc(-n2ncc(C(=O)N(C)C3CCN(C)CC3)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000012329670 525965404 /nfs/dbraw/zinc/96/54/04/525965404.db2.gz LNPIETHNJJRHCO-UHFFFAOYSA-N 0 3 490.608 4.672 50 0 JJAAHN Cc1cc(=O)c(C(=O)NC[C@@H]2CCCN(C)C2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000014994379 526128191 /nfs/dbraw/zinc/12/81/91/526128191.db2.gz LSNPKBWELAYNGL-UUOWRZLLSA-N 0 3 479.671 4.669 50 0 JJAAHN Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CCN(Cc3ccc(C)s3)CC2)n(C)n1 ZINC000014989283 526225507 /nfs/dbraw/zinc/22/55/07/526225507.db2.gz FCSLSDRIFSUCFB-DEOSSOPVSA-N 0 3 450.652 4.694 50 0 JJAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115985 526249341 /nfs/dbraw/zinc/24/93/41/526249341.db2.gz UFUFTQYDBKMXNG-NRFANRHFSA-N 0 3 488.632 4.728 50 0 JJAAHN O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(Cc1cccn1-c1ccc(Cl)cn1)CC2 ZINC000014884794 526277522 /nfs/dbraw/zinc/27/75/22/526277522.db2.gz CEODQHMJRXCGCA-DEOSSOPVSA-N 0 3 463.025 4.877 50 0 JJAAHN O=C(NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000014882468 526587605 /nfs/dbraw/zinc/58/76/05/526587605.db2.gz VMEJGNGJYWFJFP-AREMUKBSSA-N 0 3 459.565 4.831 50 0 JJAAHN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000016475432 527411073 /nfs/dbraw/zinc/41/10/73/527411073.db2.gz LUUXMIADBJZJAV-UHFFFAOYSA-N 0 3 476.580 4.822 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170752 527530330 /nfs/dbraw/zinc/53/03/30/527530330.db2.gz ZRYZHEXERZWOHT-UHFFFAOYSA-N 0 3 471.605 4.654 50 0 JJAAHN COc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(OC)c(OCC(C)C)c3)C2)cc1OC ZINC000006134872 554506785 /nfs/dbraw/zinc/50/67/85/554506785.db2.gz ITCQFZZVZPVGGY-HXUWFJFHSA-N 0 3 456.583 4.598 50 0 JJAAHN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000006577857 554553604 /nfs/dbraw/zinc/55/36/04/554553604.db2.gz KJLIIGFWXGJRGV-UHFFFAOYSA-N 0 3 486.660 4.951 50 0 JJAAHN COc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OC)cc2)CN(C)C)cc1 ZINC000006878682 554560167 /nfs/dbraw/zinc/56/01/67/554560167.db2.gz IYHZRMBBRCHWHH-ZEQRLZLVSA-N 0 3 468.638 4.685 50 0 JJAAHN Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1ccncc1 ZINC000008400793 554576195 /nfs/dbraw/zinc/57/61/95/554576195.db2.gz DIBZKNPSQYMMGJ-FYJGNVAPSA-N 0 3 460.559 4.781 50 0 JJAAHN O=C(CN(C(=O)Cc1ccccc1)C1CCN(Cc2ccccc2)CC1)Nc1ccc2[nH]ccc2c1 ZINC000008755828 554658010 /nfs/dbraw/zinc/65/80/10/554658010.db2.gz QLKZIJSOPFDDJQ-UHFFFAOYSA-N 0 3 480.612 4.842 50 0 JJAAHN CCOc1ccc(C(=O)[C@@H](CC[C@@H](CN(C)C)C(=O)c2ccc(OCC)cc2)CN(C)C)cc1 ZINC000008757106 554659503 /nfs/dbraw/zinc/65/95/03/554659503.db2.gz GLPYUDVIUIXMCD-ZEQRLZLVSA-N 0 3 468.638 4.685 50 0 JJAAHN CCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000008915737 554809590 /nfs/dbraw/zinc/80/95/90/554809590.db2.gz WRJYMSQBKFVYKM-QHCPKHFHSA-N 0 3 452.526 4.608 50 0 JJAAHN COc1ccc(-c2coc3cc(OCC(=O)NC4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000008991099 554852503 /nfs/dbraw/zinc/85/25/03/554852503.db2.gz STUWDZMZFDFVCE-UHFFFAOYSA-N 0 3 498.579 4.628 50 0 biogenic JJAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009013764 554865242 /nfs/dbraw/zinc/86/52/42/554865242.db2.gz GTXSJEFBMPBIQJ-KALPRAJFSA-N 0 3 468.940 4.902 50 0 JJAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009075845 554886907 /nfs/dbraw/zinc/88/69/07/554886907.db2.gz UWMGSEYYKKERCG-UBRKHCEVSA-N 0 3 477.564 4.670 50 0 JJAAHN 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COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000013752273 555610211 /nfs/dbraw/zinc/61/02/11/555610211.db2.gz FXRVZIUSXVMWPB-BDTNDASRSA-N 0 3 485.323 4.759 50 0 JJAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000013769645 555614031 /nfs/dbraw/zinc/61/40/31/555614031.db2.gz ZBBNWERRMZMRTL-VSKRKVRLSA-N 0 3 463.331 4.809 50 0 JJAAHN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCc2ccccc2CN(C)C)cc1OC ZINC000010086137 555617113 /nfs/dbraw/zinc/61/71/13/555617113.db2.gz OQHLCHOXHHAAJC-UHFFFAOYSA-N 0 3 470.573 4.548 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013804529 555622477 /nfs/dbraw/zinc/62/24/77/555622477.db2.gz HRROAIDPKJDDAX-QHAWAJNXSA-N 0 3 472.394 4.775 50 0 JJAAHN CCN1CCN(CCCN(Cc2cccs2)C(=S)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000020107893 555642138 /nfs/dbraw/zinc/64/21/38/555642138.db2.gz SBCHZGSEWZBTSD-UHFFFAOYSA-N 0 3 481.131 4.945 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116159 555653663 /nfs/dbraw/zinc/65/36/63/555653663.db2.gz QWAOVVDXYJPXGJ-RSHLGWRZSA-N 0 3 465.682 4.509 50 0 JJAAHN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCN(C)Cc3ccccc3)C2=O)cc1 ZINC000020181659 555689166 /nfs/dbraw/zinc/68/91/66/555689166.db2.gz BDRXSWSMMUCEQE-ZXVVBBHZSA-N 0 3 485.653 4.977 50 0 JJAAHN Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCCN3CCc4ccccc4C3)cc12 ZINC000020183153 555689956 /nfs/dbraw/zinc/68/99/56/555689956.db2.gz HQVCAJLJXVFYHX-UHFFFAOYSA-N 0 3 459.663 4.878 50 0 JJAAHN COc1ccc([C@@H](CN[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116563 555692211 /nfs/dbraw/zinc/69/22/11/555692211.db2.gz ZXNLYNQKRJINMN-HTAPYJJXSA-N 0 3 457.530 4.654 50 0 JJAAHN COc1ccc(CN2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c2ccccc12 ZINC000011784948 555816914 /nfs/dbraw/zinc/81/69/14/555816914.db2.gz NHFZSCFXMPQIPJ-CYFREDJKSA-N 0 3 474.630 4.985 50 0 JJAAHN Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011786610 555820316 /nfs/dbraw/zinc/82/03/16/555820316.db2.gz PWLIWYBIUAJLRL-HSZRJFAPSA-N 0 3 494.643 4.904 50 0 JJAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)cc1 ZINC000014533028 555821017 /nfs/dbraw/zinc/82/10/17/555821017.db2.gz JCPSAEARLKNYSH-UHFFFAOYSA-N 0 3 498.627 4.522 50 0 JJAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@@H](C)CC(F)(F)F)CC2 ZINC000014538889 555828664 /nfs/dbraw/zinc/82/86/64/555828664.db2.gz RZMTYEKURFBUQW-IBGZPJMESA-N 0 3 491.554 4.816 50 0 JJAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(SC)cc2)CC1)c1ccccc1 ZINC000011816558 555831120 /nfs/dbraw/zinc/83/11/20/555831120.db2.gz GGPWCWLEDYCUKU-XMMPIXPASA-N 0 3 450.608 4.768 50 0 JJAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014541030 555831524 /nfs/dbraw/zinc/83/15/24/555831524.db2.gz QCQLJDJIDIHHCP-UHFFFAOYSA-N 0 3 493.007 4.856 50 0 JJAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)CC1 ZINC000020597583 555839285 /nfs/dbraw/zinc/83/92/85/555839285.db2.gz QJJYESUNFMQQHR-UHFFFAOYSA-N 0 3 467.057 4.717 50 0 JJAAHN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCN1CCCC[C@H]1C)C3=O ZINC000020903221 555848786 /nfs/dbraw/zinc/84/87/86/555848786.db2.gz DFZWUBQPEXQPLL-ONOMSOESSA-N 0 3 494.680 4.578 50 0 JJAAHN COc1cccc(-n2c(SCCN3CCCC3)nnc2C2CCN(Cc3ccccc3F)CC2)c1 ZINC000015006251 555850902 /nfs/dbraw/zinc/85/09/02/555850902.db2.gz JZNIFABMTDXFLU-UHFFFAOYSA-N 0 3 495.668 4.983 50 0 JJAAHN O=S(=O)(c1cccc(Cl)c1)N(Cc1ccc(OCCN2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000011963832 555870560 /nfs/dbraw/zinc/87/05/60/555870560.db2.gz VCSCZIINDUPZEC-XMMPIXPASA-N 0 3 493.069 4.575 50 0 JJAAHN O=S(=O)(c1cccc(Cl)c1)N(Cc1ccc(OCCN2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000011963829 555870673 /nfs/dbraw/zinc/87/06/73/555870673.db2.gz VCSCZIINDUPZEC-DEOSSOPVSA-N 0 3 493.069 4.575 50 0 JJAAHN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000011983021 555877290 /nfs/dbraw/zinc/87/72/90/555877290.db2.gz SYROCASWWADRBJ-HHHXNRCGSA-N 0 3 455.602 4.637 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012132917 555912388 /nfs/dbraw/zinc/91/23/88/555912388.db2.gz IQTLCGPRCPCRSY-UHFFFAOYSA-N 0 3 496.590 4.740 50 0 JJAAHN CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000012183818 555936064 /nfs/dbraw/zinc/93/60/64/555936064.db2.gz CQTYAUSVVRRYIN-FTJBHMTQSA-N 0 3 452.643 4.601 50 0 JJAAHN COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3ccc(-c4ccco4)cc3)C2)cc1 ZINC000012190425 555937506 /nfs/dbraw/zinc/93/75/06/555937506.db2.gz ZEWDRQRZTJNTMT-RPBOFIJWSA-N 0 3 458.558 4.860 50 0 JJAAHN Cc1ccc([C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721590 555955846 /nfs/dbraw/zinc/95/58/46/555955846.db2.gz PPTFXCHMPFBNRH-NDEPHWFRSA-N 0 3 467.613 4.863 50 0 JJAAHN COc1ccc(-c2nc3ccccc3c(NCCCN3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000022937862 555991010 /nfs/dbraw/zinc/99/10/10/555991010.db2.gz 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COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000017992586 556274801 /nfs/dbraw/zinc/27/48/01/556274801.db2.gz WBODFGCOJUDTNL-SMIHKQSGSA-N 0 3 478.932 4.717 50 0 JJAAHN CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000018009761 556276055 /nfs/dbraw/zinc/27/60/55/556276055.db2.gz YQRGJUQFSZDSIT-VJGNERBWSA-N 0 3 477.520 4.849 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1 ZINC000018030049 556277979 /nfs/dbraw/zinc/27/79/79/556277979.db2.gz ODNYNGYVSPLJMG-NXCFDTQHSA-N 0 3 450.494 4.900 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000018114884 556289534 /nfs/dbraw/zinc/28/95/34/556289534.db2.gz RMYQZKPQVRPYLQ-VXNXHJTFSA-N 0 3 478.932 4.717 50 0 JJAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3ccc(C)cc3)n3c4ccccc4nc32)cc1 ZINC000030937545 556388523 /nfs/dbraw/zinc/38/85/23/556388523.db2.gz VNDLVAOSHMTDEP-XMMPIXPASA-N 0 3 454.530 4.513 50 0 JJAAHN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000032622627 556452354 /nfs/dbraw/zinc/45/23/54/556452354.db2.gz PVWNWEIONOVZSB-VWLOTQADSA-N 0 3 478.589 4.723 50 0 JJAAHN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000032622629 556452383 /nfs/dbraw/zinc/45/23/83/556452383.db2.gz PVWNWEIONOVZSB-RUZDIDTESA-N 0 3 478.589 4.723 50 0 JJAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1C ZINC000032810894 556501873 /nfs/dbraw/zinc/50/18/73/556501873.db2.gz HCOYULUEMWDJMC-OAQYLSRUSA-N 0 3 458.606 4.840 50 0 JJAAHN CC(=O)Nc1nc2ccc(CCC(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)cc2s1 ZINC000032959375 556576027 /nfs/dbraw/zinc/57/60/27/556576027.db2.gz CPBHEPJGJCQBCC-UHFFFAOYSA-N 0 3 464.635 4.524 50 0 JJAAHN C[C@@H]1C[C@@H](OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431534 569589448 /nfs/dbraw/zinc/58/94/48/569589448.db2.gz QNYKNOXEGLLUAM-AGILITTLSA-N 0 3 492.660 4.740 50 0 JJAAHN C[C@@H]1C[C@H](OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431530 569589463 /nfs/dbraw/zinc/58/94/63/569589463.db2.gz QNYKNOXEGLLUAM-HUVFLSCGSA-N 0 3 492.660 4.740 50 0 JJAAHN CCN1CCN(c2ccc(N[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3)cc2)CC1 ZINC000008708380 569595069 /nfs/dbraw/zinc/59/50/69/569595069.db2.gz QVBGTIHEFYRXCA-HHHXNRCGSA-N 0 3 458.606 4.937 50 0 JJAAHN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057292038 569595796 /nfs/dbraw/zinc/59/57/96/569595796.db2.gz PFCKMWARMSRUOV-UHFFFAOYSA-N 0 3 488.657 4.923 50 0 JJAAHN O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057311684 569596332 /nfs/dbraw/zinc/59/63/32/569596332.db2.gz CRBJWUQMOCLFMN-UHFFFAOYSA-N 0 3 495.048 4.554 50 0 JJAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1nc2ccccc2s1 ZINC000057315390 569596943 /nfs/dbraw/zinc/59/69/43/569596943.db2.gz KMTPQPAHJOZRBV-UHFFFAOYSA-N 0 3 485.657 4.689 50 0 JJAAHN CCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057336105 569599022 /nfs/dbraw/zinc/59/90/22/569599022.db2.gz HOAJUIHVXULGCD-UHFFFAOYSA-N 0 3 453.590 4.560 50 0 JJAAHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008724021 569599568 /nfs/dbraw/zinc/59/95/68/569599568.db2.gz VHXLZYAHIQYLCX-UHFFFAOYSA-N 0 3 460.544 4.619 50 0 JJAAHN O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)N1CCN(C2CCCCC2)CC1 ZINC000032983841 569607162 /nfs/dbraw/zinc/60/71/62/569607162.db2.gz HFOMZOWMWQRVPB-ULJHMMPZSA-N 0 3 465.981 4.803 50 0 JJAAHN O=C(c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2)N1CCN(C2CCCCC2)CC1 ZINC000032983947 569607169 /nfs/dbraw/zinc/60/71/69/569607169.db2.gz RHRURUNBKJQFIR-LFVJCYFKSA-N 0 3 465.981 4.803 50 0 JJAAHN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000032986028 569608691 /nfs/dbraw/zinc/60/86/91/569608691.db2.gz YMWZZMWTOISYCF-UHFFFAOYSA-N 0 3 492.693 4.550 50 0 JJAAHN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2cc1C ZINC000033006029 569614626 /nfs/dbraw/zinc/61/46/26/569614626.db2.gz OZIUJMDEJFULGH-UHFFFAOYSA-N 0 3 494.639 4.764 50 0 JJAAHN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000033037059 569621502 /nfs/dbraw/zinc/62/15/02/569621502.db2.gz PFNDPHSVRNULER-UHFFFAOYSA-N 0 3 485.632 4.897 50 0 JJAAHN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN1CCN(C2CCCCC2)CC1 ZINC000064820248 569636225 /nfs/dbraw/zinc/63/62/25/569636225.db2.gz QPJKBJBBIJKXTG-UHFFFAOYSA-N 0 3 495.487 4.544 50 0 JJAAHN COc1ccccc1CN(C(=O)c1ccc(C)cc1)c1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000034679737 569642748 /nfs/dbraw/zinc/64/27/48/569642748.db2.gz SGRRDWTYCXADIN-UHFFFAOYSA-N 0 3 499.655 4.995 50 0 JJAAHN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCCN3CCCC3)cc2)cc1 ZINC000034679768 569642760 /nfs/dbraw/zinc/64/27/60/569642760.db2.gz ZYDMQYSAXKWJPD-UHFFFAOYSA-N 0 3 455.602 4.597 50 0 JJAAHN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034680026 569642915 /nfs/dbraw/zinc/64/29/15/569642915.db2.gz KSTAHOSTZFTXNJ-UHFFFAOYSA-N 0 3 473.592 4.736 50 0 JJAAHN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034679891 569642917 /nfs/dbraw/zinc/64/29/17/569642917.db2.gz NPHXSOBGJPGARD-UHFFFAOYSA-N 0 3 455.602 4.597 50 0 JJAAHN Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)NCCN3CCCC3)cc2)c1 ZINC000034680122 569642995 /nfs/dbraw/zinc/64/29/95/569642995.db2.gz OQXYIXWLSWWCNT-SAPNQHFASA-N 0 3 481.640 4.996 50 0 JJAAHN O=C(c1cccc(F)c1)N1C[C@@H](c2cccc(F)c2)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034698333 569647622 /nfs/dbraw/zinc/64/76/22/569647622.db2.gz JYKCHTNRKOSKJQ-CUNXSJBXSA-N 0 3 479.546 4.782 50 0 JJAAHN O=C(c1cccc(F)c1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698335 569647681 /nfs/dbraw/zinc/64/76/81/569647681.db2.gz JYKCHTNRKOSKJQ-AMGIVPHBSA-N 0 3 479.546 4.782 50 0 JJAAHN COc1ccccc1[C@H]1CN(Cc2cccn2C)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699230 569648482 /nfs/dbraw/zinc/64/84/82/569648482.db2.gz WSLXXLUDWZREKZ-IGKIAQTJSA-N 0 3 459.634 4.934 50 0 JJAAHN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccc(OC)cc1)C(C)C ZINC000034836803 569665862 /nfs/dbraw/zinc/66/58/62/569665862.db2.gz YJSDONAYEZOSTQ-UHFFFAOYSA-N 0 3 475.681 4.996 50 0 JJAAHN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(CN5CCCCC5)cc4)CC3)n2)cc1 ZINC000035447313 569696084 /nfs/dbraw/zinc/69/60/84/569696084.db2.gz JFCRXZQMXFXWSN-UHFFFAOYSA-N 0 3 475.593 4.586 50 0 JJAAHN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCCN1CCc2ccccc2C1 ZINC000035528879 569699971 /nfs/dbraw/zinc/69/99/71/569699971.db2.gz ICNRLDHXDJJHBL-UHFFFAOYSA-N 0 3 469.029 4.539 50 0 JJAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](Cc3ccccc3)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035808740 569712118 /nfs/dbraw/zinc/71/21/18/569712118.db2.gz NRKJPEUBGHBDRE-FBIATWESSA-N 0 3 475.976 4.664 50 0 JJAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000085994243 569716857 /nfs/dbraw/zinc/71/68/57/569716857.db2.gz YWWIZTJUVAVILE-BDTNDASRSA-N 0 3 479.330 4.509 50 0 JJAAHN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000035908108 569723802 /nfs/dbraw/zinc/72/38/02/569723802.db2.gz VSMLTCWYMIJBLE-UKILVPOCSA-N 0 3 489.582 4.610 50 0 JJAAHN COc1cc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)ccc1OC1CCCC1 ZINC000095951827 569731494 /nfs/dbraw/zinc/73/14/94/569731494.db2.gz GBAHEMSNKMKAHU-JOCHJYFZSA-N 0 3 450.579 4.735 50 0 JJAAHN COc1ccc(OC[C@H](O)CN(Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036313044 569760609 /nfs/dbraw/zinc/76/06/09/569760609.db2.gz JMBHHZUIUSTAAJ-XMMPIXPASA-N 0 3 491.632 4.992 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1OC ZINC000101028385 569779988 /nfs/dbraw/zinc/77/99/88/569779988.db2.gz IJMYYCGLMIZEQX-WEWMWRJBSA-N 0 3 480.520 4.908 50 0 JJAAHN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2C)c1CCC(=O)NCCN1CCCC1 ZINC000037278575 569782394 /nfs/dbraw/zinc/78/23/94/569782394.db2.gz WSKUREJLUXJBEC-UHFFFAOYSA-N 0 3 476.621 4.689 50 0 JJAAHN COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2cccc(CC(=O)NCCN3CCCC3)c2)c1 ZINC000037280348 569782569 /nfs/dbraw/zinc/78/25/69/569782569.db2.gz IANXNRWCRNFFKX-UHFFFAOYSA-N 0 3 485.628 4.605 50 0 JJAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCCN1CCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357950 569783583 /nfs/dbraw/zinc/78/35/83/569783583.db2.gz YUSGZNXZPVGRHG-UHFFFAOYSA-N 0 3 468.392 4.879 50 0 JJAAHN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(CC(C)C)CC3)c12 ZINC000037380600 569784966 /nfs/dbraw/zinc/78/49/66/569784966.db2.gz ROESZUZGMRQPTK-UHFFFAOYSA-N 0 3 458.585 4.632 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000101199637 569786912 /nfs/dbraw/zinc/78/69/12/569786912.db2.gz VNERRIBWWMXGQO-VSKRKVRLSA-N 0 3 497.320 4.648 50 0 JJAAHN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NCCN1CCCC1 ZINC000037547093 569794477 /nfs/dbraw/zinc/79/44/77/569794477.db2.gz RCRRPYRILIXVSV-UHFFFAOYSA-N 0 3 450.558 4.565 50 0 JJAAHN O=c1c(CN2CCN(c3ccc(Cl)cc3)CC2)coc([O-])c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000101411224 569797245 /nfs/dbraw/zinc/79/72/45/569797245.db2.gz WWYWQFDJCNQDPM-UHFFFAOYSA-N 0 3 494.035 4.701 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102691845 569815887 /nfs/dbraw/zinc/81/58/87/569815887.db2.gz KKTSAQMJSJALQX-ZNZIZOMTSA-N 0 3 450.494 4.900 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000102698910 569816175 /nfs/dbraw/zinc/81/61/75/569816175.db2.gz DZYCNEOIDRKCLN-BHIFYINESA-N 0 3 463.331 4.809 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102706285 569816447 /nfs/dbraw/zinc/81/64/47/569816447.db2.gz RIXOAKFJWKYCBV-PWRODBHTSA-N 0 3 455.297 4.750 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706908 569816681 /nfs/dbraw/zinc/81/66/81/569816681.db2.gz BLTQNZDLBFLECQ-YPAWHYETSA-N 0 3 468.431 4.765 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)cc1 ZINC000102717288 569816994 /nfs/dbraw/zinc/81/69/94/569816994.db2.gz PWHWIYMQADEYQQ-RJGXRXQPSA-N 0 3 493.357 4.899 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1 ZINC000102721592 569817351 /nfs/dbraw/zinc/81/73/51/569817351.db2.gz ODNYNGYVSPLJMG-TWJOJJKGSA-N 0 3 450.494 4.900 50 0 JJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102726160 569817758 /nfs/dbraw/zinc/81/77/58/569817758.db2.gz FXRVZIUSXVMWPB-BHDDXSALSA-N 0 3 485.323 4.759 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OC)[C@H]3C2=O)cc1 ZINC000102729131 569817967 /nfs/dbraw/zinc/81/79/67/569817967.db2.gz QJBDARGNEBVBEL-DSNGMDLFSA-N 0 3 458.514 4.535 50 0 JJAAHN CCN1CCN(C[C@H](C)CNc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000040149296 569818802 /nfs/dbraw/zinc/81/88/02/569818802.db2.gz YCGPHLHGCGAHQN-MRXNPFEDSA-N 0 3 474.472 4.806 50 0 JJAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102751879 569820933 /nfs/dbraw/zinc/82/09/33/569820933.db2.gz CLFLKKAXZPKSEK-WXFUMESZSA-N 0 3 478.932 4.804 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102759890 569821768 /nfs/dbraw/zinc/82/17/68/569821768.db2.gz WUMVUHCFLQCRAE-YPAWHYETSA-N 0 3 497.320 4.648 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000102759774 569821784 /nfs/dbraw/zinc/82/17/84/569821784.db2.gz GKUKRAQJHRKUNW-PWRODBHTSA-N 0 3 472.394 4.775 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccccc1F ZINC000102760214 569821841 /nfs/dbraw/zinc/82/18/41/569821841.db2.gz IQVSGJGTBVUQAH-PWRODBHTSA-N 0 3 485.284 4.778 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCC)cc4)[C@H]3C2=O)cc1 ZINC000102760862 569821959 /nfs/dbraw/zinc/82/19/59/569821959.db2.gz RSUPTSRMDPGAAO-UODIDJSMSA-N 0 3 472.541 4.925 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)C2ON1c1ccccc1 ZINC000102761810 569822361 /nfs/dbraw/zinc/82/23/61/569822361.db2.gz ZYUISDLOMKBHPH-DNVJHFABSA-N 0 3 493.357 4.817 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102762515 569822529 /nfs/dbraw/zinc/82/25/29/569822529.db2.gz JBIMHYZVXXZPDS-PCCBWWKXSA-N 0 3 456.395 4.896 50 0 JJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 ZINC000102767733 569823200 /nfs/dbraw/zinc/82/32/00/569823200.db2.gz GTHLNEAZSXTCLN-FDFHNCONSA-N 0 3 452.869 4.539 50 0 JJAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000105003331 569849300 /nfs/dbraw/zinc/84/93/00/569849300.db2.gz CUNNTYHKLGTTOF-HARLFGEKSA-N 0 3 458.668 4.599 50 0 JJAAHN CCOc1ccc2cc(-c3cc(-c4cccc(C(=O)NCCN(C)C)c4)cnc3N)ccc2c1 ZINC000116839315 569862835 /nfs/dbraw/zinc/86/28/35/569862835.db2.gz XBDRAUPLGHAFCU-UHFFFAOYSA-N 0 3 454.574 4.841 50 0 in-vitro JJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000137515730 569864963 /nfs/dbraw/zinc/86/49/63/569864963.db2.gz GAZHQWQMDQVGHO-RBZQAINGSA-N 0 3 478.932 4.717 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000138931083 569866701 /nfs/dbraw/zinc/86/67/01/569866701.db2.gz MYICIAJQICEUGR-PCCBWWKXSA-N 0 3 456.395 4.896 50 0 JJAAHN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)CC ZINC000169679256 569869560 /nfs/dbraw/zinc/86/95/60/569869560.db2.gz FHYRAIYUBUFYMA-XUZZJYLKSA-N 0 3 458.668 4.859 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226890478 570039322 /nfs/dbraw/zinc/03/93/22/570039322.db2.gz ROGZTUDBUVLFII-ISJGIBHGSA-N 0 3 476.504 4.674 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226890478 570039324 /nfs/dbraw/zinc/03/93/24/570039324.db2.gz ROGZTUDBUVLFII-ISJGIBHGSA-N 0 3 476.504 4.674 50 0 JJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C1=O)CCCC2 ZINC000229968285 570042806 /nfs/dbraw/zinc/04/28/06/570042806.db2.gz ZLKSTWHCZXRWLO-PWRODBHTSA-N 0 3 494.594 4.526 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000229967466 570042844 /nfs/dbraw/zinc/04/28/44/570042844.db2.gz LWPNXNWVCGBEOG-BHDDXSALSA-N 0 3 476.554 4.593 50 0 JJAAHN CN(CCCN1C(=O)[C@H](Oc2ccc(F)cc2Cl)[C@H]1c1cscn1)Cc1ccccc1 ZINC000230077579 570044545 /nfs/dbraw/zinc/04/45/45/570044545.db2.gz GDVNHVCDJAZRPM-FGZHOGPDSA-N 0 3 459.974 4.789 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000238901389 570047708 /nfs/dbraw/zinc/04/77/08/570047708.db2.gz LWPNXNWVCGBEOG-YPAWHYETSA-N 0 3 476.554 4.593 50 0 JJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238923837 570047863 /nfs/dbraw/zinc/04/78/63/570047863.db2.gz PKKVEPJHYSGKOU-NJDAHSKKSA-N 0 3 482.945 4.629 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239274845 570049916 /nfs/dbraw/zinc/04/99/16/570049916.db2.gz ASXVFWBECPQAOH-VSKRKVRLSA-N 0 3 452.869 4.539 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000239432949 570052087 /nfs/dbraw/zinc/05/20/87/570052087.db2.gz WYVWBPPALSLZKV-YPAWHYETSA-N 0 3 479.330 4.509 50 0 JJAAHN C[C@@H]1CCCCN1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228506 570055554 /nfs/dbraw/zinc/05/55/54/570055554.db2.gz CZLFGPGOHKLNOZ-KPURRNSFSA-N 0 3 478.681 4.959 50 0 JJAAHN C[C@@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245257980 570060824 /nfs/dbraw/zinc/06/08/24/570060824.db2.gz JFHDDFHUZBUMGE-LYZGTLIUSA-N 0 3 480.653 4.676 50 0 JJAAHN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(OCC(=O)N[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000252512251 570082695 /nfs/dbraw/zinc/08/26/95/570082695.db2.gz OMEGVDDLGUAPTE-NIJXNBFTSA-N 0 3 498.067 4.728 50 0 JJAAHN O=C(NCc1nnc(SCCN2CCCC2)n1-c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000299786885 570176777 /nfs/dbraw/zinc/17/67/77/570176777.db2.gz RHFXFRLPWRYBJG-UHFFFAOYSA-N 0 3 481.588 4.671 50 0 JJAAHN COc1ccc2cc(CNC[C@@H]3COc4ccccc4O3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000299792078 570176943 /nfs/dbraw/zinc/17/69/43/570176943.db2.gz FGFLPLZMLSXQAG-JOCHJYFZSA-N 0 3 476.960 4.641 50 0 JJAAHN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)nc1C ZINC000002704148 194164491 /nfs/dbraw/zinc/16/44/91/194164491.db2.gz NBEQPTZJIRKPPX-MRXNPFEDSA-N 0 3 452.513 4.546 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1cccs1 ZINC000002967769 194185437 /nfs/dbraw/zinc/18/54/37/194185437.db2.gz DJFKRZPFGZXMDK-HXUWFJFHSA-N 0 3 495.029 5.000 50 0 JJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O ZINC000002968079 194186188 /nfs/dbraw/zinc/18/61/88/194186188.db2.gz BCYGTLAZTGJZOZ-LJQANCHMSA-N 0 3 454.983 4.538 50 0 JJAAHN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)cc1 ZINC000002973427 194189841 /nfs/dbraw/zinc/18/98/41/194189841.db2.gz DMQQZTYCDOVXKB-UHFFFAOYSA-N 0 3 464.635 4.566 50 0 JJAAHN Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCN(C)CCc3ccccc3)C2=O)cc1 ZINC000003046639 194216749 /nfs/dbraw/zinc/21/67/49/194216749.db2.gz OELOABOFIWHPHQ-OOAXWGSJSA-N 0 3 485.653 4.766 50 0 JJAAHN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c1)c1ccccc1O2 ZINC000009941801 195029664 /nfs/dbraw/zinc/02/96/64/195029664.db2.gz UOGITPDJQVPCIZ-PDDLMNHVSA-N 0 3 496.611 4.851 50 0 JJAAHN CC(C)[NH+](CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(C)C ZINC000012764929 195112988 /nfs/dbraw/zinc/11/29/88/195112988.db2.gz OYVKJBFDGNGWSE-KRWDZBQOSA-N 0 3 472.680 4.508 50 0 JJAAHN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](c3cccs3)N3CCCC3)c2)cc1 ZINC000012803179 195140534 /nfs/dbraw/zinc/14/05/34/195140534.db2.gz RTDDWSOWWIVRAO-HSZRJFAPSA-N 0 3 483.659 4.733 50 0 JJAAHN CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000012824681 195150550 /nfs/dbraw/zinc/15/05/50/195150550.db2.gz JKMIPFNCIXOSOV-UHFFFAOYSA-N 0 3 483.609 4.707 50 0 JJAAHN CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCN1CCCC1)C(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000020727720 195208529 /nfs/dbraw/zinc/20/85/29/195208529.db2.gz ZEZOBVCUPLISHC-LFVJCYFKSA-N 0 3 482.024 4.616 50 0 JJAAHN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCN(C)Cc4ccccc4)cc3NC2=O)cc1 ZINC000020734074 195211877 /nfs/dbraw/zinc/21/18/77/195211877.db2.gz TUPIDONAPSTBJK-PCLIKHOPSA-N 0 3 473.598 4.642 50 0 JJAAHN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020761518 195217831 /nfs/dbraw/zinc/21/78/31/195217831.db2.gz JDTYZAJQIUXFIJ-UHFFFAOYSA-N 0 3 451.611 4.542 50 0 JJAAHN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCN1CCCCCC1)C3=O ZINC000020903215 195242851 /nfs/dbraw/zinc/24/28/51/195242851.db2.gz PJOJPGXFCCOAAO-GDLZYMKVSA-N 0 3 494.680 4.579 50 0 JJAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020904399 195244725 /nfs/dbraw/zinc/24/47/25/195244725.db2.gz IXLVEQSAEAXYGF-IGKWTDBASA-N 0 3 453.652 4.675 50 0 JJAAHN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020979283 195258797 /nfs/dbraw/zinc/25/87/97/195258797.db2.gz GHJOITOSHXOZEF-UHFFFAOYSA-N 0 3 453.590 4.674 50 0 JJAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931410 195251423 /nfs/dbraw/zinc/25/14/23/195251423.db2.gz DORUJLYEVPZDRZ-UHFFFAOYSA-N 0 3 467.704 4.539 50 0 JJAAHN CCc1cc2c(cc1S(=O)(=O)NCC1CCN(CCc3cccs3)CC1)[nH]c1c2C(=O)CCC1 ZINC000020990603 195262068 /nfs/dbraw/zinc/26/20/68/195262068.db2.gz FZVPCAGWWIEISM-UHFFFAOYSA-N 0 3 499.702 4.544 50 0 JJAAHN Cc1ccc(CN2CC[C@@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)C2)cc1 ZINC000020990100 195262150 /nfs/dbraw/zinc/26/21/50/195262150.db2.gz CABXBAYZBALCFC-NRFANRHFSA-N 0 3 493.673 4.740 50 0 JJAAHN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000021530375 195308495 /nfs/dbraw/zinc/30/84/95/195308495.db2.gz KZIFZRRTJGMGSN-HHHXNRCGSA-N 0 3 471.576 4.694 50 0 JJAAHN COc1cc(OC)cc([C@H](CC(=O)NCCN2CCCC2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096276292 130013709 /nfs/dbraw/zinc/01/37/09/130013709.db2.gz QUEZCDVCOGNVCR-NRFANRHFSA-N 0 3 455.986 4.573 50 0 JJAAHN CCCN1CCN(CCCNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4)cn32)CC1 ZINC000020490300 519858114 /nfs/dbraw/zinc/85/81/14/519858114.db2.gz UZIGBAWXNBHXPW-UHFFFAOYSA-N 0 3 475.662 4.672 50 0 JJAAHN CCCC(=O)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306898 519881065 /nfs/dbraw/zinc/88/10/65/519881065.db2.gz VGWAAPUJLMGHSN-QFIPXVFZSA-N 0 3 495.595 4.935 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305311 520154592 /nfs/dbraw/zinc/15/45/92/520154592.db2.gz AFVKQNIELBXATK-JOCHJYFZSA-N 0 3 467.610 4.743 50 0 JJAAHN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016752109 520424579 /nfs/dbraw/zinc/42/45/79/520424579.db2.gz WOSAEXLIYVOECX-RUZDIDTESA-N 0 3 478.589 4.786 50 0 JJAAHN CCOc1ccc(-c2csc3c2nc(N2CCN(C4CCCCC4)CC2)[nH]c3=O)cc1OCC ZINC000048989263 520812629 /nfs/dbraw/zinc/81/26/29/520812629.db2.gz BZIWSPVFQPFOII-UHFFFAOYSA-N 0 3 482.650 4.904 50 0 JJAAHN CC1CCN(c2ccc(-c3noc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)n3)cc2)CC1 ZINC000035457376 521038341 /nfs/dbraw/zinc/03/83/41/521038341.db2.gz MWLYTFAYMDSBFV-UHFFFAOYSA-N 0 3 491.611 4.754 50 0 JJAAHN CCC[C@]1(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014885955 521315030 /nfs/dbraw/zinc/31/50/30/521315030.db2.gz BPGLRWXJATWHBR-GGXMVOPNSA-N 0 3 475.633 4.835 50 0 JJAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014748843 521527630 /nfs/dbraw/zinc/52/76/30/521527630.db2.gz PFPWXDXDEJCZAX-UHFFFAOYSA-N 0 3 468.601 4.876 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004147843 521637436 /nfs/dbraw/zinc/63/74/36/521637436.db2.gz QWAOVVDXYJPXGJ-OZWZFHKISA-N 0 3 465.682 4.509 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036305520 521678282 /nfs/dbraw/zinc/67/82/82/521678282.db2.gz SRFWVMINDGQZFD-QFIPXVFZSA-N 0 3 467.610 4.886 50 0 JJAAHN CC[C@@H](C)N(CCNC(=O)C1CCN(c2nc3cc(C)ccc3[nH]2)CC1)Cc1cccs1 ZINC000033070899 522088079 /nfs/dbraw/zinc/08/80/79/522088079.db2.gz HYDMOWWEUYLVCT-LJQANCHMSA-N 0 3 453.656 4.566 50 0 JJAAHN CC[C@@H](C)N(CCNC(=O)C1CCN(c2nc3ccc(C)cc3[nH]2)CC1)Cc1cccs1 ZINC000033070899 522088087 /nfs/dbraw/zinc/08/80/87/522088087.db2.gz HYDMOWWEUYLVCT-LJQANCHMSA-N 0 3 453.656 4.566 50 0 JJAAHN COC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000016741744 522422184 /nfs/dbraw/zinc/42/21/84/522422184.db2.gz QKMTZGKZLVNVJQ-GOSISDBHSA-N 0 3 464.474 4.542 50 0 JJAAHN CC[C@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309676 522806684 /nfs/dbraw/zinc/80/66/84/522806684.db2.gz IYPMEVAZYMZVCI-REWPJTCUSA-N 0 3 462.631 4.511 50 0 JJAAHN Cc1cc(C)c2c(n1)sc(C(=O)NCCCN1CCN(C3CCCCC3)CC1)c2-n1cccc1 ZINC000020465959 524350718 /nfs/dbraw/zinc/35/07/18/524350718.db2.gz SZPNJSFLZRBBTQ-UHFFFAOYSA-N 0 3 479.694 4.774 50 0 JJAAHN COc1ccc(NC(=O)[C@H]2C[C@H](Cc3ccccc3)N[C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000035375671 524618520 /nfs/dbraw/zinc/61/85/20/524618520.db2.gz YMRSVAKAWVMGFM-OSADXMDESA-N 0 3 475.976 4.664 50 0 JJAAHN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCCN1CCCCC1 ZINC000021864573 525200797 /nfs/dbraw/zinc/20/07/97/525200797.db2.gz JGHVLOQMPKTXKU-MUUNZHRXSA-N 0 3 480.653 4.678 50 0 JJAAHN Cc1c(C(=O)NCCCN2CCc3ccccc3C2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078892 525609599 /nfs/dbraw/zinc/60/95/99/525609599.db2.gz UXEQGORSWHBTAP-UHFFFAOYSA-N 0 3 477.678 4.947 50 0 JJAAHN COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3ccccc3OC)CC2)c1 ZINC000012454152 525749841 /nfs/dbraw/zinc/74/98/41/525749841.db2.gz OVLFPKAPDPIXGA-XMMPIXPASA-N 0 3 494.661 4.935 50 0 JJAAHN Cc1ccc(-c2csc3ncnc(N4CCN(CCCOCC(F)(F)F)CC4)c23)cc1 ZINC000048287637 525788176 /nfs/dbraw/zinc/78/81/76/525788176.db2.gz UDPGLVJDVWATGP-UHFFFAOYSA-N 0 3 450.530 4.758 50 0 JJAAHN COc1cccc(C(=O)N(Cc2ccc(OCCN3CCCCC3)cc2)Cc2ccccn2)c1OC ZINC000014983889 525793082 /nfs/dbraw/zinc/79/30/82/525793082.db2.gz WKVVHKSEHQAYQF-UHFFFAOYSA-N 0 3 489.616 4.806 50 0 JJAAHN COc1cccc(CN2CCC([C@@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1 ZINC000014888997 525935983 /nfs/dbraw/zinc/93/59/83/525935983.db2.gz JATDHFXNTMUPED-MUUNZHRXSA-N 0 3 479.596 4.522 50 0 JJAAHN COc1cccc(C[C@@H](C2CCN(Cc3ccc4c(c3)CCO4)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014963814 526073389 /nfs/dbraw/zinc/07/33/89/526073389.db2.gz ORYQDTHKAHGYMJ-SANMLTNESA-N 0 3 474.601 4.819 50 0 JJAAHN CSc1ccc2cc(CN[C@H]3CCCc4ccccc43)c(N3CCN(C(C)=O)CC3)nc2c1 ZINC000014969919 526082381 /nfs/dbraw/zinc/08/23/81/526082381.db2.gz OOQRGSNXMCBONB-VWLOTQADSA-N 0 3 460.647 4.792 50 0 JJAAHN CSc1ccc2cc(CN[C@@H]3CCCc4ccccc43)c(N3CCN(C(C)=O)CC3)nc2c1 ZINC000014969915 526082622 /nfs/dbraw/zinc/08/26/22/526082622.db2.gz OOQRGSNXMCBONB-RUZDIDTESA-N 0 3 460.647 4.792 50 0 JJAAHN O=C(NCCN1CCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139913 526305043 /nfs/dbraw/zinc/30/50/43/526305043.db2.gz RHYWCTQFYVOLSS-UHFFFAOYSA-N 0 3 454.983 4.899 50 0 JJAAHN Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000012338161 526801489 /nfs/dbraw/zinc/80/14/89/526801489.db2.gz MHJQNGUNYJDPQO-SANMLTNESA-N 0 3 474.601 4.955 50 0 JJAAHN O=C(CSc1nccnc1Sc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000033168944 527071857 /nfs/dbraw/zinc/07/18/57/527071857.db2.gz OXUOXPUCSSZDTR-UHFFFAOYSA-N 0 3 450.633 4.501 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461442 527530793 /nfs/dbraw/zinc/53/07/93/527530793.db2.gz NXMPXWLCRPCRKA-UHFFFAOYSA-N 0 3 487.673 4.625 50 0 JJAAHN CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000002890332 554408736 /nfs/dbraw/zinc/40/87/36/554408736.db2.gz ADVHGVUUHSNHOJ-QFIPXVFZSA-N 0 3 454.954 4.732 50 0 JJAAHN COc1ccc(C(=O)[C@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OC)cc2)CN(C)C)cc1 ZINC000006878679 554560149 /nfs/dbraw/zinc/56/01/49/554560149.db2.gz IYHZRMBBRCHWHH-PSWAGMNNSA-N 0 3 468.638 4.685 50 0 JJAAHN COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)N(C)C)cc1 ZINC000008762528 554662326 /nfs/dbraw/zinc/66/23/26/554662326.db2.gz JIHKVEBPGGQHQB-AREMUKBSSA-N 0 3 454.574 4.640 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009075819 554886957 /nfs/dbraw/zinc/88/69/57/554886957.db2.gz JOJPVLTWMUJQIU-QHAWAJNXSA-N 0 3 467.294 4.639 50 0 JJAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)C5CCCCC5)ccc4n3C)CC2)cc1 ZINC000009124123 554914999 /nfs/dbraw/zinc/91/49/99/554914999.db2.gz QXDHXMZZYBJSID-UHFFFAOYSA-N 0 3 459.638 4.765 50 0 JJAAHN CCN1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cccc(Br)c2)CC1 ZINC000009151157 554937461 /nfs/dbraw/zinc/93/74/61/554937461.db2.gz ZOCNKQVXVGPWQP-UHFFFAOYSA-N 0 3 460.372 4.696 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(C)nc4c32)cc1 ZINC000009186971 554959119 /nfs/dbraw/zinc/95/91/19/554959119.db2.gz UNEHRSQJOQLERA-FQEVSTJZSA-N 0 3 458.909 4.875 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(C)nc4c32)cc1 ZINC000009186970 554959151 /nfs/dbraw/zinc/95/91/51/554959151.db2.gz UNEHRSQJOQLERA-HXUWFJFHSA-N 0 3 458.909 4.875 50 0 JJAAHN COc1ccccc1CN(C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)C1CCN(C)CC1 ZINC000009227624 555000582 /nfs/dbraw/zinc/00/05/82/555000582.db2.gz MJFDMFCSPGMCRR-UHFFFAOYSA-N 0 3 476.621 4.794 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009462350 555231270 /nfs/dbraw/zinc/23/12/70/555231270.db2.gz DSKQGJXZLGUQBV-NJDAHSKKSA-N 0 3 467.294 4.639 50 0 JJAAHN Cc1ccc2nc(-c3ccccc3)c(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)n2c1 ZINC000009477911 555259403 /nfs/dbraw/zinc/25/94/03/555259403.db2.gz JBEZHVREXIKTSI-UHFFFAOYSA-N 0 3 468.557 4.889 50 0 JJAAHN Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)no1 ZINC000009488252 555263640 /nfs/dbraw/zinc/26/36/40/555263640.db2.gz VXKKUPGASUMCSX-GOSISDBHSA-N 0 3 455.239 4.741 50 0 JJAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccn3)sc2c1 ZINC000009579675 555383715 /nfs/dbraw/zinc/38/37/15/555383715.db2.gz LEXCBGJOTHMKOP-NRFANRHFSA-N 0 3 455.495 4.946 50 0 JJAAHN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000009671561 555391444 /nfs/dbraw/zinc/39/14/44/555391444.db2.gz JFQMCWBZNSLXBW-QFIPXVFZSA-N 0 3 452.558 4.552 50 0 JJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)cc1 ZINC000009693067 555422491 /nfs/dbraw/zinc/42/24/91/555422491.db2.gz KYKGUVJYSYOGIY-UHFFFAOYSA-N 0 3 477.586 4.504 50 0 JJAAHN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c1-c1ccccc1 ZINC000009614573 555451543 /nfs/dbraw/zinc/45/15/43/555451543.db2.gz YPODBEIEOMFJRU-SSEXGKCCSA-N 0 3 492.623 4.603 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013563798 555498719 /nfs/dbraw/zinc/49/87/19/555498719.db2.gz JZDBCNWYNNNJMC-HKBOAZHASA-N 0 3 467.294 4.639 50 0 JJAAHN COc1cc2c(cc1C(=O)Cc1ccccc1)[C@H](CCc1cc(OC)c(OC)c(OC)c1)NCC2 ZINC000019865855 555521005 /nfs/dbraw/zinc/52/10/05/555521005.db2.gz QRGCAQVTBTWDEX-DEOSSOPVSA-N 0 3 475.585 4.966 50 0 JJAAHN O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@H](NCc1ccccc1Cl)CC3 ZINC000019885542 555528650 /nfs/dbraw/zinc/52/86/50/555528650.db2.gz HBFQIQGIPIXTQM-QGZVFWFLSA-N 0 3 453.970 4.946 50 0 JJAAHN Cc1cccc(N2CCN(CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@@H]2C)c1 ZINC000009857768 555559032 /nfs/dbraw/zinc/55/90/32/555559032.db2.gz FYXBWCHZYQXSTO-FQEVSTJZSA-N 0 3 461.631 4.947 50 0 JJAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019962068 555573369 /nfs/dbraw/zinc/57/33/69/555573369.db2.gz FTRVEAJWWQPDCO-DEOSSOPVSA-N 0 3 471.561 4.802 50 0 JJAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3ccc(Cl)cc3)n3c4ccccc4nc32)cc1 ZINC000019962203 555573735 /nfs/dbraw/zinc/57/37/35/555573735.db2.gz WQGRPZWMRPKJTJ-QHCPKHFHSA-N 0 3 474.948 4.858 50 0 JJAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)CN3CCN(CCO)CC3)c2c(C)c1 ZINC000020031679 555606714 /nfs/dbraw/zinc/60/67/14/555606714.db2.gz AZIGWLHAHSFDBH-HHHXNRCGSA-N 0 3 483.656 4.563 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000013810694 555626103 /nfs/dbraw/zinc/62/61/03/555626103.db2.gz TZHBVQBOBJMIHW-NJDAHSKKSA-N 0 3 456.395 4.896 50 0 JJAAHN Cc1cc(C)n(-c2nc3sc4c(c3c(SCCN3CCCCC3)n2)CC(C)(C)OC4)n1 ZINC000013811262 555627477 /nfs/dbraw/zinc/62/74/77/555627477.db2.gz UKFSXCBZTFMSSN-UHFFFAOYSA-N 0 3 457.669 4.923 50 0 JJAAHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100455 555633557 /nfs/dbraw/zinc/63/35/57/555633557.db2.gz LBRZEVPOTFRNNF-UHFFFAOYSA-N 0 3 471.620 4.972 50 0 JJAAHN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1 ZINC000020114941 555652694 /nfs/dbraw/zinc/65/26/94/555652694.db2.gz AQWYUQYBRCWWOR-QHCPKHFHSA-N 0 3 499.080 4.711 50 0 JJAAHN COC(=O)c1cc(CNC[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC ZINC000014092953 555685558 /nfs/dbraw/zinc/68/55/58/555685558.db2.gz HNEGAGMLSGLAAK-OAQYLSRUSA-N 0 3 457.611 4.725 50 0 JJAAHN COc1ccc2c(c1)c([C@H](O)CN1CCN(c3ccccc3)CC1)c(C)n2Cc1ccccc1 ZINC000020267560 555748602 /nfs/dbraw/zinc/74/86/02/555748602.db2.gz YXQCMTVGQGWUAK-MUUNZHRXSA-N 0 3 455.602 4.862 50 0 JJAAHN Clc1ccc(-c2noc3ncnc(NCCCN4CCN(Cc5ccccc5)CC4)c32)cc1 ZINC000020330082 555775405 /nfs/dbraw/zinc/77/54/05/555775405.db2.gz AHUZFOMMKKKDEG-UHFFFAOYSA-N 0 3 462.985 4.558 50 0 JJAAHN CCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000011614432 555790986 /nfs/dbraw/zinc/79/09/86/555790986.db2.gz RMRWJXAKORYUQN-JOCHJYFZSA-N 0 3 499.405 4.841 50 0 JJAAHN CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532131 555800139 /nfs/dbraw/zinc/80/01/39/555800139.db2.gz KVBYLEZRFGLCJB-GOSISDBHSA-N 0 3 484.622 4.825 50 0 JJAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020532250 555801358 /nfs/dbraw/zinc/80/13/58/555801358.db2.gz ZTLMQFRQKFXQPX-INIZCTEOSA-N 0 3 452.580 4.571 50 0 JJAAHN CCOC(=O)c1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)cc1 ZINC000020532240 555801403 /nfs/dbraw/zinc/80/14/03/555801403.db2.gz HHKMNTZPBXMAIF-QGZVFWFLSA-N 0 3 466.607 4.976 50 0 JJAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3CCC(C)C)cc1 ZINC000014532956 555820941 /nfs/dbraw/zinc/82/09/41/555820941.db2.gz IIECSORTBAFVPX-UHFFFAOYSA-N 0 3 479.621 4.549 50 0 JJAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2ccccc2C)CC3)cc1 ZINC000014532796 555821007 /nfs/dbraw/zinc/82/10/07/555821007.db2.gz JSAVXFBKWVCVHE-UHFFFAOYSA-N 0 3 463.622 4.501 50 0 JJAAHN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccccc3Cl)CC2)N1CCc1ccccc1 ZINC000014537358 555826681 /nfs/dbraw/zinc/82/66/81/555826681.db2.gz AYVVMJWPPJIOQC-UHFFFAOYSA-N 0 3 489.019 4.777 50 0 JJAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(Cc2nc(-c4ccccc4)cs2)C3=O)CC1 ZINC000011791306 555827801 /nfs/dbraw/zinc/82/78/01/555827801.db2.gz BGLIBPKJPHVSIO-UHFFFAOYSA-N 0 3 474.630 4.774 50 0 JJAAHN COc1ccccc1/C=C/CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014539563 555829367 /nfs/dbraw/zinc/82/93/67/555829367.db2.gz AWMBCVZHCZNKGQ-UKTHLTGXSA-N 0 3 496.611 4.603 50 0 JJAAHN CN(C)CCCn1c(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000011914292 555864998 /nfs/dbraw/zinc/86/49/98/555864998.db2.gz JAPQGRUOTLHROT-RQZHXJHFSA-N 0 3 498.718 4.965 50 0 JJAAHN Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2F)C4)cs1 ZINC000015068511 555868491 /nfs/dbraw/zinc/86/84/91/555868491.db2.gz BKOOYECFSSWCEX-IUODEOHRSA-N 0 3 472.586 4.758 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3cc(OC)c(OCc4ccccc4)c(OC)c3)cc2)CC1 ZINC000011951208 555869938 /nfs/dbraw/zinc/86/99/38/555869938.db2.gz NNGZAYUUMQWHAV-UHFFFAOYSA-N 0 3 475.589 4.677 50 0 JJAAHN O=C([C@@H]1CC12CCN(Cc1ccc(C(F)(F)F)cc1)CC2)N1CCN(c2ccccc2)CC1 ZINC000011963908 555870677 /nfs/dbraw/zinc/87/06/77/555870677.db2.gz FJUDRWSFTQPXOR-QHCPKHFHSA-N 0 3 457.540 4.656 50 0 JJAAHN CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000011998100 555880641 /nfs/dbraw/zinc/88/06/41/555880641.db2.gz WLIROEOMGULCBW-RPWUZVMVSA-N 0 3 450.579 4.921 50 0 JJAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012131074 555911968 /nfs/dbraw/zinc/91/19/68/555911968.db2.gz UIFCZIOZDCQNCB-QHCPKHFHSA-N 0 3 482.527 4.882 50 0 JJAAHN Cn1c(CCNC(=O)[C@@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)nc2ccccc21 ZINC000012151392 555924226 /nfs/dbraw/zinc/92/42/26/555924226.db2.gz RSULDLIYOOSWTN-QFIPXVFZSA-N 0 3 485.657 4.658 50 0 JJAAHN Cc1nc([C@@H](C)NC2CCN(c3ccc(CC(=O)NCCc4cccc(F)c4)cc3)CC2)cs1 ZINC000012151802 555924953 /nfs/dbraw/zinc/92/49/53/555924953.db2.gz SBHSJTSNRASLCK-LJQANCHMSA-N 0 3 480.653 4.812 50 0 JJAAHN COc1cccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3-c3cccc(OC)c3)CC2)c1 ZINC000012151849 555925128 /nfs/dbraw/zinc/92/51/28/555925128.db2.gz VKJYXISLVLCCBQ-VWLOTQADSA-N 0 3 494.661 4.935 50 0 JJAAHN COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c2ccccc12 ZINC000012213184 555944040 /nfs/dbraw/zinc/94/40/40/555944040.db2.gz GPXULYVIRBOMHK-HSZRJFAPSA-N 0 3 487.604 4.608 50 0 JJAAHN CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000015681877 555951178 /nfs/dbraw/zinc/95/11/78/555951178.db2.gz HRJOUQAFWGFFLX-UHFFFAOYSA-N 0 3 490.623 4.612 50 0 JJAAHN COc1ccc([C@H](CNCc2cccc(NC(=O)c3ccccc3Cl)c2)N2CCOCC2)cc1 ZINC000024754447 556150088 /nfs/dbraw/zinc/15/00/88/556150088.db2.gz KJAGPBUYBALXHR-SANMLTNESA-N 0 3 480.008 4.764 50 0 JJAAHN COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993442 556197654 /nfs/dbraw/zinc/19/76/54/556197654.db2.gz AAMROIYUGUZSDB-MUUNZHRXSA-N 0 3 476.617 4.561 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000018008364 556275817 /nfs/dbraw/zinc/27/58/17/556275817.db2.gz JBIMHYZVXXZPDS-QHAWAJNXSA-N 0 3 456.395 4.896 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccccc1F ZINC000018057137 556281230 /nfs/dbraw/zinc/28/12/30/556281230.db2.gz GKUKRAQJHRKUNW-QHAWAJNXSA-N 0 3 472.394 4.775 50 0 JJAAHN CCn1c2ccccc2c2cc(CN3CCc4nnc(CNC(=O)c5cc(C)oc5C)n4CC3)ccc21 ZINC000019228549 556336085 /nfs/dbraw/zinc/33/60/85/556336085.db2.gz PONJAOHKRJLNII-UHFFFAOYSA-N 0 3 496.615 4.604 50 0 JJAAHN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019355773 556344307 /nfs/dbraw/zinc/34/43/07/556344307.db2.gz IZDDHHNNBWUGAY-UHFFFAOYSA-N 0 3 488.661 4.543 50 0 JJAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000013128301 556347070 /nfs/dbraw/zinc/34/70/70/556347070.db2.gz RWIMCLMDIUYLHP-UHFFFAOYSA-N 0 3 465.601 4.909 50 0 JJAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCCC1=CCCCC1 ZINC000019743537 556365600 /nfs/dbraw/zinc/36/56/00/556365600.db2.gz SQTDWZDZNNLQSK-AZGAKELHSA-N 0 3 474.089 4.650 50 0 JJAAHN CCCO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000019792404 556371032 /nfs/dbraw/zinc/37/10/32/556371032.db2.gz HQGCTEZAKVLLAW-MHZLTWQESA-N 0 3 450.623 4.804 50 0 JJAAHN CCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000019792403 556371095 /nfs/dbraw/zinc/37/10/95/556371095.db2.gz HQGCTEZAKVLLAW-HHHXNRCGSA-N 0 3 450.623 4.804 50 0 JJAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3ccc(C)cc3)n3c4ccccc4nc32)cc1 ZINC000030937548 556388505 /nfs/dbraw/zinc/38/85/05/556388505.db2.gz VNDLVAOSHMTDEP-DEOSSOPVSA-N 0 3 454.530 4.513 50 0 JJAAHN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000032622625 556452329 /nfs/dbraw/zinc/45/23/29/556452329.db2.gz XDICNVOHFBORAS-HHHXNRCGSA-N 0 3 498.579 4.878 50 0 JJAAHN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000032721462 556474943 /nfs/dbraw/zinc/47/49/43/556474943.db2.gz HCFGOBGSMZIVRR-QFIPXVFZSA-N 0 3 478.618 4.697 50 0 JJAAHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000008687390 562953326 /nfs/dbraw/zinc/95/33/26/562953326.db2.gz TXPRPLRWADQUKQ-VWLOTQADSA-N 0 3 494.591 4.741 50 0 JJAAHN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057297049 569596134 /nfs/dbraw/zinc/59/61/34/569596134.db2.gz XSUOFURLSFYGQA-UHFFFAOYSA-N 0 3 473.602 4.692 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746556 569625564 /nfs/dbraw/zinc/62/55/64/569625564.db2.gz BIQWAWDCPFDBEG-UHFFFAOYSA-N 0 3 459.594 4.511 50 0 JJAAHN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000064816510 569633606 /nfs/dbraw/zinc/63/36/06/569633606.db2.gz GDTRRSUHHYWHLH-UHFFFAOYSA-N 0 3 490.648 4.833 50 0 JJAAHN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1)NCCN1CCCCC1 ZINC000034679961 569642809 /nfs/dbraw/zinc/64/28/09/569642809.db2.gz UBBMAUQDJZPWQV-UHFFFAOYSA-N 0 3 473.592 4.817 50 0 JJAAHN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000034679897 569642815 /nfs/dbraw/zinc/64/28/15/569642815.db2.gz LQIBKQVCLFHGES-UHFFFAOYSA-N 0 3 469.629 4.987 50 0 JJAAHN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000034697668 569647555 /nfs/dbraw/zinc/64/75/55/569647555.db2.gz BIBQDEBNNDMLLW-LSYYVWMOSA-N 0 3 457.593 4.812 50 0 JJAAHN COc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697659 569647568 /nfs/dbraw/zinc/64/75/68/569647568.db2.gz XWPJUDQLQBSVMU-UFHPHHKVSA-N 0 3 473.592 4.512 50 0 JJAAHN COc1cccc(C(=O)N2C[C@H](CN3CCN(c4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000034698411 569647795 /nfs/dbraw/zinc/64/77/95/569647795.db2.gz TXTJBSKVZDHKDV-RBJSKKJNSA-N 0 3 473.592 4.512 50 0 JJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4cccs4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698424 569647826 /nfs/dbraw/zinc/64/78/26/569647826.db2.gz XTJTWXAKSUYQSS-OFVILXPXSA-N 0 3 479.621 4.574 50 0 JJAAHN COc1cccc(C(=O)N2C[C@@H](CN3CCN(c4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000034698410 569647834 /nfs/dbraw/zinc/64/78/34/569647834.db2.gz TXTJBSKVZDHKDV-YWEHKCAJSA-N 0 3 473.592 4.512 50 0 JJAAHN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCCN3CCN(C)CC3)o2)cc1 ZINC000065036832 569653607 /nfs/dbraw/zinc/65/36/07/569653607.db2.gz ILYKBYHXKYUNPR-UHFFFAOYSA-N 0 3 489.664 4.991 50 0 JJAAHN CCOc1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1OC ZINC000065060093 569655237 /nfs/dbraw/zinc/65/52/37/569655237.db2.gz MLLNRTSTMJHRSJ-UHFFFAOYSA-N 0 3 470.013 4.767 50 0 JJAAHN CCN1CCN(c2c(CN(Cc3ccc(OC)cc3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836383 569665301 /nfs/dbraw/zinc/66/53/01/569665301.db2.gz MZYCBKQLLCHGHQ-UHFFFAOYSA-N 0 3 479.644 4.881 50 0 JJAAHN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CN(Cc1ccoc1)CC(C)C ZINC000034836319 569665411 /nfs/dbraw/zinc/66/54/11/569665411.db2.gz OWKCTHLQACKAGZ-UHFFFAOYSA-N 0 3 453.606 4.577 50 0 JJAAHN COc1c(C)cc([C@@H]2CCc3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cn3C2)cc1C ZINC000034899225 569669822 /nfs/dbraw/zinc/66/98/22/569669822.db2.gz AUXHFAOCXVTJBF-HSZRJFAPSA-N 0 3 472.633 4.633 50 0 JJAAHN COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CC[NH+](C(C)C)CC3)N2)cc1OC ZINC000065298582 569670828 /nfs/dbraw/zinc/67/08/28/569670828.db2.gz GLLABBRZVZEAGH-HXUWFJFHSA-N 0 3 458.002 4.787 50 0 biogenic JJAAHN O=CN(C1CCN(Cc2ccccc2)CC1)C1(C(=O)Nc2ccc3[nH]ccc3c2)CCCCC1 ZINC000035314002 569680380 /nfs/dbraw/zinc/68/03/80/569680380.db2.gz PSIXHUCDMMLXNN-UHFFFAOYSA-N 0 3 458.606 4.932 50 0 JJAAHN O=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CCN(C2CCCCC2)CC1 ZINC000035512328 569698456 /nfs/dbraw/zinc/69/84/56/569698456.db2.gz PUWGGGNXHLXBQN-UHFFFAOYSA-N 0 3 483.660 4.652 50 0 JJAAHN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CCN(C)C)C(=O)c2cccs2)c1 ZINC000085405122 569710247 /nfs/dbraw/zinc/71/02/47/569710247.db2.gz DGEXUWMBFRWOHO-UHFFFAOYSA-N 0 3 493.050 4.682 50 0 JJAAHN O[C@@H](COCc1ccco1)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313043 569760664 /nfs/dbraw/zinc/76/06/64/569760664.db2.gz IUHXWYFULOXPRA-HSZRJFAPSA-N 0 3 465.594 4.715 50 0 JJAAHN O[C@H](COCc1ccco1)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313042 569760667 /nfs/dbraw/zinc/76/06/67/569760667.db2.gz IUHXWYFULOXPRA-QHCPKHFHSA-N 0 3 465.594 4.715 50 0 JJAAHN Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000101013461 569779197 /nfs/dbraw/zinc/77/91/97/569779197.db2.gz IDGHCYMBHQVNLW-VSKRKVRLSA-N 0 3 463.331 4.809 50 0 JJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)c1 ZINC000101013461 569779198 /nfs/dbraw/zinc/77/91/98/569779198.db2.gz IDGHCYMBHQVNLW-VSKRKVRLSA-N 0 3 463.331 4.809 50 0 JJAAHN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101028253 569779957 /nfs/dbraw/zinc/77/99/57/569779957.db2.gz LAPBPRQUNKXYNB-BDTNDASRSA-N 0 3 497.334 4.831 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)c1 ZINC000101046666 569780453 /nfs/dbraw/zinc/78/04/53/569780453.db2.gz ICACOPHHXSRWJD-CYXNTTPDSA-N 0 3 450.494 4.900 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000101151109 569784707 /nfs/dbraw/zinc/78/47/07/569784707.db2.gz RMYQZKPQVRPYLQ-SMIHKQSGSA-N 0 3 478.932 4.717 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000101179439 569786221 /nfs/dbraw/zinc/78/62/21/569786221.db2.gz AIBHKCYLLCQTEJ-ZLNRFVROSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)C2ON1c1ccccc1 ZINC000101179439 569786223 /nfs/dbraw/zinc/78/62/23/569786223.db2.gz AIBHKCYLLCQTEJ-ZLNRFVROSA-N 0 3 493.357 4.817 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@H]3C2=O)cc1 ZINC000101190020 569786531 /nfs/dbraw/zinc/78/65/31/569786531.db2.gz NCVJUURNGMHNGL-WXFUMESZSA-N 0 3 460.555 4.858 50 0 JJAAHN CCC[C@@H](C(=O)NCCN1CCCC1)n1c(Cc2ccccc2F)nc2cc(C)c(C)cc21 ZINC000037397884 569786900 /nfs/dbraw/zinc/78/69/00/569786900.db2.gz MGPRJPQXIWKOSH-DEOSSOPVSA-N 0 3 450.602 4.936 50 0 JJAAHN COc1cc(CN2CCC(c3nc(C)ccc3C(=O)N(C)C3CCCCC3)CC2)ccc1O ZINC000037554522 569794843 /nfs/dbraw/zinc/79/48/43/569794843.db2.gz POVGFQYPTWJWGR-UHFFFAOYSA-N 0 3 451.611 4.889 50 0 JJAAHN CC1CCN([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995537 569813388 /nfs/dbraw/zinc/81/33/88/569813388.db2.gz JNMMCKMRMILIFO-IRLDBZIGSA-N 0 3 454.640 4.581 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000102698905 569816161 /nfs/dbraw/zinc/81/61/61/569816161.db2.gz DZYCNEOIDRKCLN-FDFHNCONSA-N 0 3 463.331 4.809 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000102736904 569818992 /nfs/dbraw/zinc/81/89/92/569818992.db2.gz FTVXESHJNBLTRS-CCDWMCETSA-N 0 3 458.514 4.535 50 0 JJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102754788 569821331 /nfs/dbraw/zinc/82/13/31/569821331.db2.gz DATOMUUNBYGINO-YPAWHYETSA-N 0 3 485.323 4.759 50 0 JJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(SC)cc3)[C@@H]2C1=O ZINC000102762401 569822197 /nfs/dbraw/zinc/82/21/97/569822197.db2.gz MCDHGROHRRBXPD-RBZQAINGSA-N 0 3 460.555 4.858 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000103002674 569831348 /nfs/dbraw/zinc/83/13/48/569831348.db2.gz QZXIZLNPZVLRRS-TWJOJJKGSA-N 0 3 450.494 4.900 50 0 JJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC23CCCCC3)cc1 ZINC000104796285 569846369 /nfs/dbraw/zinc/84/63/69/569846369.db2.gz HTTKUAUQGQVBGE-GIFXNVAJSA-N 0 3 484.754 4.631 50 0 JJAAHN CC(C)[C@H](NCC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000049574714 569848859 /nfs/dbraw/zinc/84/88/59/569848859.db2.gz QLIVVOVTXFWNCE-SQHAQQRYSA-N 0 3 486.678 4.830 50 0 JJAAHN CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000109047194 569860494 /nfs/dbraw/zinc/86/04/94/569860494.db2.gz AMTWGMKSVJXGJZ-GJZUVCINSA-N 0 3 491.657 4.809 50 0 JJAAHN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677270 569868666 /nfs/dbraw/zinc/86/86/66/569868666.db2.gz VSMLTCWYMIJBLE-ZCYQVOJMSA-N 0 3 489.582 4.610 50 0 JJAAHN COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCCN5CCCC[C@@H]35)CO4)c2=O)cc1OC ZINC000229711447 570041085 /nfs/dbraw/zinc/04/10/85/570041085.db2.gz LCHPQVANSHXVPE-YKSBVNFPSA-N 0 3 490.600 4.894 50 0 JJAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229991756 570043204 /nfs/dbraw/zinc/04/32/04/570043204.db2.gz NHAQAWKNVZFSDC-CKXMCULTSA-N 0 3 497.554 4.938 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000245228547 570055541 /nfs/dbraw/zinc/05/55/41/570055541.db2.gz LBPCMQHXRCHVBN-FOVJLYNBSA-N 0 3 451.636 4.572 50 0 JJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)c1 ZINC000245240594 570058136 /nfs/dbraw/zinc/05/81/36/570058136.db2.gz QKZMJQOZAPPNGO-YPAWHYETSA-N 0 3 479.330 4.509 50 0 JJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000245325227 570063997 /nfs/dbraw/zinc/06/39/97/570063997.db2.gz DDAVAODKVWGTQY-UBFVSLLYSA-N 0 3 458.514 4.622 50 0 JJAAHN COc1ccc(CCNCc2nn(Cc3ccccc3Cl)nc2-c2ccccc2)cc1OC ZINC000247900057 570071064 /nfs/dbraw/zinc/07/10/64/570071064.db2.gz FSTNXURDIYCCRN-UHFFFAOYSA-N 0 3 462.981 4.996 50 0 JJAAHN CCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248009998 570072679 /nfs/dbraw/zinc/07/26/79/570072679.db2.gz QVJHVKFNNGYQTK-HSZRJFAPSA-N 0 3 494.083 4.504 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)cc4)[C@]3(C)C2=O)cc1 ZINC000248257078 570076970 /nfs/dbraw/zinc/07/69/70/570076970.db2.gz TWPIELDCTJUEGR-DXBVXKBHSA-N 0 3 458.514 4.535 50 0 JJAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000252478108 570081588 /nfs/dbraw/zinc/08/15/88/570081588.db2.gz ADURSMQYZUPIDA-UHFFFAOYSA-N 0 3 471.645 4.660 50 0 JJAAHN C[C@H](NC(=O)c1ccc(N2CCC(NCc3cn4ccccc4n3)CC2)cc1)c1ccccc1 ZINC000299788713 570176887 /nfs/dbraw/zinc/17/68/87/570176887.db2.gz ZRCRYKVMSTUPLA-NRFANRHFSA-N 0 3 453.590 4.584 50 0 JJAAHN COc1ccc2cc(CNC[C@H]3COc4ccccc4O3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000299792097 570176920 /nfs/dbraw/zinc/17/69/20/570176920.db2.gz FGFLPLZMLSXQAG-QFIPXVFZSA-N 0 3 476.960 4.641 50 0 JJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2nc(C)c(Cl)c2C)c1 ZINC000001294265 194081830 /nfs/dbraw/zinc/08/18/30/194081830.db2.gz IDTCDVWPZBGULV-DEOSSOPVSA-N 0 3 450.970 4.935 50 0 biogenic JJAAHN Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)c(C)c1 ZINC000002967817 194185257 /nfs/dbraw/zinc/18/52/57/194185257.db2.gz ILQBTJWDTHYRJX-JOCHJYFZSA-N 0 3 488.638 4.963 50 0 JJAAHN CCOC(=O)c1c2cc(OC[C@H](O)CNCc3ccc4c(c3)OCO4)ccc2oc1-c1ccccc1 ZINC000003264841 194256283 /nfs/dbraw/zinc/25/62/83/194256283.db2.gz ISNLHWMBQVWFEU-HXUWFJFHSA-N 0 3 489.524 4.535 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000009115544 194535057 /nfs/dbraw/zinc/53/50/57/194535057.db2.gz MFYQOZNRIOKVMD-HKBQPEDESA-N 0 3 456.995 4.635 50 0 JJAAHN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000009386181 194731973 /nfs/dbraw/zinc/73/19/73/194731973.db2.gz IFBMKWCFXQTDTE-UHFFFAOYSA-N 0 3 496.611 4.951 50 0 JJAAHN Cc1cccn2cc(COc3ccccc3C(=O)NC[C@H](c3ccccc3)N3CCCC3)nc12 ZINC000012601908 195047082 /nfs/dbraw/zinc/04/70/82/195047082.db2.gz HQUSXEYZGGYQDI-RUZDIDTESA-N 0 3 454.574 4.789 50 0 JJAAHN COc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)N2CCCCC2)cc1 ZINC000012634317 195065872 /nfs/dbraw/zinc/06/58/72/195065872.db2.gz PAGXWHPDWQQTLU-HNRBIFIRSA-N 0 3 494.680 4.757 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)c(Br)s1 ZINC000012798416 195137904 /nfs/dbraw/zinc/13/79/04/195137904.db2.gz XXYTXBRNLOWCFR-UHFFFAOYSA-N 0 3 458.219 4.668 50 0 JJAAHN CN(C)Cc1ccccc1CNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000012850425 195154402 /nfs/dbraw/zinc/15/44/02/195154402.db2.gz ZLBAJKCAWQPXMK-UHFFFAOYSA-N 0 3 479.675 4.926 50 0 JJAAHN Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882793 195169491 /nfs/dbraw/zinc/16/94/91/195169491.db2.gz ZMCLAKRFLJWBKS-KOSHJBKYSA-N 0 3 484.522 4.515 50 0 JJAAHN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N2CCN(C3CCCCC3)CC2)c1C ZINC000020760647 195217566 /nfs/dbraw/zinc/21/75/66/195217566.db2.gz AGSPESAVLFIMPT-UHFFFAOYSA-N 0 3 451.611 4.507 50 0 JJAAHN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCCN3CCCC[C@H]23)CO4)c(OC)c1 ZINC000020763405 195219526 /nfs/dbraw/zinc/21/95/26/195219526.db2.gz LVPHRICAQHKGBX-NBGIEHNGSA-N 0 3 490.600 4.894 50 0 biogenic JJAAHN CN(CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000020902841 195241999 /nfs/dbraw/zinc/24/19/99/195241999.db2.gz PKOJSLXHXFNGRH-PMERELPUSA-N 0 3 486.660 4.827 50 0 JJAAHN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCc2ccccc2C1 ZINC000020902863 195242361 /nfs/dbraw/zinc/24/23/61/195242361.db2.gz UJBQSKCMONZCDY-WJOKGBTCSA-N 0 3 498.671 4.753 50 0 JJAAHN CC(C)Cn1cc(NC(=O)NCC2CCN(Cc3cccc(F)c3)CC2)c2ccccc2c1=O ZINC000020941560 195255897 /nfs/dbraw/zinc/25/58/97/195255897.db2.gz XRAKBSGNUREHMR-UHFFFAOYSA-N 0 3 464.585 4.830 50 0 JJAAHN COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n[nH]2)cc1 ZINC000021017207 195266980 /nfs/dbraw/zinc/26/69/80/195266980.db2.gz VWNOHWXUSXATPV-UHFFFAOYSA-N 0 3 452.558 4.633 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021364823 195299822 /nfs/dbraw/zinc/29/98/22/195299822.db2.gz ZELVVVJQCZCSFK-MUUNZHRXSA-N 0 3 482.669 4.924 50 0 JJAAHN CCOc1ccc(CNC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1 ZINC000021525860 195304621 /nfs/dbraw/zinc/30/46/21/195304621.db2.gz ANWTWBQIJBIFOT-UHFFFAOYSA-N 0 3 483.616 4.590 50 0 JJAAHN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611536 195353552 /nfs/dbraw/zinc/35/35/52/195353552.db2.gz ALAJCMSTJNXVPA-NLFFAJNJSA-N 0 3 462.638 4.997 50 0 JJAAHN Cc1c(NC(=O)[C@H](C)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611535 195353568 /nfs/dbraw/zinc/35/35/68/195353568.db2.gz ALAJCMSTJNXVPA-NBGIEHNGSA-N 0 3 462.638 4.997 50 0 JJAAHN Brc1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000016523828 518207456 /nfs/dbraw/zinc/20/74/56/518207456.db2.gz GUONVHVGXBZHGQ-UHFFFAOYSA-N 0 3 470.396 4.957 50 0 JJAAHN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036149206 519652723 /nfs/dbraw/zinc/65/27/23/519652723.db2.gz FKTVRACDRXTYPP-AREMUKBSSA-N 0 3 493.648 4.604 50 0 JJAAHN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000021858779 519661573 /nfs/dbraw/zinc/66/15/73/519661573.db2.gz JMFXMXFRWQOVBE-PMERELPUSA-N 0 3 486.660 4.683 50 0 JJAAHN CC(C)CN(CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)CC(C)C ZINC000009731670 519717284 /nfs/dbraw/zinc/71/72/84/519717284.db2.gz NXZWWNHQHFYEOD-UHFFFAOYSA-N 0 3 489.465 4.904 50 0 JJAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccco1 ZINC000036149179 519717974 /nfs/dbraw/zinc/71/79/74/519717974.db2.gz UFFDCPSPFKPSSE-QFIPXVFZSA-N 0 3 453.583 4.571 50 0 JJAAHN CCCC(=O)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306895 519881432 /nfs/dbraw/zinc/88/14/32/519881432.db2.gz VGWAAPUJLMGHSN-JOCHJYFZSA-N 0 3 495.595 4.935 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307355 520091315 /nfs/dbraw/zinc/09/13/15/520091315.db2.gz XKHAFMFFBDUQOW-QFIPXVFZSA-N 0 3 453.558 4.628 50 0 JJAAHN CCOc1cc(CNC(C)(C)CO)cc(I)c1OCc1ccccc1Cl ZINC000016382336 520707293 /nfs/dbraw/zinc/70/72/93/520707293.db2.gz FWUOZVBZJCGUNU-UHFFFAOYSA-N 0 3 489.781 4.783 50 0 JJAAHN CCOc1ccccc1CN1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2cc(C)nn2C)CC1 ZINC000014987556 521481584 /nfs/dbraw/zinc/48/15/84/521481584.db2.gz OVXCRYCKYREKLF-AREMUKBSSA-N 0 3 474.649 4.723 50 0 JJAAHN CCC(CC)N1CCN(c2ccc3nc(C(=O)NCc4ccc(Cl)cc4)ccc3n2)CC1 ZINC000021880478 521564502 /nfs/dbraw/zinc/56/45/02/521564502.db2.gz DFLGFXRTCQGPPX-UHFFFAOYSA-N 0 3 452.002 4.524 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036249856 521679693 /nfs/dbraw/zinc/67/96/93/521679693.db2.gz KEVKTXGSNIFCST-QHCPKHFHSA-N 0 3 479.621 4.992 50 0 JJAAHN CN(C)CCNC=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022788194 521787311 /nfs/dbraw/zinc/78/73/11/521787311.db2.gz ZUGMTXDCVONBCH-UHFFFAOYSA-N 0 3 490.218 4.913 50 0 JJAAHN COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)o1 ZINC000012244227 522960212 /nfs/dbraw/zinc/96/02/12/522960212.db2.gz UIJARWJGDONLCU-DEOSSOPVSA-N 0 3 493.652 4.716 50 0 JJAAHN CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2o1 ZINC000014995243 522961604 /nfs/dbraw/zinc/96/16/04/522961604.db2.gz BOMCJSBTZKDMFN-UHFFFAOYSA-N 0 3 469.585 4.626 50 0 JJAAHN CC[C@@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309678 522990131 /nfs/dbraw/zinc/99/01/31/522990131.db2.gz IYPMEVAZYMZVCI-OFNKIYASSA-N 0 3 462.631 4.511 50 0 JJAAHN CC[C@@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310124 522990253 /nfs/dbraw/zinc/99/02/53/522990253.db2.gz YLXDLMZVCJHGDX-VWNXMTODSA-N 0 3 472.695 4.989 50 0 JJAAHN COc1ccc(C(=O)Nc2ccc(N3CCC(NCc4cn5c(cccc5C)n4)CC3)cc2)cc1 ZINC000014989697 523752097 /nfs/dbraw/zinc/75/20/97/523752097.db2.gz ALNGCSFKHCYQFQ-UHFFFAOYSA-N 0 3 469.589 4.662 50 0 JJAAHN CN1CCN(CCCNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000022810709 523899259 /nfs/dbraw/zinc/89/92/59/523899259.db2.gz HZEKLXKPSMNQBZ-UHFFFAOYSA-N 0 3 453.681 4.522 50 0 JJAAHN CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)ncn2)cc1 ZINC000033311934 524009420 /nfs/dbraw/zinc/00/94/20/524009420.db2.gz BCJXWLCSHMGJQT-UHFFFAOYSA-N 0 3 477.653 4.525 50 0 JJAAHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCCN(C)Cc1ccccc1 ZINC000021811406 524141012 /nfs/dbraw/zinc/14/10/12/524141012.db2.gz WCLOMZOYASIYID-XZFDQLJLSA-N 0 3 490.648 4.666 50 0 JJAAHN Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000036061493 524456675 /nfs/dbraw/zinc/45/66/75/524456675.db2.gz VKYAVCZCRDTDGM-UHFFFAOYSA-N 0 3 497.599 4.677 50 0 JJAAHN COc1ccc(Oc2c(CN(C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306086 524989820 /nfs/dbraw/zinc/98/98/20/524989820.db2.gz OLQSORCLUWDPCG-QFIPXVFZSA-N 0 3 467.610 4.884 50 0 JJAAHN Cc1cc(O)c([C@@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000022698034 525326259 /nfs/dbraw/zinc/32/62/59/525326259.db2.gz LRCIECWFTKWZAN-GDLZYMKVSA-N 0 3 480.612 4.745 50 0 JJAAHN Cc1c(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cnn1C ZINC000012205066 525705289 /nfs/dbraw/zinc/70/52/89/525705289.db2.gz PONPKIQMLQGGGZ-DEOSSOPVSA-N 0 3 454.615 4.525 50 0 JJAAHN Cc1c(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cnn1C ZINC000012205073 525705876 /nfs/dbraw/zinc/70/58/76/525705876.db2.gz PONPKIQMLQGGGZ-XMMPIXPASA-N 0 3 454.615 4.525 50 0 JJAAHN COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3ccc(O)cc3)CC2)c1 ZINC000014982846 525749073 /nfs/dbraw/zinc/74/90/73/525749073.db2.gz LRDVOFWSPRPXTI-XMMPIXPASA-N 0 3 480.634 4.632 50 0 JJAAHN COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(-c4ccccc4C)cc2)CC3)c1 ZINC000014990536 525826500 /nfs/dbraw/zinc/82/65/00/525826500.db2.gz GAZAHHXATXKEKC-QFIPXVFZSA-N 0 3 495.627 4.811 50 0 JJAAHN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C[C@H](O)COCc3ccco3)n2)cc1Cl ZINC000036147716 525878795 /nfs/dbraw/zinc/87/87/95/525878795.db2.gz DDSLTBJUGPAIFX-QFIPXVFZSA-N 0 3 481.980 4.914 50 0 JJAAHN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC2CCN(Cc3ccccc3F)CC2)n1 ZINC000065010152 525968548 /nfs/dbraw/zinc/96/85/48/525968548.db2.gz NUOILKXGKSQPED-UHFFFAOYSA-N 0 3 462.525 4.881 50 0 JJAAHN Cc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCN(C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466725 526214792 /nfs/dbraw/zinc/21/47/92/526214792.db2.gz HTAYAXFGOVOYIN-UHFFFAOYSA-N 0 3 457.043 4.648 50 0 JJAAHN O=C(C1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012285469 526302826 /nfs/dbraw/zinc/30/28/26/526302826.db2.gz LSBXNASCHUFZKA-UHFFFAOYSA-N 0 3 497.639 4.561 50 0 JJAAHN c1ccc(COC2CCN(Cc3ccc4c(c3)CN(Cc3ccc5c(c3)OCO5)CCO4)CC2)cc1 ZINC000014986112 526471740 /nfs/dbraw/zinc/47/17/40/526471740.db2.gz DZQLDNBDPCDKBE-UHFFFAOYSA-N 0 3 486.612 4.991 50 0 JJAAHN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000014881652 526576071 /nfs/dbraw/zinc/57/60/71/526576071.db2.gz CFMHPEIECOBCCU-FREGXXQWSA-N 0 3 469.629 4.592 50 0 JJAAHN O=C(c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21)N1CCOCC1 ZINC000048345511 526624743 /nfs/dbraw/zinc/62/47/43/526624743.db2.gz OIVIKAJHXNVUOK-UHFFFAOYSA-N 0 3 492.623 4.619 50 0 JJAAHN O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055442 526698312 /nfs/dbraw/zinc/69/83/12/526698312.db2.gz CZPSKBWMQYKWGN-UHFFFAOYSA-N 0 3 481.596 4.947 50 0 JJAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000009731727 526731195 /nfs/dbraw/zinc/73/11/95/526731195.db2.gz OSBYGHIBYVOOJJ-GOSISDBHSA-N 0 3 459.034 4.506 50 0 JJAAHN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCCCN1CCC[C@@H](C)C1 ZINC000046141354 526864293 /nfs/dbraw/zinc/86/42/93/526864293.db2.gz NXCCWDQHBBPXLJ-OAHLLOKOSA-N 0 3 495.070 4.827 50 0 JJAAHN O=C1CC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000012454615 526995214 /nfs/dbraw/zinc/99/52/14/526995214.db2.gz OYXOPLPKQYLOHV-IBGZPJMESA-N 0 3 467.482 4.687 50 0 JJAAHN Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997608 527069612 /nfs/dbraw/zinc/06/96/12/527069612.db2.gz MYHCZWQXEFZLIJ-FZMZJTMJSA-N 0 3 490.576 4.897 50 0 JJAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)c2ccccc21 ZINC000014732241 527196559 /nfs/dbraw/zinc/19/65/59/527196559.db2.gz BVJRMENTUGXLJT-UHFFFAOYSA-N 0 3 466.585 4.760 50 0 JJAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)CN(Cc2ccncc2)C1 ZINC000014740934 527204149 /nfs/dbraw/zinc/20/41/49/527204149.db2.gz VFGAMFHJQMRNKA-LOSJGSFVSA-N 0 3 496.586 4.767 50 0 JJAAHN COc1ccc(C(=O)[C@H](CCCC[C@H](CN(C)C)C(=O)c2ccc(OC)cc2)CN(C)C)cc1 ZINC000006878680 554560247 /nfs/dbraw/zinc/56/02/47/554560247.db2.gz IYHZRMBBRCHWHH-DNQXCXABSA-N 0 3 468.638 4.685 50 0 JJAAHN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1C ZINC000008414237 554578277 /nfs/dbraw/zinc/57/82/77/554578277.db2.gz YXKZEYLDDJVWDV-ITYLOYPMSA-N 0 3 473.642 4.917 50 0 JJAAHN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccncc4)c3C)C2=O)cc1 ZINC000008451794 554597783 /nfs/dbraw/zinc/59/77/83/554597783.db2.gz MOVYSICDYGGFQL-HYARGMPZSA-N 0 3 476.558 4.563 50 0 JJAAHN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC1CCN(Cc2ccccc2)CC1)OC(C)(C)CC3 ZINC000008791363 554684500 /nfs/dbraw/zinc/68/45/00/554684500.db2.gz UCZSYLDHFDDGBI-UHFFFAOYSA-N 0 3 474.601 4.528 50 0 biogenic JJAAHN O=C(NCCN1CCCC1)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008913362 554805346 /nfs/dbraw/zinc/80/53/46/554805346.db2.gz QMXPIXCEYYOJST-UHFFFAOYSA-N 0 3 489.620 4.737 50 0 JJAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000008916627 554810998 /nfs/dbraw/zinc/81/09/98/554810998.db2.gz SUVBDWQXLWTGRI-NDEPHWFRSA-N 0 3 470.592 4.873 50 0 JJAAHN O=C(CCN1CCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919223 554815983 /nfs/dbraw/zinc/81/59/83/554815983.db2.gz CMLHGRIUIAZYAT-UHFFFAOYSA-N 0 3 462.413 4.676 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009013762 554865211 /nfs/dbraw/zinc/86/52/11/554865211.db2.gz GTXSJEFBMPBIQJ-PAHOUZJPSA-N 0 3 468.940 4.902 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009019358 554866771 /nfs/dbraw/zinc/86/67/71/554866771.db2.gz JZDBCNWYNNNJMC-NJYVYQBISA-N 0 3 467.294 4.639 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 ZINC000009210322 554979837 /nfs/dbraw/zinc/97/98/37/554979837.db2.gz QDIFXUMQWRCWDS-QHCPKHFHSA-N 0 3 487.523 4.975 50 0 JJAAHN CN(C)C(=O)Oc1ccccc1CN(C)CCCCCCN(C)Cc1ccccc1OC(=O)N(C)C ZINC000009216746 554985288 /nfs/dbraw/zinc/98/52/88/554985288.db2.gz ASNSKBOIPFMPBT-UHFFFAOYSA-N 0 3 498.668 4.932 50 0 JJAAHN C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000009265135 555040612 /nfs/dbraw/zinc/04/06/12/555040612.db2.gz UZWMUIVGYRBFBG-LJQANCHMSA-N 0 3 475.545 4.636 50 0 JJAAHN CCOc1ccc(CN(C)C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009282842 555053019 /nfs/dbraw/zinc/05/30/19/555053019.db2.gz BVENFMNYIOTMEI-DEOSSOPVSA-N 0 3 465.590 4.701 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009308380 555082318 /nfs/dbraw/zinc/08/23/18/555082318.db2.gz HRROAIDPKJDDAX-NJDAHSKKSA-N 0 3 472.394 4.775 50 0 JJAAHN CN(C(=S)NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21)C1CCN(C)CC1 ZINC000009373282 555134877 /nfs/dbraw/zinc/13/48/77/555134877.db2.gz YWYYJMOLSQLHOT-UHFFFAOYSA-N 0 3 497.462 4.705 50 0 JJAAHN CN1C(=O)c2ccccc2[C@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432484 555201603 /nfs/dbraw/zinc/20/16/03/555201603.db2.gz FHLQTCVWDSLCOU-DQEYMECFSA-N 0 3 477.630 4.813 50 0 JJAAHN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432481 555201610 /nfs/dbraw/zinc/20/16/10/555201610.db2.gz FHLQTCVWDSLCOU-JWQCQUIFSA-N 0 3 477.630 4.813 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(C)nc4c32)cc1 ZINC000009449333 555222153 /nfs/dbraw/zinc/22/21/53/555222153.db2.gz VEIWHMCBFNCRDT-HXUWFJFHSA-N 0 3 458.909 4.875 50 0 JJAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC)=NN12 ZINC000009462710 555231724 /nfs/dbraw/zinc/23/17/24/555231724.db2.gz PXPIZIZGRDFUOB-HXUWFJFHSA-N 0 3 456.384 4.813 50 0 JJAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)NC5CCCCC5)ccc4n3C)CC2)cc1 ZINC000009540797 555333952 /nfs/dbraw/zinc/33/39/52/555333952.db2.gz ZSQZFNJDWXNIHK-UHFFFAOYSA-N 0 3 474.653 4.701 50 0 JJAAHN CN(C)[C@@H](CNC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)c1ccccc1 ZINC000009672620 555395410 /nfs/dbraw/zinc/39/54/10/555395410.db2.gz QFGPPKABCRPRLJ-KRWDZBQOSA-N 0 3 497.568 4.692 50 0 JJAAHN CN(CCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000009674007 555398759 /nfs/dbraw/zinc/39/87/59/555398759.db2.gz JESKNTQILZXPRE-UHFFFAOYSA-N 0 3 470.617 4.860 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4C(C)(C)C)c3C)cc2)CC1 ZINC000009610313 555440345 /nfs/dbraw/zinc/44/03/45/555440345.db2.gz VLCVNBSXTWJRDT-UHFFFAOYSA-N 0 3 476.669 4.825 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013514481 555485350 /nfs/dbraw/zinc/48/53/50/555485350.db2.gz LTZLHLVQLXADCU-NJDAHSKKSA-N 0 3 455.297 4.750 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579418 555518626 /nfs/dbraw/zinc/51/86/26/555518626.db2.gz SDLLZOWNFWBEEQ-USHMODERSA-N 0 3 478.596 4.720 50 0 JJAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCCc5ccccc5F)C4=O)cc3)sc2c1 ZINC000019890010 555529479 /nfs/dbraw/zinc/52/94/79/555529479.db2.gz AQGZYESNXZRPGP-QFIPXVFZSA-N 0 3 459.546 4.875 50 0 JJAAHN Cc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n[nH]2)c(O)c1 ZINC000019897806 555533237 /nfs/dbraw/zinc/53/32/37/555533237.db2.gz LEPZDIQWVBCACL-UHFFFAOYSA-N 0 3 452.558 4.638 50 0 JJAAHN Cc1cc2sc(N3CCC[C@H](C(=O)NCCCN4CCc5ccccc5C4)C3)nc2c(C)c1 ZINC000009848385 555550494 /nfs/dbraw/zinc/55/04/94/555550494.db2.gz HRXSLMUGGRPHJD-QHCPKHFHSA-N 0 3 462.663 4.694 50 0 JJAAHN CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21 ZINC000013672828 555564286 /nfs/dbraw/zinc/56/42/86/555564286.db2.gz KSLCYQTUSSEGPT-MRXNPFEDSA-N 0 3 458.343 4.961 50 0 in-vitro JJAAHN O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013693153 555588010 /nfs/dbraw/zinc/58/80/10/555588010.db2.gz ODLFXSFQJMDVSJ-UHFFFAOYSA-N 0 3 462.590 4.514 50 0 JJAAHN CN(CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)C1CCCCC1 ZINC000020035900 555610661 /nfs/dbraw/zinc/61/06/61/555610661.db2.gz OZBQGSJLDSSUQW-UHFFFAOYSA-N 0 3 460.574 4.916 50 0 JJAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)C3ON2c2ccccc2)cc1 ZINC000013759052 555612188 /nfs/dbraw/zinc/61/21/88/555612188.db2.gz SLSDYWCIKPKNLR-BDTNDASRSA-N 0 3 463.331 4.809 50 0 JJAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100546 555633539 /nfs/dbraw/zinc/63/35/39/555633539.db2.gz AKAODWICOIEKFM-UHFFFAOYSA-N 0 3 453.630 4.832 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181506 555688653 /nfs/dbraw/zinc/68/86/53/555688653.db2.gz MKYFVEHNUALTMY-KWJZBXMYSA-N 0 3 489.563 4.786 50 0 JJAAHN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c2ccccc2n1 ZINC000010334132 555689494 /nfs/dbraw/zinc/68/94/94/555689494.db2.gz ZAIOGUJXXWKOOF-AREMUKBSSA-N 0 3 452.558 4.588 50 0 JJAAHN COc1ccc([C@@H](CN[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116571 555692077 /nfs/dbraw/zinc/69/20/77/555692077.db2.gz ZXNLYNQKRJINMN-VGOFRKELSA-N 0 3 457.530 4.654 50 0 JJAAHN COc1ccc([C@H](CN[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116575 555692093 /nfs/dbraw/zinc/69/20/93/555692093.db2.gz ZXNLYNQKRJINMN-VGSWGCGISA-N 0 3 457.530 4.654 50 0 JJAAHN CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 ZINC000014124321 555695823 /nfs/dbraw/zinc/69/58/23/555695823.db2.gz IDALVGOGORQMQZ-FQEVSTJZSA-N 0 3 453.612 4.555 50 0 JJAAHN CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)c1 ZINC000020532234 555801303 /nfs/dbraw/zinc/80/13/03/555801303.db2.gz GHFHJOYZGDZIJJ-QGZVFWFLSA-N 0 3 466.607 4.976 50 0 JJAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3ccccc3c1)CC2 ZINC000014532034 555819549 /nfs/dbraw/zinc/81/95/49/555819549.db2.gz NGCBLFAVDOELTQ-UHFFFAOYSA-N 0 3 456.590 4.690 50 0 JJAAHN Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011786613 555820212 /nfs/dbraw/zinc/82/02/12/555820212.db2.gz PWLIWYBIUAJLRL-QHCPKHFHSA-N 0 3 494.643 4.904 50 0 JJAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c1 ZINC000014533077 555821372 /nfs/dbraw/zinc/82/13/72/555821372.db2.gz RMUOHEUMDKAABH-UHFFFAOYSA-N 0 3 498.627 4.522 50 0 JJAAHN COc1ccc(CC[C@@H](C)N2CCN(c3cccc4c3C(=O)N(Cc3ccsc3)C4=O)CC2)cc1 ZINC000011790440 555826279 /nfs/dbraw/zinc/82/62/79/555826279.db2.gz YGSFBCHAGBXAOP-HXUWFJFHSA-N 0 3 489.641 4.696 50 0 JJAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 ZINC000014537871 555827388 /nfs/dbraw/zinc/82/73/88/555827388.db2.gz WPJWIQLDAPIWNM-UHFFFAOYSA-N 0 3 485.628 4.984 50 0 JJAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014539957 555830004 /nfs/dbraw/zinc/83/00/04/555830004.db2.gz IWCWOEGZEBSAGO-UHFFFAOYSA-N 0 3 490.629 4.638 50 0 JJAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014543050 555834032 /nfs/dbraw/zinc/83/40/32/555834032.db2.gz IKNOJPACILHCQP-UHFFFAOYSA-N 0 3 489.645 4.660 50 0 JJAAHN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000011880960 555849352 /nfs/dbraw/zinc/84/93/52/555849352.db2.gz YGDRBGALDXCFKB-SANMLTNESA-N 0 3 491.632 4.818 50 0 JJAAHN COC(=O)CC[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015067970 555868020 /nfs/dbraw/zinc/86/80/20/555868020.db2.gz GIQMRVFARWBLNK-YADARESESA-N 0 3 492.010 4.584 50 0 JJAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cn2cccn2)c1)Cc1cccc2cccnc21 ZINC000011978260 555875853 /nfs/dbraw/zinc/87/58/53/555875853.db2.gz LZWGPSNSVGZSFI-HHHXNRCGSA-N 0 3 497.643 4.914 50 0 JJAAHN Cc1ccc([C@@H](C)CCN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039589 555892249 /nfs/dbraw/zinc/89/22/49/555892249.db2.gz TZMJRXYFZNDVQP-QFIPXVFZSA-N 0 3 475.633 4.855 50 0 JJAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3cccs3)CC2)c1 ZINC000012151857 555925169 /nfs/dbraw/zinc/92/51/69/555925169.db2.gz ZMVOVQUFEXMBNH-NRFANRHFSA-N 0 3 470.664 4.988 50 0 JJAAHN CC[C@@H]1CN(CCC(=O)N[C@@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000012152857 555927342 /nfs/dbraw/zinc/92/73/42/555927342.db2.gz GQKLYLYPZABQGU-LXFBAYGMSA-N 0 3 459.590 4.668 50 0 JJAAHN O=C(c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1)N1CCN(C2CCCCC2)CC1 ZINC000015724419 555960169 /nfs/dbraw/zinc/96/01/69/555960169.db2.gz FJTZYEVFLOGPFC-UHFFFAOYSA-N 0 3 497.643 4.578 50 0 JJAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)o1 ZINC000015727619 555966834 /nfs/dbraw/zinc/96/68/34/555966834.db2.gz KFNLVTIPYHIDQE-LJQANCHMSA-N 0 3 465.598 4.809 50 0 JJAAHN C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000012383487 555971543 /nfs/dbraw/zinc/97/15/43/555971543.db2.gz RJEIESQXKZBDRY-MRXNPFEDSA-N 0 3 453.384 4.664 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000015732222 555976728 /nfs/dbraw/zinc/97/67/28/555976728.db2.gz CDMOYCPNUCXEFJ-GOSISDBHSA-N 0 3 464.591 4.810 50 0 JJAAHN C[C@@H]1CN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1 ZINC000012436522 555979930 /nfs/dbraw/zinc/97/99/30/555979930.db2.gz JYYUZJCGIJKDKE-VBQJREDUSA-N 0 3 496.243 4.790 50 0 JJAAHN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000023054967 556002919 /nfs/dbraw/zinc/00/29/19/556002919.db2.gz DHWJMJLZUUMISF-QFIPXVFZSA-N 0 3 494.488 4.626 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3csc(COc4ccc(F)cc4)n3)c(C)c2)CC1 ZINC000012536393 556009591 /nfs/dbraw/zinc/00/95/91/556009591.db2.gz GNAKFVOFYQJYOF-UHFFFAOYSA-N 0 3 454.571 4.564 50 0 JJAAHN O=C(CCCc1ccccc1)Nc1cccc(N2CCC(N3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000023362591 556049300 /nfs/dbraw/zinc/04/93/00/556049300.db2.gz LQKKQNXOBKSXJV-UHFFFAOYSA-N 0 3 497.687 4.830 50 0 JJAAHN CCN(C)CCN(CC)C(=O)CCc1cc2c(n1-c1ccc(OC)cc1)-c1ccccc1CC2 ZINC000023438500 556059235 /nfs/dbraw/zinc/05/92/35/556059235.db2.gz JBZPGAUOYYQYLM-UHFFFAOYSA-N 0 3 459.634 4.984 50 0 JJAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000012997716 556190284 /nfs/dbraw/zinc/19/02/84/556190284.db2.gz JXYQDMOXQXMNGZ-UHFFFAOYSA-N 0 3 468.601 4.859 50 0 JJAAHN CC1CCN([C@H](CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c2cccs2)CC1 ZINC000017126458 556221005 /nfs/dbraw/zinc/22/10/05/556221005.db2.gz WZTBXPAXIIQZNJ-JOCHJYFZSA-N 0 3 454.640 4.581 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000017859518 556269091 /nfs/dbraw/zinc/26/90/91/556269091.db2.gz PCGMEDOSPGFPJK-BDTNDASRSA-N 0 3 452.869 4.539 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018085254 556285500 /nfs/dbraw/zinc/28/55/00/556285500.db2.gz PRCFAYVJKTVJGO-GVAUOCQISA-N 0 3 476.504 4.674 50 0 JJAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000013127745 556344399 /nfs/dbraw/zinc/34/43/99/556344399.db2.gz GHJLDHVNGGAWQY-VWLOTQADSA-N 0 3 454.574 4.640 50 0 JJAAHN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019596808 556356400 /nfs/dbraw/zinc/35/64/00/556356400.db2.gz ZWLIOLNWONUVEB-UHFFFAOYSA-N 0 3 489.641 4.672 50 0 JJAAHN COc1ccc(CCN(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000013135806 556366528 /nfs/dbraw/zinc/36/65/28/556366528.db2.gz JUHKKAOQMHXTRE-XMMPIXPASA-N 0 3 471.544 4.623 50 0 JJAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817678 556383943 /nfs/dbraw/zinc/38/39/43/556383943.db2.gz WSAMNTPMYZUWQG-FQEVSTJZSA-N 0 3 465.435 4.567 50 0 JJAAHN Cc1cc(N(C)C)ccc1-c1nc2cc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)ccc2[nH]1 ZINC000031976950 556412289 /nfs/dbraw/zinc/41/22/89/556412289.db2.gz ADKLMOJIJGHCCD-UHFFFAOYSA-N 0 3 465.605 4.899 50 0 in-vitro JJAAHN Cc1cc(N(C)C)ccc1-c1nc2ccc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)cc2[nH]1 ZINC000031976950 556412291 /nfs/dbraw/zinc/41/22/91/556412291.db2.gz ADKLMOJIJGHCCD-UHFFFAOYSA-N 0 3 465.605 4.899 50 0 in-vitro JJAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000032622610 556452365 /nfs/dbraw/zinc/45/23/65/556452365.db2.gz FQNUBGOHIIEVEW-AREMUKBSSA-N 0 3 468.553 4.869 50 0 JJAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000032622608 556452400 /nfs/dbraw/zinc/45/24/00/556452400.db2.gz FQNUBGOHIIEVEW-SANMLTNESA-N 0 3 468.553 4.869 50 0 JJAAHN CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000032622854 556452758 /nfs/dbraw/zinc/45/27/58/556452758.db2.gz AONTWWBQTYIOMS-HSZRJFAPSA-N 0 3 484.980 4.741 50 0 JJAAHN Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000032952980 556568273 /nfs/dbraw/zinc/56/82/73/556568273.db2.gz FJWDNKREUDBITC-UHFFFAOYSA-N 0 3 479.628 4.543 50 0 JJAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(Cl)c1 ZINC000057251271 569594923 /nfs/dbraw/zinc/59/49/23/569594923.db2.gz BKXSESFGXCPBHJ-UHFFFAOYSA-N 0 3 465.022 4.789 50 0 JJAAHN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057358691 569599239 /nfs/dbraw/zinc/59/92/39/569599239.db2.gz HRUQFCKRNFGOKL-UHFFFAOYSA-N 0 3 459.638 4.659 50 0 JJAAHN O=C(NCc1cccnc1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064450184 569617018 /nfs/dbraw/zinc/61/70/18/569617018.db2.gz ADPZAPWTWJINLO-UHFFFAOYSA-N 0 3 456.565 4.752 50 0 JJAAHN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000033023437 569619514 /nfs/dbraw/zinc/61/95/14/569619514.db2.gz JSJDSBXRICBAKH-UHFFFAOYSA-N 0 3 473.614 4.545 50 0 JJAAHN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000034679759 569642764 /nfs/dbraw/zinc/64/27/64/569642764.db2.gz WWJXJXRMEIGKOA-UHFFFAOYSA-N 0 3 459.590 4.580 50 0 JJAAHN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(C[C@H](O)Cc4ccccc4)CC3)nc2)cc1 ZINC000034682181 569643762 /nfs/dbraw/zinc/64/37/62/569643762.db2.gz KDGZQBGISBPHMU-HHHXNRCGSA-N 0 3 486.660 4.747 50 0 JJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698433 569647784 /nfs/dbraw/zinc/64/77/84/569647784.db2.gz LEHPGKBDUYXZKL-UFHPHHKVSA-N 0 3 473.592 4.512 50 0 JJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698434 569647809 /nfs/dbraw/zinc/64/78/09/569647809.db2.gz LEHPGKBDUYXZKL-RBJSKKJNSA-N 0 3 473.592 4.512 50 0 JJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4cccs4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698423 569647820 /nfs/dbraw/zinc/64/78/20/569647820.db2.gz XTJTWXAKSUYQSS-BWKNWUBXSA-N 0 3 479.621 4.574 50 0 JJAAHN CCN1CCN(CCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)CC1 ZINC000065055128 569653960 /nfs/dbraw/zinc/65/39/60/569653960.db2.gz AWKRMJLBGSRBPP-UHFFFAOYSA-N 0 3 493.627 4.822 50 0 JJAAHN O=C(NCCCN1CCN(C2CCCCC2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063047 569656473 /nfs/dbraw/zinc/65/64/73/569656473.db2.gz HEUVVUORENIXDD-UHFFFAOYSA-N 0 3 479.650 4.535 50 0 JJAAHN O=C(CCN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830047 569663522 /nfs/dbraw/zinc/66/35/22/569663522.db2.gz VUNJPARLAWPHDZ-MHZLTWQESA-N 0 3 479.690 4.727 50 0 JJAAHN CCN1CCN(c2c(CN(Cc3cccc(O)c3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836378 569665324 /nfs/dbraw/zinc/66/53/24/569665324.db2.gz VMOTVSYAZSCUNP-UHFFFAOYSA-N 0 3 465.617 4.578 50 0 JJAAHN COc1ccc(NC(=O)[C@H]2C[C@H](Cc3ccccc3)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035375623 569684643 /nfs/dbraw/zinc/68/46/43/569684643.db2.gz NRKJPEUBGHBDRE-JQXZYWDBSA-N 0 3 475.976 4.664 50 0 JJAAHN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCN2CCCCC2)CC1 ZINC000035454691 569697585 /nfs/dbraw/zinc/69/75/85/569697585.db2.gz CPNFGMBSSJTKMM-HXUWFJFHSA-N 0 3 482.694 4.517 50 0 JJAAHN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000035562014 569704535 /nfs/dbraw/zinc/70/45/35/569704535.db2.gz UMMYBSXYGITLBP-UHFFFAOYSA-N 0 3 471.045 4.541 50 0 JJAAHN C[C@@H]1Oc2ccccc2OC1C(=O)N(CCn1cccn1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099446 569704793 /nfs/dbraw/zinc/70/47/93/569704793.db2.gz HGEHFEIJDCTXMP-XOBRGWDASA-N 0 3 488.491 4.773 50 0 JJAAHN CCN(CC)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)C)cc1 ZINC000035671301 569706090 /nfs/dbraw/zinc/70/60/90/569706090.db2.gz GOCKVWWXSGLZEQ-QGZVFWFLSA-N 0 3 456.637 4.709 50 0 JJAAHN COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(C4CCCC4)C[C@H]23)cc1 ZINC000035871495 569718811 /nfs/dbraw/zinc/71/88/11/569718811.db2.gz QDCRGHAUGJHLJS-LADGPHEKSA-N 0 3 473.539 4.958 50 0 JJAAHN COCCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@H](O)COC(C)C ZINC000036249925 569758172 /nfs/dbraw/zinc/75/81/72/569758172.db2.gz RCEFHVSDNNWHHE-DEOSSOPVSA-N 0 3 473.658 4.735 50 0 JJAAHN C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)c1cccs1 ZINC000036312839 569760476 /nfs/dbraw/zinc/76/04/76/569760476.db2.gz RAZKYLQKGWEMLL-IBGZPJMESA-N 0 3 452.624 4.986 50 0 JJAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC ZINC000036316158 569762171 /nfs/dbraw/zinc/76/21/71/569762171.db2.gz AQQHIFKNUKJYAQ-FQEVSTJZSA-N 0 3 459.537 4.767 50 0 JJAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341978 569765062 /nfs/dbraw/zinc/76/50/62/569765062.db2.gz DTKMWDDGZWROID-HSZRJFAPSA-N 0 3 467.610 4.837 50 0 JJAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341979 569765086 /nfs/dbraw/zinc/76/50/86/569765086.db2.gz DTKMWDDGZWROID-QHCPKHFHSA-N 0 3 467.610 4.837 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000100837924 569772026 /nfs/dbraw/zinc/77/20/26/569772026.db2.gz JZDBCNWYNNNJMC-NJDAHSKKSA-N 0 3 467.294 4.639 50 0 JJAAHN C[C@H](NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000036396651 569774941 /nfs/dbraw/zinc/77/49/41/569774941.db2.gz OPXHZZIJJOJXKM-NRFANRHFSA-N 0 3 453.586 4.543 50 0 JJAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100923774 569776007 /nfs/dbraw/zinc/77/60/07/569776007.db2.gz FPNWRGDFUMDEGI-VSKRKVRLSA-N 0 3 463.331 4.809 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000101029618 569779979 /nfs/dbraw/zinc/77/99/79/569779979.db2.gz MUXSDIFQXNKICF-BDTNDASRSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1OC ZINC000101025659 569780047 /nfs/dbraw/zinc/78/00/47/569780047.db2.gz FQBIEQVUWIYORW-AKFKNWHVSA-N 0 3 478.932 4.717 50 0 JJAAHN Cc1cccc(-n2nc3nc(NCCN4CCCCC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037357595 569783526 /nfs/dbraw/zinc/78/35/26/569783526.db2.gz QGIUVTOQDIZRPZ-UHFFFAOYSA-N 0 3 462.001 4.924 50 0 JJAAHN Cc1cccc(-n2nc3nc(N4CCN(C(C)C)CC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037357600 569783536 /nfs/dbraw/zinc/78/35/36/569783536.db2.gz RUVIKAWOXITTPX-UHFFFAOYSA-N 0 3 462.001 4.557 50 0 JJAAHN CC(C)c1ccc(-c2nc(N3CCN(C(C)C)CC3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037360903 569784030 /nfs/dbraw/zinc/78/40/30/569784030.db2.gz JRSAJACURYIPPZ-UHFFFAOYSA-N 0 3 469.637 4.778 50 0 JJAAHN Nc1c2c(nn1-c1ccccc1)nc(N1CCN(C3CCCCC3)CC1)nc2-c1cccs1 ZINC000037360111 569784084 /nfs/dbraw/zinc/78/40/84/569784084.db2.gz SXCSUOCZBLIXJJ-UHFFFAOYSA-N 0 3 459.623 4.581 50 0 JJAAHN Cc1cccc(-c2nc(NCCN3CCCCC3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037375702 569784359 /nfs/dbraw/zinc/78/43/59/569784359.db2.gz LJULYYSGHYHONH-UHFFFAOYSA-N 0 3 463.536 4.549 50 0 JJAAHN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCCN(C)Cc1ccccc1 ZINC000037443409 569791102 /nfs/dbraw/zinc/79/11/02/569791102.db2.gz WCLOMZOYASIYID-NWKHUOOYSA-N 0 3 490.648 4.666 50 0 JJAAHN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCCN1CCCC1 ZINC000037547237 569794451 /nfs/dbraw/zinc/79/44/51/569794451.db2.gz OFIYVSGRXBDCLZ-UHFFFAOYSA-N 0 3 468.548 4.704 50 0 JJAAHN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)NCCN1CCCCC1 ZINC000037600644 569797022 /nfs/dbraw/zinc/79/70/22/569797022.db2.gz ISAVSBVLDFMJCD-UHFFFAOYSA-N 0 3 491.582 4.956 50 0 JJAAHN Cc1ccc(CN(C(=O)c2cccc(F)c2)c2cccc(CC(=O)NCCN3CCCC3)c2)cc1 ZINC000037601117 569797103 /nfs/dbraw/zinc/79/71/03/569797103.db2.gz BMRFOTRJOWQEEX-UHFFFAOYSA-N 0 3 473.592 4.736 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccs1)Sc1ccccc1-2 ZINC000039360231 569809545 /nfs/dbraw/zinc/80/95/45/569809545.db2.gz GZQIVYVSTZMHSP-HOYKHHGWSA-N 0 3 479.671 4.811 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102663115 569815280 /nfs/dbraw/zinc/81/52/80/569815280.db2.gz JOJPVLTWMUJQIU-PCCBWWKXSA-N 0 3 467.294 4.639 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1OC ZINC000102722253 569817308 /nfs/dbraw/zinc/81/73/08/569817308.db2.gz FQBIEQVUWIYORW-CQOQZXRMSA-N 0 3 478.932 4.717 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102721521 569817380 /nfs/dbraw/zinc/81/73/80/569817380.db2.gz UCAUEEWOGIPRCQ-UODIDJSMSA-N 0 3 488.540 4.544 50 0 JJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102724166 569817566 /nfs/dbraw/zinc/81/75/66/569817566.db2.gz DDAVAODKVWGTQY-DSNGMDLFSA-N 0 3 458.514 4.622 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102729549 569817999 /nfs/dbraw/zinc/81/79/99/569817999.db2.gz ICACOPHHXSRWJD-TWJOJJKGSA-N 0 3 450.494 4.900 50 0 JJAAHN CCN1CCN(C[C@@H](C)CNc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000040149295 569818819 /nfs/dbraw/zinc/81/88/19/569818819.db2.gz YCGPHLHGCGAHQN-INIZCTEOSA-N 0 3 474.472 4.806 50 0 JJAAHN CN(CCCN1C(=O)[C@@H](Oc2ccc(F)cc2Cl)[C@@H]1c1cscn1)Cc1ccccc1 ZINC000040157684 569821641 /nfs/dbraw/zinc/82/16/41/569821641.db2.gz GDVNHVCDJAZRPM-VXKWHMMOSA-N 0 3 459.974 4.789 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102760865 569821955 /nfs/dbraw/zinc/82/19/55/569821955.db2.gz BKCRHPMTXGBVNX-PCCBWWKXSA-N 0 3 485.284 4.778 50 0 JJAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355566 569824031 /nfs/dbraw/zinc/82/40/31/569824031.db2.gz JHTOXSMYSKTUAL-UHFFFAOYSA-N 0 3 476.524 4.618 50 0 JJAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccc(F)cc3)C2)C1 ZINC000105046789 569851807 /nfs/dbraw/zinc/85/18/07/569851807.db2.gz RAFFUFMWAUILHI-SMIHKQSGSA-N 0 3 484.587 4.681 50 0 JJAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccc(F)cc3)C2)C1 ZINC000105046796 569851868 /nfs/dbraw/zinc/85/18/68/569851868.db2.gz RAFFUFMWAUILHI-WXFUMESZSA-N 0 3 484.587 4.681 50 0 JJAAHN COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(C4CCCC4)C[C@@H]23)cc1 ZINC000169679075 569869444 /nfs/dbraw/zinc/86/94/44/569869444.db2.gz QDCRGHAUGJHLJS-UPVQGACJSA-N 0 3 473.539 4.958 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226821087 570038832 /nfs/dbraw/zinc/03/88/32/570038832.db2.gz PRCFAYVJKTVJGO-ISJGIBHGSA-N 0 3 476.504 4.674 50 0 JJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229968385 570042792 /nfs/dbraw/zinc/04/27/92/570042792.db2.gz XCAQZBSZLIKKDG-YTFSRNRJSA-N 0 3 476.916 4.568 50 0 JJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000229979596 570042996 /nfs/dbraw/zinc/04/29/96/570042996.db2.gz DDAVAODKVWGTQY-ISJGIBHGSA-N 0 3 458.514 4.622 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2C)cc1 ZINC000238901106 570047605 /nfs/dbraw/zinc/04/76/05/570047605.db2.gz KXBLFULCECQWAW-ZLNRFVROSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239274844 570049909 /nfs/dbraw/zinc/04/99/09/570049909.db2.gz ASXVFWBECPQAOH-FKBYEOEOSA-N 0 3 452.869 4.539 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C)cc1 ZINC000245238430 570057474 /nfs/dbraw/zinc/05/74/74/570057474.db2.gz NYMXESZBJXQADW-DNVJHFABSA-N 0 3 490.581 4.901 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000245238430 570057475 /nfs/dbraw/zinc/05/74/75/570057475.db2.gz NYMXESZBJXQADW-DNVJHFABSA-N 0 3 490.581 4.901 50 0 JJAAHN CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(SC)cc1 ZINC000245311080 570063406 /nfs/dbraw/zinc/06/34/06/570063406.db2.gz MCDHGROHRRBXPD-TZRRMPRUSA-N 0 3 460.555 4.858 50 0 JJAAHN 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AFBAHBQBZFDTMQ-UHFFFAOYSA-N 0 3 458.602 4.845 50 0 JJAAHN COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCCN5CCCC[C@H]35)CO4)c2=O)cc1 ZINC000036569769 523158201 /nfs/dbraw/zinc/15/82/01/523158201.db2.gz XPTWAYCLCYQFRO-CJFMBICVSA-N 0 3 460.574 4.885 50 0 JJAAHN COCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055734 523313793 /nfs/dbraw/zinc/31/37/93/523313793.db2.gz IEKWVDJXPNEGTO-UHFFFAOYSA-N 0 3 454.014 4.708 50 0 JJAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014754469 523804352 /nfs/dbraw/zinc/80/43/52/523804352.db2.gz NRMHWNXAKWFWPW-UHFFFAOYSA-N 0 3 498.627 4.502 50 0 JJAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2cc4ccccc4[nH]2)CC3)cc1 ZINC000014745553 523944970 /nfs/dbraw/zinc/94/49/70/523944970.db2.gz ZCQOSRPUIVGQEI-UHFFFAOYSA-N 0 3 488.632 4.674 50 0 JJAAHN CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000014996338 523950973 /nfs/dbraw/zinc/95/09/73/523950973.db2.gz AXOWNVYLGZSKDR-AREMUKBSSA-N 0 3 497.035 4.900 50 0 JJAAHN 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WMPJNBWBNWRFMI-SXOMAYOGSA-N 0 3 466.622 4.614 50 0 JJAAHN CCOc1ccc(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)cc1 ZINC000011912573 555861405 /nfs/dbraw/zinc/86/14/05/555861405.db2.gz NPESGWOCKFFQOS-UHFFFAOYSA-N 0 3 473.617 4.918 50 0 JJAAHN CCN(CC)CCN(C(=O)c1ccccc1Br)c1nc2cc3c(cc2s1)OCO3 ZINC000012140875 555919718 /nfs/dbraw/zinc/91/97/18/555919718.db2.gz RFUISWJTHSCTJQ-UHFFFAOYSA-N 0 3 476.396 4.776 50 0 JJAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CCN(Cc4ccccc4Cl)CC3)c21 ZINC000015727470 555966694 /nfs/dbraw/zinc/96/66/94/555966694.db2.gz TVHXBBLPVJXSPW-UHFFFAOYSA-N 0 3 456.974 4.994 50 0 JJAAHN O=C(NCCCN1CCN(C2CCCCC2)CC1)c1ccc(N2CCc3ccccc32)s1 ZINC000022937345 555990243 /nfs/dbraw/zinc/99/02/43/555990243.db2.gz YMFUOVITGPYAAE-UHFFFAOYSA-N 0 3 452.668 4.513 50 0 JJAAHN O=C(C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856082 556024243 /nfs/dbraw/zinc/02/42/43/556024243.db2.gz RWXGYKPZZJZULC-UHFFFAOYSA-N 0 3 483.656 4.822 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023449851 556064744 /nfs/dbraw/zinc/06/47/44/556064744.db2.gz QWGJFIICJJTHIP-QHCPKHFHSA-N 0 3 473.617 4.887 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012944966 556157142 /nfs/dbraw/zinc/15/71/42/556157142.db2.gz YKQMWODXLLUWKA-UHFFFAOYSA-N 0 3 450.586 4.993 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000018007487 556275623 /nfs/dbraw/zinc/27/56/23/556275623.db2.gz XTRQVPHRWLJOLA-PFBJBMPXSA-N 0 3 480.520 4.908 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000018043869 556279373 /nfs/dbraw/zinc/27/93/73/556279373.db2.gz MOLRWMHDRADDEH-BDTNDASRSA-N 0 3 497.320 4.648 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1Br ZINC000018144684 556294015 /nfs/dbraw/zinc/29/40/15/556294015.db2.gz WUMVUHCFLQCRAE-BDTNDASRSA-N 0 3 497.320 4.648 50 0 JJAAHN c1c(CNCc2ccccc2CN2CCOCC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000013118089 556330879 /nfs/dbraw/zinc/33/08/79/556330879.db2.gz GNHKKDLRBQWYKM-UHFFFAOYSA-N 0 3 452.602 4.720 50 0 JJAAHN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000032622853 556452727 /nfs/dbraw/zinc/45/27/27/556452727.db2.gz AONTWWBQTYIOMS-QHCPKHFHSA-N 0 3 484.980 4.741 50 0 JJAAHN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000032721461 556474952 /nfs/dbraw/zinc/47/49/52/556474952.db2.gz HCFGOBGSMZIVRR-JOCHJYFZSA-N 0 3 478.618 4.697 50 0 JJAAHN COc1cc(CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C2CC2)ccc1OC(F)F ZINC000032933006 556548216 /nfs/dbraw/zinc/54/82/16/556548216.db2.gz CKMGFEIGFXNQSY-UHFFFAOYSA-N 0 3 459.537 4.635 50 0 JJAAHN CCCc1ccc(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000008431546 569589596 /nfs/dbraw/zinc/58/95/96/569589596.db2.gz BSIRHHAHRSVQCP-XMMPIXPASA-N 0 3 486.612 4.540 50 0 JJAAHN Cc1nnc(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1-c1ccccc1 ZINC000057270696 569595160 /nfs/dbraw/zinc/59/51/60/569595160.db2.gz SIRBZFCYPJBMQB-UHFFFAOYSA-N 0 3 498.656 4.629 50 0 JJAAHN O=C(COCc1nc2ccccc2s1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057270685 569595190 /nfs/dbraw/zinc/59/51/90/569595190.db2.gz MDQQCDHFOXPWEG-UHFFFAOYSA-N 0 3 472.614 4.774 50 0 JJAAHN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057318502 569598530 /nfs/dbraw/zinc/59/85/30/569598530.db2.gz KPLWDYIVIWWSHC-VWLOTQADSA-N 0 3 460.647 4.846 50 0 JJAAHN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000062733076 569614640 /nfs/dbraw/zinc/61/46/40/569614640.db2.gz UZAQIOKFBRZTCE-UHFFFAOYSA-N 0 3 485.563 4.769 50 0 JJAAHN COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000034679652 569642704 /nfs/dbraw/zinc/64/27/04/569642704.db2.gz AMQLMEYSLVHMSI-UHFFFAOYSA-N 0 3 485.628 4.687 50 0 JJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccc(C)cc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698437 569647772 /nfs/dbraw/zinc/64/77/72/569647772.db2.gz AFEZCAAHRZMFLY-SVEHJYQDSA-N 0 3 487.619 4.821 50 0 JJAAHN O=C(CC1CCCC1)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698378 569647804 /nfs/dbraw/zinc/64/78/04/569647804.db2.gz LNWPODKRODJBLZ-WNCULLNHSA-N 0 3 467.604 4.909 50 0 JJAAHN O=C(CC1CCCC1)N1C[C@@H](c2cccc(F)c2)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034698377 569647815 /nfs/dbraw/zinc/64/78/15/569647815.db2.gz LNWPODKRODJBLZ-HOFKKMOUSA-N 0 3 467.604 4.909 50 0 JJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698435 569647853 /nfs/dbraw/zinc/64/78/53/569647853.db2.gz LEHPGKBDUYXZKL-YWEHKCAJSA-N 0 3 473.592 4.512 50 0 JJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698436 569647872 /nfs/dbraw/zinc/64/78/72/569647872.db2.gz LEHPGKBDUYXZKL-CUBQBAPOSA-N 0 3 473.592 4.512 50 0 JJAAHN COc1ccccc1[C@H]1CN(Cc2cccn2C)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699231 569648520 /nfs/dbraw/zinc/64/85/20/569648520.db2.gz WSLXXLUDWZREKZ-SQHAQQRYSA-N 0 3 459.634 4.934 50 0 JJAAHN CCCCOc1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000065060044 569655117 /nfs/dbraw/zinc/65/51/17/569655117.db2.gz GNMHMDWIULOOQU-UHFFFAOYSA-N 0 3 463.622 4.894 50 0 JJAAHN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034830029 569663534 /nfs/dbraw/zinc/66/35/34/569663534.db2.gz SOJLYDRIXLJTLE-MUUNZHRXSA-N 0 3 487.669 4.633 50 0 JJAAHN CCN1CCN(c2c(CN(Cc3ccncc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836371 569665379 /nfs/dbraw/zinc/66/53/79/569665379.db2.gz LPIQQEURYTVVGP-UHFFFAOYSA-N 0 3 464.633 4.515 50 0 JJAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CC)Cc1ccc(O)cc1 ZINC000034836594 569665516 /nfs/dbraw/zinc/66/55/16/569665516.db2.gz NNGIMQZUDJNCLN-UHFFFAOYSA-N 0 3 479.644 4.834 50 0 JJAAHN CCCCn1c2ccccc2nc1N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000034909987 569671430 /nfs/dbraw/zinc/67/14/30/569671430.db2.gz WHBIXUDAUDJJHD-UHFFFAOYSA-N 0 3 473.665 4.834 50 0 JJAAHN C[C@@H]1CN(CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@@H](C)O1 ZINC000065606742 569676361 /nfs/dbraw/zinc/67/63/61/569676361.db2.gz QIQAHTDQJPACTQ-WOJBJXKFSA-N 0 3 455.574 4.758 50 0 JJAAHN CN(CC[C@H]1CCCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000067726436 569690895 /nfs/dbraw/zinc/69/08/95/569690895.db2.gz NVPWLQKNSKYGLK-RUZDIDTESA-N 0 3 450.623 4.804 50 0 JJAAHN CCN(CC)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)(C)C)cc1 ZINC000035671286 569706104 /nfs/dbraw/zinc/70/61/04/569706104.db2.gz PCKYWVAUECIDBR-QGZVFWFLSA-N 0 3 470.664 4.883 50 0 JJAAHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000078718300 569706406 /nfs/dbraw/zinc/70/64/06/569706406.db2.gz DSYAOLSAEKBHNK-LJQANCHMSA-N 0 3 469.630 4.764 50 0 JJAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](Cc3ccccc3)N[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035808738 569712135 /nfs/dbraw/zinc/71/21/35/569712135.db2.gz NRKJPEUBGHBDRE-JNMBUGSCSA-N 0 3 475.976 4.664 50 0 JJAAHN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)o1 ZINC000085653659 569714314 /nfs/dbraw/zinc/71/43/14/569714314.db2.gz NBHUPRZYOYGOLX-UHFFFAOYSA-N 0 3 462.525 4.881 50 0 JJAAHN O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871987 569719061 /nfs/dbraw/zinc/71/90/61/569719061.db2.gz FGZPFPWWKCLIKZ-XUZZJYLKSA-N 0 3 475.530 4.766 50 0 JJAAHN CCn1cc([C@@H](CC(=O)NCCN2CCCCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872309 569719241 /nfs/dbraw/zinc/71/92/41/569719241.db2.gz HAQQGHHJCVGWFF-VWLOTQADSA-N 0 3 463.622 4.803 50 0 JJAAHN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908082 569723737 /nfs/dbraw/zinc/72/37/37/569723737.db2.gz BFKXPQQAJYTDHD-LADGPHEKSA-N 0 3 475.530 4.766 50 0 JJAAHN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN[C@@H](CO)Cc1ccccc1 ZINC000095473730 569723989 /nfs/dbraw/zinc/72/39/89/569723989.db2.gz WUQJPSSCORMYMZ-OAQYLSRUSA-N 0 3 454.526 4.911 50 0 JJAAHN Nc1c2c(nn1-c1ccc(C(F)(F)F)cc1)nc(NCCN1CCCC1)nc2-c1ccccc1 ZINC000035929592 569731395 /nfs/dbraw/zinc/73/13/95/569731395.db2.gz KYYQDGLWHHPIGU-UHFFFAOYSA-N 0 3 467.499 4.591 50 0 JJAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCCN1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035930036 569731541 /nfs/dbraw/zinc/73/15/41/569731541.db2.gz XSIMINOPEBPOBS-UHFFFAOYSA-N 0 3 465.964 4.755 50 0 JJAAHN C[C@@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)C[C@@H](C)N1 ZINC000096592311 569742045 /nfs/dbraw/zinc/74/20/45/569742045.db2.gz BGHPXZSKRHBIMS-ZIAGYGMSSA-N 0 3 458.791 4.808 50 0 JJAAHN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C2CCCCC2)c(OC)c1 ZINC000036343215 569766289 /nfs/dbraw/zinc/76/62/89/569766289.db2.gz NKCGNOWARORXHG-XMMPIXPASA-N 0 3 453.558 4.785 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000100933770 569776467 /nfs/dbraw/zinc/77/64/67/569776467.db2.gz DTCMDRMUZCKVQO-VSKRKVRLSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CCN1CCCC[C@H]1C)C3=O ZINC000037006510 569780985 /nfs/dbraw/zinc/78/09/85/569780985.db2.gz DFZWUBQPEXQPLL-PBBNMVCDSA-N 0 3 494.680 4.578 50 0 JJAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101180026 569786328 /nfs/dbraw/zinc/78/63/28/569786328.db2.gz ROGZTUDBUVLFII-SDHSZQHLSA-N 0 3 476.504 4.674 50 0 JJAAHN CCC[C@H](C(=O)NCCN1CCCC1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037396960 569786506 /nfs/dbraw/zinc/78/65/06/569786506.db2.gz DQTXYWWGHNOBQC-XMMPIXPASA-N 0 3 450.602 4.936 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101190027 569786607 /nfs/dbraw/zinc/78/66/07/569786607.db2.gz HTJTWHGBPTWKES-PCCBWWKXSA-N 0 3 456.395 4.896 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101268020 569788564 /nfs/dbraw/zinc/78/85/64/569788564.db2.gz OVBRODNAMZDVAL-WXFUMESZSA-N 0 3 478.932 4.717 50 0 JJAAHN CC[C@H](C(=O)NCCN(C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037438756 569790491 /nfs/dbraw/zinc/79/04/91/569790491.db2.gz FDDIUXTUCRPGGC-JOCHJYFZSA-N 0 3 456.587 4.552 50 0 JJAAHN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NCCN1CCCC1 ZINC000037547162 569794469 /nfs/dbraw/zinc/79/44/69/569794469.db2.gz YLGBXVSAMGUSSW-UHFFFAOYSA-N 0 3 450.558 4.565 50 0 JJAAHN Cc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCCN2CCCC2)c1 ZINC000037600818 569797070 /nfs/dbraw/zinc/79/70/70/569797070.db2.gz HQPDHYYNSKCUSI-UHFFFAOYSA-N 0 3 455.602 4.597 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccsc1)Sc1ccccc1-2 ZINC000039358026 569809480 /nfs/dbraw/zinc/80/94/80/569809480.db2.gz CBMZHJDZUYEJHJ-NTKDMRAZSA-N 0 3 479.671 4.811 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102717436 569817207 /nfs/dbraw/zinc/81/72/07/569817207.db2.gz DSKQGJXZLGUQBV-PCCBWWKXSA-N 0 3 467.294 4.639 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1 ZINC000102721598 569817384 /nfs/dbraw/zinc/81/73/84/569817384.db2.gz ODNYNGYVSPLJMG-JIMJEQGWSA-N 0 3 450.494 4.900 50 0 JJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102739049 569818945 /nfs/dbraw/zinc/81/89/45/569818945.db2.gz BWJOUYSEFHXRDJ-TWJOJJKGSA-N 0 3 466.493 4.605 50 0 JJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCCC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102746836 569820190 /nfs/dbraw/zinc/82/01/90/569820190.db2.gz HOTRTGXIJZRNPS-RUZDIDTESA-N 0 3 496.677 4.550 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)C2ON1c1ccccc1 ZINC000102759032 569821601 /nfs/dbraw/zinc/82/16/01/569821601.db2.gz AIBHKCYLLCQTEJ-DNVJHFABSA-N 0 3 493.357 4.817 50 0 JJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355918 569823978 /nfs/dbraw/zinc/82/39/78/569823978.db2.gz JBGWYLWOCXOQKZ-UHFFFAOYSA-N 0 3 488.535 4.809 50 0 JJAAHN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(C[C@@H](O)Cc4ccccc4)CC3)nc2)cc1 ZINC000105032368 569851438 /nfs/dbraw/zinc/85/14/38/569851438.db2.gz KDGZQBGISBPHMU-MHZLTWQESA-N 0 3 486.660 4.747 50 0 JJAAHN 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483.656 4.841 50 0 JJAAHN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CNC(C)C)cc1OCC ZINC000009033709 554867962 /nfs/dbraw/zinc/86/79/62/554867962.db2.gz ROEVESWSJVWGHK-DEOSSOPVSA-N 0 3 498.664 4.948 50 0 biogenic JJAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2)CC1 ZINC000009111492 554898746 /nfs/dbraw/zinc/89/87/46/554898746.db2.gz LGUNYBGNKHOCNT-UHFFFAOYSA-N 0 3 453.542 4.854 50 0 JJAAHN CN(CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1)Cc1ccccc1 ZINC000009115586 554902401 /nfs/dbraw/zinc/90/24/01/554902401.db2.gz QLFGIQFTGITXLP-PMERELPUSA-N 0 3 489.435 4.602 50 0 JJAAHN CN(C)[C@@H](CNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009119972 554912107 /nfs/dbraw/zinc/91/21/07/554912107.db2.gz RFCBYLFDHUHVOA-QFIPXVFZSA-N 0 3 451.567 4.589 50 0 JJAAHN O=C(NCCN1CCCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000009151298 554938186 /nfs/dbraw/zinc/93/81/86/554938186.db2.gz FWGUGEBKIOQTOD-UHFFFAOYSA-N 0 3 489.620 4.737 50 0 JJAAHN 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C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009377059 555138303 /nfs/dbraw/zinc/13/83/03/555138303.db2.gz PNEAYPFFWBGROO-UZUQRXQVSA-N 0 3 476.042 4.583 50 0 JJAAHN CN1C(=O)c2ccccc2[C@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432483 555201595 /nfs/dbraw/zinc/20/15/95/555201595.db2.gz FHLQTCVWDSLCOU-LOSJGSFVSA-N 0 3 477.630 4.813 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009500385 555285094 /nfs/dbraw/zinc/28/50/94/555285094.db2.gz JBIMHYZVXXZPDS-NJDAHSKKSA-N 0 3 456.395 4.896 50 0 JJAAHN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009687814 555415504 /nfs/dbraw/zinc/41/55/04/555415504.db2.gz XIDQZINXRFSJTB-UHFFFAOYSA-N 0 3 486.641 4.754 50 0 JJAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2c1CCCC2 ZINC000009747135 555478984 /nfs/dbraw/zinc/47/89/84/555478984.db2.gz UUHXFUXLYQKJTM-UHFFFAOYSA-N 0 3 483.465 4.502 50 0 JJAAHN COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000019890030 555529567 /nfs/dbraw/zinc/52/95/67/555529567.db2.gz YYPHLVOICVDCFI-QFIPXVFZSA-N 0 3 471.582 4.745 50 0 JJAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1Cl ZINC000019954211 555570015 /nfs/dbraw/zinc/57/00/15/555570015.db2.gz UVNUMQHFSPYFSH-SQHAQQRYSA-N 0 3 478.036 4.788 50 0 JJAAHN O=C(CC1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019961999 555573038 /nfs/dbraw/zinc/57/30/38/555573038.db2.gz KGBZMDUPVFQGNX-FQEVSTJZSA-N 0 3 474.904 4.535 50 0 JJAAHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000019962082 555573439 /nfs/dbraw/zinc/57/34/39/555573439.db2.gz IAYVNLYBEFGAJM-JOCHJYFZSA-N 0 3 472.545 4.615 50 0 JJAAHN CN(CCCNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)Cc1ccccc1 ZINC000010013253 555594210 /nfs/dbraw/zinc/59/42/10/555594210.db2.gz IBBHKXZSSAEKIE-UHFFFAOYSA-N 0 3 461.512 4.521 50 0 JJAAHN Cc1cccc(N2CCN(CCCNc3ncnc4onc(-c5ccc(F)cc5)c43)C[C@H]2C)c1 ZINC000013809683 555624093 /nfs/dbraw/zinc/62/40/93/555624093.db2.gz JBWBKFUPVIDELA-LJQANCHMSA-N 0 3 460.557 4.745 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013811372 555627793 /nfs/dbraw/zinc/62/77/93/555627793.db2.gz YZYFGUQOTPCHLL-NJDAHSKKSA-N 0 3 456.395 4.896 50 0 JJAAHN CCc1ccc([C@@H](CNC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)N(C)C)cc1 ZINC000010139279 555636094 /nfs/dbraw/zinc/63/60/94/555636094.db2.gz JNQVXIYGKDHWHZ-JOCHJYFZSA-N 0 3 465.667 4.506 50 0 JJAAHN CCN1CCN(CCCNC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)CC1 ZINC000020104780 555637414 /nfs/dbraw/zinc/63/74/14/555637414.db2.gz QAQMCLUDRDVJNF-UHFFFAOYSA-N 0 3 466.029 4.698 50 0 JJAAHN COc1ccccc1CN1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013894235 555641912 /nfs/dbraw/zinc/64/19/12/555641912.db2.gz TWRNEJFEPSEJTR-UHFFFAOYSA-N 0 3 483.656 4.841 50 0 JJAAHN Cc1ccc(C(=O)N2N[C@H](c3ccc(C)cc3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)C32)cc1 ZINC000020116547 555653965 /nfs/dbraw/zinc/65/39/65/555653965.db2.gz PVFTYTQASHNRCW-ZRBLBEILSA-N 0 3 494.378 4.870 50 0 JJAAHN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000014141852 555706958 /nfs/dbraw/zinc/70/69/58/555706958.db2.gz AZKWHTCVJGXYNZ-AREMUKBSSA-N 0 3 454.574 4.640 50 0 JJAAHN O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000020264822 555747271 /nfs/dbraw/zinc/74/72/71/555747271.db2.gz UJCCXVCJUHOQMS-QFIPXVFZSA-N 0 3 478.434 4.736 50 0 JJAAHN CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000011093892 555759204 /nfs/dbraw/zinc/75/92/04/555759204.db2.gz AXXUVBBSFCXUBR-RBZFPXEDSA-N 0 3 451.336 4.673 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000011582558 555788538 /nfs/dbraw/zinc/78/85/38/555788538.db2.gz IPPSRKGTQIMDNV-VSKRKVRLSA-N 0 3 479.330 4.509 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000011666522 555797271 /nfs/dbraw/zinc/79/72/71/555797271.db2.gz MYICIAJQICEUGR-QHAWAJNXSA-N 0 3 456.395 4.896 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020532315 555801661 /nfs/dbraw/zinc/80/16/61/555801661.db2.gz TXRWABXMOUOSHS-XMMPIXPASA-N 0 3 485.657 4.986 50 0 JJAAHN COc1ccc([C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000020560706 555811317 /nfs/dbraw/zinc/81/13/17/555811317.db2.gz KFUXEDAEMFTPIY-NDEPHWFRSA-N 0 3 483.612 4.563 50 0 JJAAHN Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)cc1C ZINC000014531901 555819290 /nfs/dbraw/zinc/81/92/90/555819290.db2.gz WQKIJGXOHPZJKY-UHFFFAOYSA-N 0 3 482.628 4.740 50 0 JJAAHN O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000011815210 555830234 /nfs/dbraw/zinc/83/02/34/555830234.db2.gz LREWQXZWMDBFGX-VWLOTQADSA-N 0 3 469.629 4.758 50 0 JJAAHN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4cc5ccccc5o4)CC3)C2=O)cc1 ZINC000014542992 555833972 /nfs/dbraw/zinc/83/39/72/555833972.db2.gz DGOMNSDSMVZQRV-UHFFFAOYSA-N 0 3 475.589 4.896 50 0 JJAAHN Cc1cc(Cl)ccc1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000011847503 555835202 /nfs/dbraw/zinc/83/52/02/555835202.db2.gz BUMQYQRREJGPTD-JOCHJYFZSA-N 0 3 493.003 4.550 50 0 JJAAHN Cc1occc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020600094 555841280 /nfs/dbraw/zinc/84/12/80/555841280.db2.gz GSFBGQZHAFTZCD-HXUWFJFHSA-N 0 3 469.589 4.704 50 0 JJAAHN CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000020602014 555842550 /nfs/dbraw/zinc/84/25/50/555842550.db2.gz YZPDUODANROFJA-UHFFFAOYSA-N 0 3 455.624 4.950 50 0 JJAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020904400 555848756 /nfs/dbraw/zinc/84/87/56/555848756.db2.gz IXLVEQSAEAXYGF-WDJPJFJCSA-N 0 3 453.652 4.675 50 0 JJAAHN Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccc(F)cc2F)C4)cs1 ZINC000015004565 555849423 /nfs/dbraw/zinc/84/94/23/555849423.db2.gz ZHIJBSHSMYNHFS-MLGOLLRUSA-N 0 3 472.586 4.758 50 0 JJAAHN Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccc(F)cc2F)C4)cs1 ZINC000015004559 555849545 /nfs/dbraw/zinc/84/95/45/555849545.db2.gz ZHIJBSHSMYNHFS-LRDDRELGSA-N 0 3 472.586 4.758 50 0 JJAAHN Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)N(CC3CCCCC3)C2)n1 ZINC000011965951 555871886 /nfs/dbraw/zinc/87/18/86/555871886.db2.gz CZVQSZYRXMYSKI-ZEQRLZLVSA-N 0 3 470.658 4.707 50 0 JJAAHN Cc1ccc2nc(C)cc(C(=O)NC[C@H]3CCC4(CCN(Cc5ccccc5F)CC4)O3)c2c1 ZINC000011973112 555874553 /nfs/dbraw/zinc/87/45/53/555874553.db2.gz QKKIEHVZSRNHOH-JOCHJYFZSA-N 0 3 461.581 4.934 50 0 JJAAHN O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000011983025 555877146 /nfs/dbraw/zinc/87/71/46/555877146.db2.gz SYROCASWWADRBJ-MHZLTWQESA-N 0 3 455.602 4.637 50 0 JJAAHN CCn1nc(C)c(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c1C ZINC000011999212 555881912 /nfs/dbraw/zinc/88/19/12/555881912.db2.gz ZIKXBVLCWHNNRD-RPBOFIJWSA-N 0 3 478.662 4.615 50 0 JJAAHN CC(=O)Nc1ccc(CN2CCC3(C[C@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012004666 555883520 /nfs/dbraw/zinc/88/35/20/555883520.db2.gz NNSGTUSDURZEGU-QFIPXVFZSA-N 0 3 459.512 4.582 50 0 JJAAHN OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(Cc2cccc(C(F)(F)F)c2)CCO3)CC1 ZINC000012024520 555885655 /nfs/dbraw/zinc/88/56/55/555885655.db2.gz MQNZEQNNBNPFIM-UHFFFAOYSA-N 0 3 497.561 4.979 50 0 JJAAHN CCCCN(C)C(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@H](C)C1 ZINC000012036110 555889195 /nfs/dbraw/zinc/88/91/95/555889195.db2.gz CIZIGGXXQOFIOO-FQEVSTJZSA-N 0 3 452.595 4.952 50 0 JJAAHN COc1cc(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc(OC)c1 ZINC000012036571 555889515 /nfs/dbraw/zinc/88/95/15/555889515.db2.gz YZWCLRSYCYVLOJ-SANMLTNESA-N 0 3 462.634 4.934 50 0 JJAAHN COc1cc(Cl)c(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1OC ZINC000012042482 555894858 /nfs/dbraw/zinc/89/48/58/555894858.db2.gz JCFNZRFRUDXPHJ-SFHVURJKSA-N 0 3 477.074 4.715 50 0 JJAAHN CCOc1cc(CN2CCC3(C[C@@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)ccc1OC ZINC000012129081 555910944 /nfs/dbraw/zinc/91/09/44/555910944.db2.gz SPIKRYZWSCQMHO-LJQANCHMSA-N 0 3 458.986 4.997 50 0 JJAAHN CCN(CC)CCN(C(=O)c1ccc(Br)s1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140884 555920139 /nfs/dbraw/zinc/92/01/39/555920139.db2.gz BYTYKICBZCIQKI-UHFFFAOYSA-N 0 3 496.452 4.880 50 0 JJAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1 ZINC000012150642 555922829 /nfs/dbraw/zinc/92/28/29/555922829.db2.gz LEYVXOBTINIDMF-UHFFFAOYSA-N 0 3 459.512 4.670 50 0 JJAAHN Cc1ccc(-n2ncc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000015681282 555950283 /nfs/dbraw/zinc/95/02/83/555950283.db2.gz KLMRUHLWKWNOIV-UHFFFAOYSA-N 0 3 467.617 4.656 50 0 JJAAHN O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374924 555961850 /nfs/dbraw/zinc/96/18/50/555961850.db2.gz DGAPBPNCAPQCNK-UHFFFAOYSA-N 0 3 499.537 4.735 50 0 JJAAHN C[C@@H]1CN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1 ZINC000012436521 555979817 /nfs/dbraw/zinc/97/98/17/555979817.db2.gz JYYUZJCGIJKDKE-JKIFEVAISA-N 0 3 496.243 4.790 50 0 JJAAHN COc1ccc(-c2nc(CSCC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)o2)cc1OC ZINC000015879172 556051487 /nfs/dbraw/zinc/05/14/87/556051487.db2.gz ALOPWXGTCHNKJX-UHFFFAOYSA-N 0 3 495.645 4.681 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018116251 556289684 /nfs/dbraw/zinc/28/96/84/556289684.db2.gz OVBRODNAMZDVAL-SMIHKQSGSA-N 0 3 478.932 4.717 50 0 JJAAHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018159373 556296225 /nfs/dbraw/zinc/29/62/25/556296225.db2.gz IPPSRKGTQIMDNV-FSSWDIPSSA-N 0 3 479.330 4.509 50 0 JJAAHN COc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCCC2)cc1 ZINC000027580477 556300160 /nfs/dbraw/zinc/30/01/60/556300160.db2.gz PRFABDABBIKQGD-JOCHJYFZSA-N 0 3 461.400 4.570 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cc2C)CC1 ZINC000013114481 556319423 /nfs/dbraw/zinc/31/94/23/556319423.db2.gz KZBACOTVDVRNEL-MHZLTWQESA-N 0 3 469.585 4.843 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(OCc4csc(C)n4)c3)c(C)c2)CC1 ZINC000029376473 556351337 /nfs/dbraw/zinc/35/13/37/556351337.db2.gz URLJAQDYUNRXED-UHFFFAOYSA-N 0 3 450.608 4.733 50 0 JJAAHN Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCN(C5CCCCC5)CC4)cc3)n2)cc1 ZINC000032579141 556446430 /nfs/dbraw/zinc/44/64/30/556446430.db2.gz MQZUAIQPTYXLPA-UHFFFAOYSA-N 0 3 460.578 4.568 50 0 JJAAHN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)cc1 ZINC000032622390 556452039 /nfs/dbraw/zinc/45/20/39/556452039.db2.gz TXQDHJKMFAYTMZ-NRFANRHFSA-N 0 3 454.368 4.979 50 0 JJAAHN CCCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000032623556 556453373 /nfs/dbraw/zinc/45/33/73/556453373.db2.gz LQQGDUBGYXSMEX-JOCHJYFZSA-N 0 3 454.954 4.732 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c(C)c2)CC1 ZINC000032719534 556474299 /nfs/dbraw/zinc/47/42/99/556474299.db2.gz FZFDSTFXLWTNHB-HHHXNRCGSA-N 0 3 469.585 4.843 50 0 JJAAHN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000008590335 562942654 /nfs/dbraw/zinc/94/26/54/562942654.db2.gz VNOWHXSTWFSUCH-IBGZPJMESA-N 0 3 478.501 4.932 50 0 JJAAHN COc1ccc(OC)c(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000008680399 562950856 /nfs/dbraw/zinc/95/08/56/562950856.db2.gz ZHPGEAXFYDMERE-UHFFFAOYSA-N 0 3 485.588 4.531 50 0 JJAAHN CCOc1ccccc1Oc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000059834433 569607821 /nfs/dbraw/zinc/60/78/21/569607821.db2.gz NHVMNAUTTFYEIT-UHFFFAOYSA-N 0 3 460.578 4.736 50 0 JJAAHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000062587396 569611976 /nfs/dbraw/zinc/61/19/76/569611976.db2.gz NGZZRTPCQBKUAP-UHFFFAOYSA-N 0 3 499.633 4.736 50 0 JJAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc(Cn4c5ccccc5nc(C)c4=O)cc3)CC2)cc1 ZINC000033005905 569614576 /nfs/dbraw/zinc/61/45/76/569614576.db2.gz CQKKDUMSBUCPNM-UHFFFAOYSA-N 0 3 494.639 4.704 50 0 JJAAHN COc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1O ZINC000064746100 569625199 /nfs/dbraw/zinc/62/51/99/569625199.db2.gz BJNOFNZTPNXUEO-UHFFFAOYSA-N 0 3 496.681 4.981 50 0 JJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4cccs4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698422 569647824 /nfs/dbraw/zinc/64/78/24/569647824.db2.gz XTJTWXAKSUYQSS-SQJMNOBHSA-N 0 3 479.621 4.574 50 0 JJAAHN O=S(=O)(c1ccccc1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN2CCCCC2)C1 ZINC000034698685 569647870 /nfs/dbraw/zinc/64/78/70/569647870.db2.gz GUBZITOIJVFHPC-UGKGYDQZSA-N 0 3 452.542 4.596 50 0 JJAAHN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711150 569650743 /nfs/dbraw/zinc/65/07/43/569650743.db2.gz KVXBYQGFDCZYPW-FGZHOGPDSA-N 0 3 464.512 4.616 50 0 JJAAHN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3cc(C)c(C)o3)CC2)cc1OC ZINC000034729895 569653306 /nfs/dbraw/zinc/65/33/06/569653306.db2.gz FVJUUYBROQNCCP-UHFFFAOYSA-N 0 3 491.632 4.969 50 0 JJAAHN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034830028 569663686 /nfs/dbraw/zinc/66/36/86/569663686.db2.gz SOJLYDRIXLJTLE-NDEPHWFRSA-N 0 3 487.669 4.633 50 0 JJAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(O)cc1 ZINC000034836869 569666357 /nfs/dbraw/zinc/66/63/57/569666357.db2.gz HMZLXXFGZDGMEQ-UHFFFAOYSA-N 0 3 461.654 4.694 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035074254 569674194 /nfs/dbraw/zinc/67/41/94/569674194.db2.gz TWRMAQGRZFHYQW-ICLZECGLSA-N 0 3 474.969 4.964 50 0 JJAAHN C[C@@H]1CN(CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@H](C)O1 ZINC000065606735 569676257 /nfs/dbraw/zinc/67/62/57/569676257.db2.gz QIQAHTDQJPACTQ-BGYRXZFFSA-N 0 3 455.574 4.758 50 0 JJAAHN CCN1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)CC1 ZINC000035561571 569704496 /nfs/dbraw/zinc/70/44/96/569704496.db2.gz HLHMAMIYULDFQM-UHFFFAOYSA-N 0 3 479.068 4.719 50 0 JJAAHN C[C@@H](C(=O)NCCN(C)Cc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562084 569704633 /nfs/dbraw/zinc/70/46/33/569704633.db2.gz ZWEOJWZXYRSMEE-LJQANCHMSA-N 0 3 481.040 4.558 50 0 JJAAHN COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(C4CCCC4)C[C@H]23)c1 ZINC000035871984 569719024 /nfs/dbraw/zinc/71/90/24/569719024.db2.gz YPEURFYYLXTQCU-ISKFKSNPSA-N 0 3 473.539 4.958 50 0 JJAAHN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000035925696 569729074 /nfs/dbraw/zinc/72/90/74/569729074.db2.gz BIXZWZICVMRFIB-UHFFFAOYSA-N 0 3 458.585 4.865 50 0 JJAAHN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C2CCCCC2)c(OC)c1 ZINC000036343213 569766325 /nfs/dbraw/zinc/76/63/25/569766325.db2.gz NKCGNOWARORXHG-DEOSSOPVSA-N 0 3 453.558 4.785 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000100885301 569774208 /nfs/dbraw/zinc/77/42/08/569774208.db2.gz XGWGFGYXGUMXJS-ZRBLBEILSA-N 0 3 482.895 4.547 50 0 JJAAHN CCN1CCN(c2ccc(NC(=O)CN(CCc3cccs3)Cc3cccs3)cc2)CC1 ZINC000036386391 569774277 /nfs/dbraw/zinc/77/42/77/569774277.db2.gz ZKCLWQGYUYTGLG-UHFFFAOYSA-N 0 3 468.692 4.635 50 0 JJAAHN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CCN1CCCC[C@@H]1C)C3=O ZINC000037006512 569780993 /nfs/dbraw/zinc/78/09/93/569780993.db2.gz DFZWUBQPEXQPLL-LGGPFLRQSA-N 0 3 494.680 4.578 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000101190014 569786582 /nfs/dbraw/zinc/78/65/82/569786582.db2.gz NCVJUURNGMHNGL-RBZQAINGSA-N 0 3 460.555 4.858 50 0 JJAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000101190043 569786610 /nfs/dbraw/zinc/78/66/10/569786610.db2.gz FRWUBWTWOBDLHQ-BHIFYINESA-N 0 3 452.869 4.539 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101224899 569787558 /nfs/dbraw/zinc/78/75/58/569787558.db2.gz BVVWUAPNOGNLQI-ZRBLBEILSA-N 0 3 493.357 4.817 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101241072 569787907 /nfs/dbraw/zinc/78/79/07/569787907.db2.gz KCPNSCLXHOLDPK-BDTNDASRSA-N 0 3 479.330 4.509 50 0 JJAAHN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1cccc(CC(=O)NCCN2CCCC2)c1 ZINC000037600632 569796863 /nfs/dbraw/zinc/79/68/63/569796863.db2.gz YTASUPQXFSWWKF-WUKNDPDISA-N 0 3 467.613 4.688 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102692264 569815911 /nfs/dbraw/zinc/81/59/11/569815911.db2.gz JZDBCNWYNNNJMC-PCCBWWKXSA-N 0 3 467.294 4.639 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000102706869 569816526 /nfs/dbraw/zinc/81/65/26/569816526.db2.gz GFQWHWVNLBRFGB-PCCBWWKXSA-N 0 3 455.297 4.750 50 0 JJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102726165 569817710 /nfs/dbraw/zinc/81/77/10/569817710.db2.gz FXRVZIUSXVMWPB-YPAWHYETSA-N 0 3 485.323 4.759 50 0 JJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c1 ZINC000102728022 569817883 /nfs/dbraw/zinc/81/78/83/569817883.db2.gz PIXHGMNZUYLXTO-OYUWMTPXSA-N 0 3 480.520 4.908 50 0 JJAAHN CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000040157902 569821839 /nfs/dbraw/zinc/82/18/39/569821839.db2.gz VMRBFEVPGQPSCR-LPHOPBHVSA-N 0 3 461.400 4.764 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000102761370 569822068 /nfs/dbraw/zinc/82/20/68/569822068.db2.gz BGTOLEVKKWBDTR-BHDDXSALSA-N 0 3 468.431 4.945 50 0 JJAAHN CN1CCCN(C2=Nc3ccccc3Oc3ccc(NC(=O)Cc4ccc(F)cc4)cc32)CC1 ZINC000103362049 569834789 /nfs/dbraw/zinc/83/47/89/569834789.db2.gz KNOLPWOYAZVQSJ-UHFFFAOYSA-N 0 3 458.537 4.828 50 0 JJAAHN CC(C)[C@H](NCC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000049574720 569848840 /nfs/dbraw/zinc/84/88/40/569848840.db2.gz QLIVVOVTXFWNCE-IGKIAQTJSA-N 0 3 486.678 4.830 50 0 JJAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CCC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004054 569849627 /nfs/dbraw/zinc/84/96/27/569849627.db2.gz XHBHCFTYTJAZIQ-GMAHTHKFSA-N 0 3 458.668 4.599 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137767679 569865195 /nfs/dbraw/zinc/86/51/95/569865195.db2.gz QZXIZLNPZVLRRS-JIMJEQGWSA-N 0 3 450.494 4.900 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000137767679 569865196 /nfs/dbraw/zinc/86/51/96/569865196.db2.gz QZXIZLNPZVLRRS-JIMJEQGWSA-N 0 3 450.494 4.900 50 0 JJAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000137833032 569865372 /nfs/dbraw/zinc/86/53/72/569865372.db2.gz ZBBNWERRMZMRTL-BHDDXSALSA-N 0 3 463.331 4.809 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000137912726 569865489 /nfs/dbraw/zinc/86/54/89/569865489.db2.gz BGTOLEVKKWBDTR-FDFHNCONSA-N 0 3 468.431 4.945 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000143604589 569867668 /nfs/dbraw/zinc/86/76/68/569867668.db2.gz YRLAJCYNFMQPET-YTFSRNRJSA-N 0 3 493.357 4.817 50 0 JJAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)CC ZINC000169680262 569870385 /nfs/dbraw/zinc/87/03/85/569870385.db2.gz DBNWJYYACMNNQO-LEDOBFOHSA-N 0 3 462.631 4.511 50 0 JJAAHN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169681927 569870939 /nfs/dbraw/zinc/87/09/39/569870939.db2.gz BFKXPQQAJYTDHD-UPVQGACJSA-N 0 3 475.530 4.766 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)C2ON1c1ccccc1 ZINC000226828240 570038825 /nfs/dbraw/zinc/03/88/25/570038825.db2.gz ZYUISDLOMKBHPH-YTFSRNRJSA-N 0 3 493.357 4.817 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226838770 570038922 /nfs/dbraw/zinc/03/89/22/570038922.db2.gz GTXSJEFBMPBIQJ-FQJHJXCSSA-N 0 3 468.940 4.902 50 0 JJAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000229967555 570042786 /nfs/dbraw/zinc/04/27/86/570042786.db2.gz NYMXESZBJXQADW-YTFSRNRJSA-N 0 3 490.581 4.901 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000230032695 570043713 /nfs/dbraw/zinc/04/37/13/570043713.db2.gz AGYOFJYQOBMALH-BHDDXSALSA-N 0 3 481.321 4.948 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2C)c(OC)c1 ZINC000238923556 570047793 /nfs/dbraw/zinc/04/77/93/570047793.db2.gz OUCXTBPREUSLHD-VXNXHJTFSA-N 0 3 478.932 4.717 50 0 JJAAHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)C[C@H]2C)CC1 ZINC000240122400 570052931 /nfs/dbraw/zinc/05/29/31/570052931.db2.gz VYJZTUUHWKPPHK-LJQANCHMSA-N 0 3 460.544 4.533 50 0 JJAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2C=Cc1ccccc1 ZINC000245238278 570057464 /nfs/dbraw/zinc/05/74/64/570057464.db2.gz IOHXZAQEYNFZBB-WHVIEJHBSA-N 0 3 475.342 4.841 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](C=Cc3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000245238278 570057465 /nfs/dbraw/zinc/05/74/65/570057465.db2.gz IOHXZAQEYNFZBB-WHVIEJHBSA-N 0 3 475.342 4.841 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCC)cc4)[C@H]3C2=O)cc1 ZINC000245312010 570063741 /nfs/dbraw/zinc/06/37/41/570063741.db2.gz RSUPTSRMDPGAAO-TWJOJJKGSA-N 0 3 472.541 4.925 50 0 JJAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245313063 570063915 /nfs/dbraw/zinc/06/39/15/570063915.db2.gz ZKNBHWFVWAVUHP-AQWTWLKTSA-N 0 3 466.512 4.696 50 0 JJAAHN CC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327085 570065135 /nfs/dbraw/zinc/06/51/35/570065135.db2.gz ISENYQZDMULMJQ-DENIHFKCSA-N 0 3 465.059 4.635 50 0 JJAAHN CC[C@@H](O)CN(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245330429 570066831 /nfs/dbraw/zinc/06/68/31/570066831.db2.gz YLXDLMZVCJHGDX-ISKFKSNPSA-N 0 3 472.695 4.989 50 0 JJAAHN CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 ZINC000249857461 570078866 /nfs/dbraw/zinc/07/88/66/570078866.db2.gz MJSHVHLADKXCML-RQNOJGIXSA-N 0 3 476.669 4.534 50 0 in-vitro JJAAHN COc1ccc2cc(CN(CCN(C)C)C(=O)c3cncs3)c(-c3cccs3)nc2c1 ZINC000299765129 570175068 /nfs/dbraw/zinc/17/50/68/570175068.db2.gz WOLYJGKCDLDUNO-UHFFFAOYSA-N 0 3 452.605 4.632 50 0 JJAAHN CCN(CC)CCOC(=O)c1oc2c(cc(Br)c(OC)c2Br)c1C ZINC000002008646 194156278 /nfs/dbraw/zinc/15/62/78/194156278.db2.gz WBZNPGMWRPBCQZ-UHFFFAOYSA-N 0 3 463.166 4.773 50 0 JJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1 ZINC000002967906 194185709 /nfs/dbraw/zinc/18/57/09/194185709.db2.gz QFWRTIPJYXVOOA-FQEVSTJZSA-N 0 3 478.961 4.531 50 0 JJAAHN O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000003821115 194361861 /nfs/dbraw/zinc/36/18/61/194361861.db2.gz ODZUETXEDAFLSP-UHFFFAOYSA-N 0 3 497.614 4.989 50 0 JJAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000009159654 194576001 /nfs/dbraw/zinc/57/60/01/194576001.db2.gz JIMYPYOHEOXMPK-HSZRJFAPSA-N 0 3 487.523 4.975 50 0 JJAAHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012812750 195145316 /nfs/dbraw/zinc/14/53/16/195145316.db2.gz LHRMHAUVXDSDBH-SANMLTNESA-N 0 3 462.594 4.884 50 0 JJAAHN CN(CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)CCc1ccccc1 ZINC000020728592 195208955 /nfs/dbraw/zinc/20/89/55/195208955.db2.gz YLCXMCZIONKLSV-NCELDCMTSA-N 0 3 457.599 4.676 50 0 JJAAHN COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCCN5CCCC[C@H]35)CO4)c2=O)cc1 ZINC000020761369 195217839 /nfs/dbraw/zinc/21/78/39/195217839.db2.gz XPTWAYCLCYQFRO-NBGIEHNGSA-N 0 3 460.574 4.885 50 0 biogenic JJAAHN COc1ccc(OC)c(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCCN3CCCC[C@H]23)CO4)c1 ZINC000020761072 195217891 /nfs/dbraw/zinc/21/78/91/195217891.db2.gz RFHPIVVDFZNQKA-NBGIEHNGSA-N 0 3 490.600 4.894 50 0 biogenic JJAAHN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCCN1CCCCC1)C3=O ZINC000020903212 195242878 /nfs/dbraw/zinc/24/28/78/195242878.db2.gz XJZRVAPPCXTCLO-GDLZYMKVSA-N 0 3 494.680 4.579 50 0 JJAAHN C[C@@H]1CCCCN1CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903415 195243350 /nfs/dbraw/zinc/24/33/50/195243350.db2.gz CZLFGPGOHKLNOZ-MNNSJKJDSA-N 0 3 478.681 4.959 50 0 JJAAHN CC[C@@H](C)N(CCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1)Cc1cccs1 ZINC000020919614 195247052 /nfs/dbraw/zinc/24/70/52/195247052.db2.gz XBLMAVRBTWSZMV-QGZVFWFLSA-N 0 3 473.664 4.712 50 0 JJAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000020861818 195233548 /nfs/dbraw/zinc/23/35/48/195233548.db2.gz SKVKAMZWQCZCPT-RUZDIDTESA-N 0 3 473.665 4.518 50 0 JJAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000020943338 195256347 /nfs/dbraw/zinc/25/63/47/195256347.db2.gz IMCNUUHQSPFLRR-UHFFFAOYSA-N 0 3 453.590 4.740 50 0 JJAAHN Cc1ccc(CN2CC[C@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)C2)cc1 ZINC000020990103 195262200 /nfs/dbraw/zinc/26/22/00/195262200.db2.gz CABXBAYZBALCFC-OAQYLSRUSA-N 0 3 493.673 4.740 50 0 JJAAHN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000020994624 195263450 /nfs/dbraw/zinc/26/34/50/195263450.db2.gz CDDJAIOACBTRMX-HHHXNRCGSA-N 0 3 452.558 4.719 50 0 JJAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)cc3ccccc32)cc1 ZINC000021116168 195278464 /nfs/dbraw/zinc/27/84/64/195278464.db2.gz LTUFOQRJEGFLRG-UHFFFAOYSA-N 0 3 487.644 4.576 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021364817 195299897 /nfs/dbraw/zinc/29/98/97/195299897.db2.gz ZELVVVJQCZCSFK-NDEPHWFRSA-N 0 3 482.669 4.924 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526010 195304644 /nfs/dbraw/zinc/30/46/44/195304644.db2.gz ZXQHCCHVALDCJX-AREMUKBSSA-N 0 3 472.699 4.878 50 0 JJAAHN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCN(CC)CC)C3=O)s1 ZINC000021526022 195304951 /nfs/dbraw/zinc/30/49/51/195304951.db2.gz NJOKKZLYXOFOEK-SANMLTNESA-N 0 3 472.699 4.661 50 0 JJAAHN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000021530377 195308531 /nfs/dbraw/zinc/30/85/31/195308531.db2.gz KZIFZRRTJGMGSN-MHZLTWQESA-N 0 3 471.576 4.694 50 0 JJAAHN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000021530498 195308626 /nfs/dbraw/zinc/30/86/26/195308626.db2.gz ICQFAIZFNIOJPK-XMMPIXPASA-N 0 3 459.615 4.616 50 0 JJAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934203 195335985 /nfs/dbraw/zinc/33/59/85/195335985.db2.gz BJXWMTTYCOSDFA-UHFFFAOYSA-N 0 3 450.586 4.981 50 0 JJAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160794 195368928 /nfs/dbraw/zinc/36/89/28/195368928.db2.gz UTUGWPSKTQMAEX-WOJBJXKFSA-N 0 3 465.619 4.590 50 0 JJAAHN O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058170277 195370667 /nfs/dbraw/zinc/37/06/67/195370667.db2.gz LPLZMMSQRQAFMR-UHFFFAOYSA-N 0 3 469.614 4.709 50 0 JJAAHN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000058217465 195373829 /nfs/dbraw/zinc/37/38/29/195373829.db2.gz JVZRARCVOJHXPK-UMTXDNHDSA-N 0 3 465.638 4.586 50 0 JJAAHN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)n2)cc1 ZINC000062733102 195430302 /nfs/dbraw/zinc/43/03/02/195430302.db2.gz NCNYDEKKWMBOPX-UHFFFAOYSA-N 0 3 481.600 4.939 50 0 JJAAHN COc1cc(CN2CCC(c3nc(C)ccc3C(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000096280768 130026340 /nfs/dbraw/zinc/02/63/40/130026340.db2.gz 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O=C1N(Cc2cccnc2)C(=O)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)N1CCc1ccccc1 ZINC000014539570 555829337 /nfs/dbraw/zinc/82/93/37/555829337.db2.gz RQAAFXZTJJJBEN-UHFFFAOYSA-N 0 3 493.611 4.605 50 0 JJAAHN C[C@@H]1C[C@H](OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000011847318 555834795 /nfs/dbraw/zinc/83/47/95/555834795.db2.gz QNYKNOXEGLLUAM-QDSKXPNFSA-N 0 3 492.660 4.740 50 0 JJAAHN Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)cc(F)c2)C4)cs1 ZINC000015002352 555847547 /nfs/dbraw/zinc/84/75/47/555847547.db2.gz XSOBRMXMUVHVQM-SJCJKPOMSA-N 0 3 472.586 4.758 50 0 JJAAHN COC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000011909125 555856381 /nfs/dbraw/zinc/85/63/81/555856381.db2.gz DAQSHRMTSUMRCV-XUZZJYLKSA-N 0 3 487.040 4.559 50 0 JJAAHN CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000011910569 555858092 /nfs/dbraw/zinc/85/80/92/555858092.db2.gz IWGUKMHXTCWQAQ-RPWUZVMVSA-N 0 3 450.579 4.921 50 0 JJAAHN Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2F)C4)cs1 ZINC000015068509 555868217 /nfs/dbraw/zinc/86/82/17/555868217.db2.gz BKOOYECFSSWCEX-SWLSCSKDSA-N 0 3 472.586 4.758 50 0 JJAAHN Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](NCc2cccc(F)c2F)C4)cs1 ZINC000015068505 555868485 /nfs/dbraw/zinc/86/84/85/555868485.db2.gz BKOOYECFSSWCEX-WFASDCNBSA-N 0 3 472.586 4.758 50 0 JJAAHN O=C(c1ccco1)N1CCN(CCOc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000011996971 555878770 /nfs/dbraw/zinc/87/87/70/555878770.db2.gz HCHGWOVPGYUBSG-UHFFFAOYSA-N 0 3 487.644 4.571 50 0 JJAAHN CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041581 555894119 /nfs/dbraw/zinc/89/41/19/555894119.db2.gz HBOIQOVVUZHOSH-AREMUKBSSA-N 0 3 469.589 4.724 50 0 JJAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1)c1ccc(C(F)(F)F)cc1 ZINC000012053316 555896983 /nfs/dbraw/zinc/89/69/83/555896983.db2.gz WOIRYUPGLJLPNQ-HXUWFJFHSA-N 0 3 450.476 4.788 50 0 JJAAHN CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012131085 555911868 /nfs/dbraw/zinc/91/18/68/555911868.db2.gz UIFCZIOZDCQNCB-HSZRJFAPSA-N 0 3 482.527 4.882 50 0 JJAAHN CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012133578 555912363 /nfs/dbraw/zinc/91/23/63/555912363.db2.gz BPADUQXFWFOEIS-HHHXNRCGSA-N 0 3 498.631 4.824 50 0 JJAAHN COc1ccccc1CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccs1)[C@@H]2OC ZINC000012155928 555928385 /nfs/dbraw/zinc/92/83/85/555928385.db2.gz IYSIDJNXWDBVPS-RPBOFIJWSA-N 0 3 462.615 4.790 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccsc1)Sc1ccccc1-2 ZINC000012162772 555931335 /nfs/dbraw/zinc/93/13/35/555931335.db2.gz CBMZHJDZUYEJHJ-CYFREDJKSA-N 0 3 479.671 4.811 50 0 JJAAHN Cc1cccc(N2CCN(CCCNC(=O)c3noc4c3CSc3ccccc3-4)C[C@@H]2C)c1 ZINC000015674053 555932893 /nfs/dbraw/zinc/93/28/93/555932893.db2.gz BGLZYGCKTBUZDJ-IBGZPJMESA-N 0 3 462.619 4.586 50 0 JJAAHN COc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)cc1 ZINC000012190831 555938244 /nfs/dbraw/zinc/93/82/44/555938244.db2.gz UTAYTLAKQOISHS-RUZDIDTESA-N 0 3 494.661 4.935 50 0 JJAAHN COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC(C)(C)NC2(C)C ZINC000012378183 555967056 /nfs/dbraw/zinc/96/70/56/555967056.db2.gz QKOYUTRHELCKRA-UHFFFAOYSA-N 0 3 457.415 4.770 50 0 JJAAHN CCCN1CCN(Cn2nc(-c3ccccc3OC)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000022918464 555972369 /nfs/dbraw/zinc/97/23/69/555972369.db2.gz YHWGSIJCGKTCNO-UHFFFAOYSA-N 0 3 458.031 4.717 50 0 JJAAHN CCN1CCN(CCNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)CC1 ZINC000022936584 555989438 /nfs/dbraw/zinc/98/94/38/555989438.db2.gz KMHLRGJFACORGM-UHFFFAOYSA-N 0 3 478.662 4.618 50 0 JJAAHN O=C(C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856079 556024226 /nfs/dbraw/zinc/02/42/26/556024226.db2.gz XHZFXENDNYKYAC-UHFFFAOYSA-N 0 3 483.656 4.822 50 0 JJAAHN CCN(CC)[C@H](CNC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1cccc(OC)c1 ZINC000023182570 556029122 /nfs/dbraw/zinc/02/91/22/556029122.db2.gz WHIQFANVBROPCX-JOCHJYFZSA-N 0 3 469.607 4.552 50 0 JJAAHN O=C(Nc1cccc(CNC[C@H](c2cccs2)N2CCOCC2)c1)c1ccccc1Cl ZINC000023257803 556036754 /nfs/dbraw/zinc/03/67/54/556036754.db2.gz UOJFUQMKAYQJQV-JOCHJYFZSA-N 0 3 456.011 4.817 50 0 JJAAHN CC(C)C[NH+]1CCC(NC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000012758604 556108573 /nfs/dbraw/zinc/10/85/73/556108573.db2.gz CSDGRPQGFGEHTN-KRWDZBQOSA-N 0 3 484.691 4.510 50 0 JJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000017752378 556266191 /nfs/dbraw/zinc/26/61/91/556266191.db2.gz GAZHQWQMDQVGHO-VXNXHJTFSA-N 0 3 478.932 4.717 50 0 JJAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000017916858 556271377 /nfs/dbraw/zinc/27/13/77/556271377.db2.gz DTCMDRMUZCKVQO-BDTNDASRSA-N 0 3 479.330 4.509 50 0 JJAAHN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000017968300 556273580 /nfs/dbraw/zinc/27/35/80/556273580.db2.gz LAPBPRQUNKXYNB-VSKRKVRLSA-N 0 3 497.334 4.831 50 0 JJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000018066762 556282666 /nfs/dbraw/zinc/28/26/66/556282666.db2.gz QZXIZLNPZVLRRS-CYXNTTPDSA-N 0 3 450.494 4.900 50 0 JJAAHN CC1CCN([C@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c2cccs2)CC1 ZINC000013119737 556331858 /nfs/dbraw/zinc/33/18/58/556331858.db2.gz VKAKRTOJYJSEGZ-JOCHJYFZSA-N 0 3 454.640 4.581 50 0 JJAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000032622754 556452808 /nfs/dbraw/zinc/45/28/08/556452808.db2.gz GCOYRTRCUBRMCR-AREMUKBSSA-N 0 3 468.553 4.869 50 0 JJAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1C ZINC000032810896 556501847 /nfs/dbraw/zinc/50/18/47/556501847.db2.gz HCOYULUEMWDJMC-NRFANRHFSA-N 0 3 458.606 4.840 50 0 JJAAHN CCCC(=O)Nc1nc2ccc(CC(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)cc2s1 ZINC000032959748 556576316 /nfs/dbraw/zinc/57/63/16/556576316.db2.gz CXCDDVYAIWVQGY-UHFFFAOYSA-N 0 3 478.662 4.914 50 0 JJAAHN CC[C@@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000008590205 562942566 /nfs/dbraw/zinc/94/25/66/562942566.db2.gz WYVNWVLNIMVDCG-GOSISDBHSA-N 0 3 454.596 4.817 50 0 JJAAHN Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000057264313 569594944 /nfs/dbraw/zinc/59/49/44/569594944.db2.gz FMJZIRBITPGMGU-UHFFFAOYSA-N 0 3 474.008 4.844 50 0 JJAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057256204 569595008 /nfs/dbraw/zinc/59/50/08/569595008.db2.gz YLRMWGSKFXWGGQ-MUUNZHRXSA-N 0 3 470.592 4.873 50 0 biogenic JJAAHN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057273637 569595254 /nfs/dbraw/zinc/59/52/54/569595254.db2.gz DZDBMLLAHYUOAG-UHFFFAOYSA-N 0 3 473.602 4.692 50 0 JJAAHN COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)N(C)C)cc1 ZINC000008724728 569599874 /nfs/dbraw/zinc/59/98/74/569599874.db2.gz PSGXBOAVFUMEFE-RUZDIDTESA-N 0 3 470.573 4.589 50 0 JJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC23CCCCC3)cc1 ZINC000033738272 569632981 /nfs/dbraw/zinc/63/29/81/569632981.db2.gz HTTKUAUQGQVBGE-SONWIMMPSA-N 0 3 484.754 4.631 50 0 JJAAHN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1)NCCN1CCCCC1 ZINC000034679847 569642762 /nfs/dbraw/zinc/64/27/62/569642762.db2.gz IIZUTXUIMKSQSO-UHFFFAOYSA-N 0 3 473.592 4.817 50 0 JJAAHN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)c1 ZINC000034680063 569642989 /nfs/dbraw/zinc/64/29/89/569642989.db2.gz BUDHLXFOWOVMPW-UHFFFAOYSA-N 0 3 459.590 4.580 50 0 JJAAHN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCCN3CCCC3)cc2)c1 ZINC000034680086 569642992 /nfs/dbraw/zinc/64/29/92/569642992.db2.gz DYTUAUBBLZURKQ-UHFFFAOYSA-N 0 3 455.602 4.597 50 0 JJAAHN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034680039 569643003 /nfs/dbraw/zinc/64/30/03/569643003.db2.gz CVTYWKRHAZFIQT-UHFFFAOYSA-N 0 3 461.631 4.658 50 0 JJAAHN O=C(c1cccc(F)c1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698336 569647607 /nfs/dbraw/zinc/64/76/07/569647607.db2.gz JYKCHTNRKOSKJQ-AJTFRIOCSA-N 0 3 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CCC1=Nc2cc(C(=O)NCCCN3CCN(CC)CC3)ccc2Sc2ccc(C)cc21 ZINC000020178993 555684399 /nfs/dbraw/zinc/68/43/99/555684399.db2.gz GRFYQLCRTTXONL-UHFFFAOYSA-N 0 3 450.652 4.748 50 0 JJAAHN COC(=O)c1cc(CNC[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC ZINC000014092954 555685648 /nfs/dbraw/zinc/68/56/48/555685648.db2.gz HNEGAGMLSGLAAK-NRFANRHFSA-N 0 3 457.611 4.725 50 0 JJAAHN CC(C)[C@@H](NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000014142367 555707890 /nfs/dbraw/zinc/70/78/90/555707890.db2.gz MGKSZIRKOMDPND-RUZDIDTESA-N 0 3 465.619 4.760 50 0 JJAAHN COc1ccc2c(c1)c([C@@H](O)CN1CCN(c3ccccc3)CC1)c(C)n2Cc1ccccc1 ZINC000020267558 555748648 /nfs/dbraw/zinc/74/86/48/555748648.db2.gz YXQCMTVGQGWUAK-NDEPHWFRSA-N 0 3 455.602 4.862 50 0 JJAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000020286833 555755449 /nfs/dbraw/zinc/75/54/49/555755449.db2.gz RVRPCBBPNRKVLD-UHFFFAOYSA-N 0 3 477.052 4.705 50 0 JJAAHN CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532127 555800013 /nfs/dbraw/zinc/80/00/13/555800013.db2.gz LNRDCZGUWQXODE-GOSISDBHSA-N 0 3 454.596 4.817 50 0 JJAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000020532245 555801374 /nfs/dbraw/zinc/80/13/74/555801374.db2.gz KCBCOSNJWLDXHJ-MRXNPFEDSA-N 0 3 454.596 4.817 50 0 JJAAHN COc1ccc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000020560703 555811268 /nfs/dbraw/zinc/81/12/68/555811268.db2.gz KFUXEDAEMFTPIY-MUUNZHRXSA-N 0 3 483.612 4.563 50 0 JJAAHN O=C1N(Cc2ccccn2)C(=O)C2(CCN(C/C=C/c3ccccc3)CC2)N1Cc1ccccc1 ZINC000014531576 555819000 /nfs/dbraw/zinc/81/90/00/555819000.db2.gz AHVDUNRKJMAXEW-NTEUORMPSA-N 0 3 466.585 4.594 50 0 JJAAHN COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(Cc4ccc(C)cc4)CC3)C2=O)c1 ZINC000014532328 555819963 /nfs/dbraw/zinc/81/99/63/555819963.db2.gz ANEKIIDXIUEJQN-UHFFFAOYSA-N 0 3 463.622 4.849 50 0 JJAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014532655 555820683 /nfs/dbraw/zinc/82/06/83/555820683.db2.gz 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O=C(NC[C@@H]1CCC2(CCN(Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1)c1cccnc1 ZINC000011838590 555831933 /nfs/dbraw/zinc/83/19/33/555831933.db2.gz VFINPSFSRJPKMD-QFIPXVFZSA-N 0 3 465.981 4.939 50 0 JJAAHN COc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c(OC)c1 ZINC000011838989 555832185 /nfs/dbraw/zinc/83/21/85/555832185.db2.gz YGFZCZBSEMRJQT-FTJBHMTQSA-N 0 3 492.641 4.799 50 0 JJAAHN O=C([C@H]1Cc2ccccc2O1)N1CCOc2ccc(CN3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000015000143 555844704 /nfs/dbraw/zinc/84/47/04/555844704.db2.gz VFOAPHPLTAJVND-SSEXGKCCSA-N 0 3 498.623 4.593 50 0 JJAAHN Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccc(F)cc2F)C4)cs1 ZINC000015004563 555849511 /nfs/dbraw/zinc/84/95/11/555849511.db2.gz ZHIJBSHSMYNHFS-BLLLJJGKSA-N 0 3 472.586 4.758 50 0 JJAAHN CCc1c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000011881988 555850265 /nfs/dbraw/zinc/85/02/65/555850265.db2.gz OWXQEEBETCZCFP-UHFFFAOYSA-N 0 3 479.690 4.556 50 0 JJAAHN COc1cccc(CNC2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c1OC ZINC000015006831 555851220 /nfs/dbraw/zinc/85/12/20/555851220.db2.gz RRCWLXWLWQIDFX-OAQYLSRUSA-N 0 3 473.617 4.953 50 0 JJAAHN Cc1ccc(-c2cc3c(c(OC[C@H]4CCCN(C)C4)c2)OCCN(C(=O)C2CCC2)C3)s1 ZINC000011965311 555871622 /nfs/dbraw/zinc/87/16/22/555871622.db2.gz WEACPQHCSKGHJA-IBGZPJMESA-N 0 3 454.636 4.965 50 0 JJAAHN CCN1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccs1)Sc1ccccc1-2 ZINC000012039187 555891958 /nfs/dbraw/zinc/89/19/58/555891958.db2.gz GZQIVYVSTZMHSP-UUOWRZLLSA-N 0 3 479.671 4.811 50 0 JJAAHN C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041109 555893779 /nfs/dbraw/zinc/89/37/79/555893779.db2.gz GXTLJHFHZIEEMN-QHCPKHFHSA-N 0 3 479.628 4.813 50 0 JJAAHN CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041584 555894105 /nfs/dbraw/zinc/89/41/05/555894105.db2.gz HBOIQOVVUZHOSH-SANMLTNESA-N 0 3 469.589 4.724 50 0 JJAAHN CCN(CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012054494 555897949 /nfs/dbraw/zinc/89/79/49/555897949.db2.gz KAHCLBFBBUMKEP-ZRCGQRJVSA-N 0 3 462.590 4.631 50 0 JJAAHN Cn1c(CCNC(=O)[C@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)nc2ccccc21 ZINC000012151393 555924241 /nfs/dbraw/zinc/92/42/41/555924241.db2.gz RSULDLIYOOSWTN-JOCHJYFZSA-N 0 3 485.657 4.658 50 0 JJAAHN COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3cccs3)CC2)c1 ZINC000012151858 555925181 /nfs/dbraw/zinc/92/51/81/555925181.db2.gz ZMVOVQUFEXMBNH-OAQYLSRUSA-N 0 3 470.664 4.988 50 0 JJAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012156552 555928727 /nfs/dbraw/zinc/92/87/27/555928727.db2.gz CXDFLKOKCHCLSX-INIZCTEOSA-N 0 3 470.875 4.638 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675663 555934174 /nfs/dbraw/zinc/93/41/74/555934174.db2.gz GKBKIBXVZWPMNX-HHHXNRCGSA-N 0 3 470.658 4.800 50 0 JJAAHN CCCCN(CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675661 555934256 /nfs/dbraw/zinc/93/42/56/555934256.db2.gz GKBKIBXVZWPMNX-MHZLTWQESA-N 0 3 470.658 4.800 50 0 JJAAHN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(CCCN2CCCCC2)C3=O)o1 ZINC000015675838 555934777 /nfs/dbraw/zinc/93/47/77/555934777.db2.gz OFQRFBIHFAUGMS-MUUNZHRXSA-N 0 3 482.669 4.862 50 0 JJAAHN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000015681435 555950304 /nfs/dbraw/zinc/95/03/04/555950304.db2.gz NUHJXVSCIYMNTJ-UHFFFAOYSA-N 0 3 453.590 4.674 50 0 JJAAHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000012383486 555971567 /nfs/dbraw/zinc/97/15/67/555971567.db2.gz RJEIESQXKZBDRY-INIZCTEOSA-N 0 3 453.384 4.664 50 0 JJAAHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)cc2)CC1 ZINC000022936547 555989449 /nfs/dbraw/zinc/98/94/49/555989449.db2.gz WENLQEILFUDIQM-UHFFFAOYSA-N 0 3 482.632 4.670 50 0 JJAAHN Cc1oc(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000022936582 555989471 /nfs/dbraw/zinc/98/94/71/555989471.db2.gz JEGPWIKWWOCVPC-UHFFFAOYSA-N 0 3 478.662 4.618 50 0 JJAAHN CCN1CCN(Cc2ccc(NC(=O)COc3ccccc3-c3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000022937406 555990672 /nfs/dbraw/zinc/99/06/72/555990672.db2.gz YHKPKRQELPVTAU-UHFFFAOYSA-N 0 3 497.599 4.559 50 0 JJAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3Cc4ccccc4N3C(=O)c3ccccc3)CC2)cc1 ZINC000015773987 555992456 /nfs/dbraw/zinc/99/24/56/555992456.db2.gz JROVANCXXRGQHJ-NDEPHWFRSA-N 0 3 467.613 4.595 50 0 JJAAHN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000023054966 556002825 /nfs/dbraw/zinc/00/28/25/556002825.db2.gz DHWJMJLZUUMISF-JOCHJYFZSA-N 0 3 494.488 4.626 50 0 JJAAHN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccs1 ZINC000023079750 556006368 /nfs/dbraw/zinc/00/63/68/556006368.db2.gz HDYHWIPEANFWNZ-JWQCQUIFSA-N 0 3 486.641 4.524 50 0 JJAAHN CCOC(=O)C1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012561470 556054725 /nfs/dbraw/zinc/05/47/25/556054725.db2.gz RUDIZNYMEXXZCX-JOCHJYFZSA-N 0 3 466.405 4.735 50 0 JJAAHN COc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc(OC)c1OCc1ccccc1 ZINC000023740917 556086823 /nfs/dbraw/zinc/08/68/23/556086823.db2.gz WDNTUVUGYQJFIC-XMMPIXPASA-N 0 3 460.574 4.850 50 0 JJAAHN CCN(CC)Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)c1 ZINC000024925451 556163729 /nfs/dbraw/zinc/16/37/29/556163729.db2.gz APOJBLLFWAGOQP-UHFFFAOYSA-N 0 3 495.645 4.610 50 0 JJAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000024968235 556165637 /nfs/dbraw/zinc/16/56/37/556165637.db2.gz RQAHLAKBYNTIJL-DEOSSOPVSA-N 0 3 484.021 4.708 50 0 JJAAHN COCCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993400 556197713 /nfs/dbraw/zinc/19/77/13/556197713.db2.gz CJUUSCZZOBUTPL-MUUNZHRXSA-N 0 3 476.617 4.561 50 0 JJAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000018145891 556293977 /nfs/dbraw/zinc/29/39/77/556293977.db2.gz BLTQNZDLBFLECQ-VSKRKVRLSA-N 0 3 468.431 4.765 50 0 JJAAHN Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2CCCCN1CCN(c2ccccc2)CC1 ZINC000028048320 556313939 /nfs/dbraw/zinc/31/39/39/556313939.db2.gz PWJWDIFIDFUBPA-UHFFFAOYSA-N 0 3 466.629 4.781 50 0 JJAAHN CCN1CCN(C2(CNC(=O)c3oc4cc(Br)ccc4c3C)CCCCC2)CC1 ZINC000028293706 556329645 /nfs/dbraw/zinc/32/96/45/556329645.db2.gz DIOHIQBPSIDAOW-UHFFFAOYSA-N 0 3 462.432 4.574 50 0 JJAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000032622752 556452790 /nfs/dbraw/zinc/45/27/90/556452790.db2.gz GCOYRTRCUBRMCR-SANMLTNESA-N 0 3 468.553 4.869 50 0 JJAAHN CCC(=O)Nc1nc2ccc(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959483 556576327 /nfs/dbraw/zinc/57/63/27/556576327.db2.gz RHTHQDMWFNPUHQ-UHFFFAOYSA-N 0 3 478.662 4.648 50 0 JJAAHN CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000008590196 562942560 /nfs/dbraw/zinc/94/25/60/562942560.db2.gz DMDSURZRBVWVKZ-MRXNPFEDSA-N 0 3 452.580 4.586 50 0 JJAAHN COc1ccccc1/C=C/CN1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2cc(C)nn2C)CC1 ZINC000011967383 562957962 /nfs/dbraw/zinc/95/79/62/562957962.db2.gz 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C[C@@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)c(F)c1 ZINC000057383361 569599535 /nfs/dbraw/zinc/59/95/35/569599535.db2.gz UNTPWBXKVNWKMZ-HXUWFJFHSA-N 0 3 464.560 4.576 50 0 JJAAHN C[C@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)c(F)c1 ZINC000057383358 569599552 /nfs/dbraw/zinc/59/95/52/569599552.db2.gz UNTPWBXKVNWKMZ-FQEVSTJZSA-N 0 3 464.560 4.576 50 0 JJAAHN COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)N(C)C)cc1 ZINC000008724727 569599842 /nfs/dbraw/zinc/59/98/42/569599842.db2.gz PSGXBOAVFUMEFE-VWLOTQADSA-N 0 3 470.573 4.589 50 0 JJAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1OC)O2 ZINC000032983793 569607017 /nfs/dbraw/zinc/60/70/17/569607017.db2.gz NOJNRTWNBHRMHU-RQFMOZSRSA-N 0 3 485.584 4.708 50 0 JJAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1OC)O2 ZINC000032983790 569607059 /nfs/dbraw/zinc/60/70/59/569607059.db2.gz NOJNRTWNBHRMHU-PKNRUHJYSA-N 0 3 485.584 4.708 50 0 JJAAHN 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CSc1ccccc1CN1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000077200917 569705198 /nfs/dbraw/zinc/70/51/98/569705198.db2.gz DYFFSFGTSUGHMU-UHFFFAOYSA-N 0 3 452.599 4.590 50 0 JJAAHN COc1ccc(OC[C@H](O)CN(CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000035840565 569713793 /nfs/dbraw/zinc/71/37/93/569713793.db2.gz ZBMDOOLBSXAQMX-RUZDIDTESA-N 0 3 454.586 4.972 50 0 JJAAHN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCC2CCN(Cc3ccccc3F)CC2)o1 ZINC000085653661 569714345 /nfs/dbraw/zinc/71/43/45/569714345.db2.gz FBGTTYDBEYGLNK-UHFFFAOYSA-N 0 3 462.525 4.881 50 0 JJAAHN COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(C4CCCC4)C[C@H]23)cc1 ZINC000035871494 569718791 /nfs/dbraw/zinc/71/87/91/569718791.db2.gz QDCRGHAUGJHLJS-ISKFKSNPSA-N 0 3 473.539 4.958 50 0 JJAAHN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908087 569723930 /nfs/dbraw/zinc/72/39/30/569723930.db2.gz JJZBCNJDHMORGL-FYYLOGMGSA-N 0 3 477.596 4.731 50 0 JJAAHN O=C(COc1ccccc1)N(c1ccccc1)[C@@H]1C(Oc2ccccc2)C(=O)N1c1ccccc1 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493.357 4.899 50 0 JJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(Br)c4)[C@H]3C2=O)cc1 ZINC000102759223 569821533 /nfs/dbraw/zinc/82/15/33/569821533.db2.gz AGYOFJYQOBMALH-BHIFYINESA-N 0 3 481.321 4.948 50 0 JJAAHN CCN(CC)CCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc21)c1cccc(Br)c1 ZINC000040157910 569821831 /nfs/dbraw/zinc/82/18/31/569821831.db2.gz APHWDPLFMBRLGO-UHFFFAOYSA-N 0 3 485.426 4.729 50 0 JJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000102764089 569822631 /nfs/dbraw/zinc/82/26/31/569822631.db2.gz OXTBQFFIMWQXLJ-RJGXRXQPSA-N 0 3 493.357 4.899 50 0 JJAAHN CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000105780059 569853378 /nfs/dbraw/zinc/85/33/78/569853378.db2.gz VMRBFEVPGQPSCR-VQIMIIECSA-N 0 3 461.400 4.764 50 0 JJAAHN CC(=O)c1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)c1 ZINC000136105693 569864529 /nfs/dbraw/zinc/86/45/29/569864529.db2.gz HNZPIYWRPAOGKF-RJGXRXQPSA-N 0 3 491.341 4.703 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000137589754 569865086 /nfs/dbraw/zinc/86/50/86/569865086.db2.gz VNERRIBWWMXGQO-BHDDXSALSA-N 0 3 497.320 4.648 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000137668794 569865213 /nfs/dbraw/zinc/86/52/13/569865213.db2.gz BVVWUAPNOGNLQI-YTFSRNRJSA-N 0 3 493.357 4.817 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000138930944 569866714 /nfs/dbraw/zinc/86/67/14/569866714.db2.gz MYICIAJQICEUGR-PWRODBHTSA-N 0 3 456.395 4.896 50 0 JJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000143590748 569867630 /nfs/dbraw/zinc/86/76/30/569867630.db2.gz XGWGFGYXGUMXJS-YTFSRNRJSA-N 0 3 482.895 4.547 50 0 JJAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)C2ON1c1ccccc1 ZINC000226821478 570038775 /nfs/dbraw/zinc/03/87/75/570038775.db2.gz MOLRWMHDRADDEH-BHDDXSALSA-N 0 3 497.320 4.648 50 0 JJAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000229906928 570042191 /nfs/dbraw/zinc/04/21/91/570042191.db2.gz UZERHSVQCGYKMO-YTFSRNRJSA-N 0 3 493.357 4.817 50 0 JJAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000229968402 570042815 /nfs/dbraw/zinc/04/28/15/570042815.db2.gz QRLPNUQHXAAXTP-PWRODBHTSA-N 0 3 496.972 4.856 50 0 JJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OC)[C@@H]3C2=O)cc1 ZINC000229987181 570043212 /nfs/dbraw/zinc/04/32/12/570043212.db2.gz QJBDARGNEBVBEL-ISJGIBHGSA-N 0 3 458.514 4.535 50 0 JJAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000229999772 570043464 /nfs/dbraw/zinc/04/34/64/570043464.db2.gz JZDBCNWYNNNJMC-PWRODBHTSA-N 0 3 467.294 4.639 50 0 JJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229999772 570043465 /nfs/dbraw/zinc/04/34/65/570043465.db2.gz JZDBCNWYNNNJMC-PWRODBHTSA-N 0 3 467.294 4.639 50 0 JJAAHN COc1ccc(N2OC3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239287497 570050180 /nfs/dbraw/zinc/05/01/80/570050180.db2.gz CWWKVNPKUFVXGT-BDTNDASRSA-N 0 3 479.330 4.509 50 0 JJAAHN Cc1cccc(C)c1C(=O)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244909768 570054325 /nfs/dbraw/zinc/05/43/25/570054325.db2.gz AUMIAXHTXZEJAV-UHFFFAOYSA-N 0 3 461.528 4.865 50 0 JJAAHN C[C@H]1CCCCN1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228507 570055520 /nfs/dbraw/zinc/05/55/20/570055520.db2.gz CZLFGPGOHKLNOZ-PZGXJGMVSA-N 0 3 478.681 4.959 50 0 JJAAHN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000245326015 570064569 /nfs/dbraw/zinc/06/45/69/570064569.db2.gz CUNNTYHKLGTTOF-AVCGJXAMSA-N 0 3 458.668 4.599 50 0 JJAAHN CC(C)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248008411 570072755 /nfs/dbraw/zinc/07/27/55/570072755.db2.gz QDSFETYNVUKOGA-HSZRJFAPSA-N 0 3 494.083 4.503 50 0 JJAAHN Fc1ccc(Cn2cc(CNCCSc3nnnn3-c3ccccc3)c3ccccc32)cc1 ZINC000261492650 570170244 /nfs/dbraw/zinc/17/02/44/570170244.db2.gz XZOVBYRXFZSKGO-UHFFFAOYSA-N 0 3 458.566 4.686 50 0 JJAAHN