smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc2ccsc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738458 720684608 /nfs/dbraw/zinc/68/46/08/720684608.db2.gz JVDZUPPROAUPRS-STQMWFEESA-N 0 3 400.533 2.545 20 0 HFADHN Clc1cccc(-c2cccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164739248 720699830 /nfs/dbraw/zinc/69/98/30/720699830.db2.gz MKVKIPGOSWDGLT-CVEARBPZSA-N 0 3 408.893 2.929 20 0 HFADHN Cc1nc2c3ccccc3oc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739495 720725970 /nfs/dbraw/zinc/72/59/70/720725970.db2.gz IYABVENGAJURBR-JKSUJKDBSA-N 0 3 402.458 2.816 20 0 HFADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744912 720744976 /nfs/dbraw/zinc/74/49/76/720744976.db2.gz TUVYUCLMGUXSAD-KGLIPLIRSA-N 0 3 400.845 2.554 20 0 HFADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741482 720749139 /nfs/dbraw/zinc/74/91/39/720749139.db2.gz MRVWXMIDTUCESH-GJZGRUSLSA-N 0 3 413.913 2.798 20 0 HFADHN CCc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164741126 720757428 /nfs/dbraw/zinc/75/74/28/720757428.db2.gz MIMZQBIWHCKFLQ-CABCVRRESA-N 0 3 422.558 2.874 20 0 HFADHN CCN(c1ccccc1)c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164744077 720793036 /nfs/dbraw/zinc/79/30/36/720793036.db2.gz HIKJGEZFPXKXDB-UXHICEINSA-N 0 3 417.517 2.767 20 0 HFADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744222 720800012 /nfs/dbraw/zinc/80/00/12/720800012.db2.gz IBYDIQUZSRVCIW-KBPBESRZSA-N 0 3 416.407 2.838 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164866309 721056884 /nfs/dbraw/zinc/05/68/84/721056884.db2.gz DVIBEAZVDBTLFF-CVEARBPZSA-N 0 3 417.966 2.794 20 0 HFADHN COc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164865872 721061361 /nfs/dbraw/zinc/06/13/61/721061361.db2.gz BCWTZVORSFUOQS-QZTJIDSGSA-N 0 3 421.501 2.522 20 0 HFADHN Clc1nc2ncsc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863318 721091865 /nfs/dbraw/zinc/09/18/65/721091865.db2.gz BSJSVANCWANCPH-UONOGXRCSA-N 0 3 402.911 2.614 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164765724 721107438 /nfs/dbraw/zinc/10/74/38/721107438.db2.gz KHKLVUUUCMAVOH-DLBZAZTESA-N 0 3 413.526 2.515 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771346 721127572 /nfs/dbraw/zinc/12/75/72/721127572.db2.gz SGQVHTKMCLSLEA-DLBZAZTESA-N 0 3 417.941 2.912 20 0 HFADHN COc1cc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768093 721235909 /nfs/dbraw/zinc/23/59/09/721235909.db2.gz XVZICBHFMKWMEA-ZWKOTPCHSA-N 0 3 407.518 2.944 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)c1 ZINC001164874775 721299197 /nfs/dbraw/zinc/29/91/97/721299197.db2.gz CJACKXPJIAGWSO-MJGOQNOKSA-N 0 3 400.548 2.572 20 0 HFADHN O=C(c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164907331 721544947 /nfs/dbraw/zinc/54/49/47/721544947.db2.gz MYPFDAVEZILAHJ-CTNGQTDRSA-N 0 3 410.493 2.799 20 0 HFADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2C1 ZINC001164903556 721564491 /nfs/dbraw/zinc/56/44/91/721564491.db2.gz CHATWEZKYGTUPO-WBVHZDCISA-N 0 3 417.916 2.599 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCNC3)[C@H]2CCCO[C@H]12 ZINC001164807855 721573129 /nfs/dbraw/zinc/57/31/29/721573129.db2.gz TYBNYANGLWEXNT-DWLFOUALSA-N 0 3 413.953 2.644 20 0 HFADHN Cc1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164907098 721700698 /nfs/dbraw/zinc/70/06/98/721700698.db2.gz RNJUVBJZYZRKCB-HXUWFJFHSA-N 0 3 401.461 2.622 20 0 HFADHN c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)c1 ZINC001165015841 721782459 /nfs/dbraw/zinc/78/24/59/721782459.db2.gz ACNLXVIORAALDR-FKBYEOEOSA-N 0 3 411.550 2.717 20 0 HFADHN c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)c1 ZINC001165015840 721782787 /nfs/dbraw/zinc/78/27/87/721782787.db2.gz ACNLXVIORAALDR-BDTNDASRSA-N 0 3 411.550 2.717 20 0 HFADHN Clc1ccc2c(ncnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980651 722104571 /nfs/dbraw/zinc/10/45/71/722104571.db2.gz JUEMXTKBHONUSF-FUHWJXTLSA-N 0 3 410.909 2.801 20 0 HFADHN Clc1nc2ncccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984698 722104820 /nfs/dbraw/zinc/10/48/20/722104820.db2.gz TZNCDAWGXOVPMB-AEFFLSMTSA-N 0 3 410.909 2.801 20 0 HFADHN Clc1ccc2c(ncnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980654 722104926 /nfs/dbraw/zinc/10/49/26/722104926.db2.gz JUEMXTKBHONUSF-SJLPKXTDSA-N 0 3 410.909 2.801 20 0 HFADHN Clc1nc2cnccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979266 722109343 /nfs/dbraw/zinc/10/93/43/722109343.db2.gz PRFXMGAIRQYLNR-LPHOPBHVSA-N 0 3 410.909 2.801 20 0 HFADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974901 722115531 /nfs/dbraw/zinc/11/55/31/722115531.db2.gz IVIDXQKPGHJLNK-PMACEKPBSA-N 0 3 410.518 2.607 20 0 HFADHN F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979797 722118579 /nfs/dbraw/zinc/11/85/79/722118579.db2.gz QENMPUJEJRLNNT-HLIPFELVSA-N 0 3 406.889 2.985 20 0 HFADHN CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164980282 722132770 /nfs/dbraw/zinc/13/27/70/722132770.db2.gz MKSSRESKEJDJQH-RTWAWAEBSA-N 0 3 423.561 2.732 20 0 HFADHN COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979657 722133981 /nfs/dbraw/zinc/13/39/81/722133981.db2.gz LRGBNHCYEVLNSO-YPXJWJENSA-N 0 3 422.529 2.699 20 0 HFADHN FC(F)(c1nccnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978065 722136460 /nfs/dbraw/zinc/13/64/60/722136460.db2.gz JMEKBMMCVJWIFY-HZPDHXFCSA-N 0 3 409.868 2.797 20 0 HFADHN Cc1noc(-c2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982224 722142556 /nfs/dbraw/zinc/14/25/56/722142556.db2.gz RKYVIPSFJWUWEF-UYAOXDASSA-N 0 3 406.490 2.562 20 0 HFADHN CC1CCN(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164972808 722142648 /nfs/dbraw/zinc/14/26/48/722142648.db2.gz APSQIFURBVNKHI-VXKWHMMOSA-N 0 3 422.577 2.835 20 0 HFADHN Cc1noc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164979571 722144691 /nfs/dbraw/zinc/14/46/91/722144691.db2.gz LGECFDPDBKHJKS-PMACEKPBSA-N 0 3 406.490 2.562 20 0 HFADHN C[C@@H]1CCCN(c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)C1 ZINC001164985414 722149248 /nfs/dbraw/zinc/14/92/48/722149248.db2.gz ZJOGRMGSFGLOTA-BAGYTPMASA-N 0 3 422.577 2.835 20 0 HFADHN C[C@@H]1CCCN(c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)C1 ZINC001164985416 722149854 /nfs/dbraw/zinc/14/98/54/722149854.db2.gz ZJOGRMGSFGLOTA-CEMLEFRQSA-N 0 3 422.577 2.835 20 0 HFADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792994741 1078043539 /nfs/dbraw/zinc/04/35/39/1078043539.db2.gz GOTDDMNSOMHKJE-OAHLLOKOSA-N 0 3 417.307 2.516 20 0 HFADHN CS(=O)(=O)CC[C@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000793247888 1078109514 /nfs/dbraw/zinc/10/95/14/1078109514.db2.gz SUROGPGLHVCNQM-HXUWFJFHSA-N 0 3 423.648 2.815 20 0 HFADHN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)ccc21 ZINC000793290330 1078119484 /nfs/dbraw/zinc/11/94/84/1078119484.db2.gz FGJFIWZYHXJHHX-RTBURBONSA-N 0 3 415.534 2.967 20 0 HFADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793679861 1078252107 /nfs/dbraw/zinc/25/21/07/1078252107.db2.gz DZMIFDPRGGRPTB-GOSISDBHSA-N 0 3 405.539 2.928 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)N1CCCCC1 ZINC000793727515 1078268194 /nfs/dbraw/zinc/26/81/94/1078268194.db2.gz UEQFASUNHSXSLG-GIVPXCGWSA-N 0 3 401.551 2.603 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1)N1CCCCC1 ZINC000793714805 1078262397 /nfs/dbraw/zinc/26/23/97/1078262397.db2.gz TYRIXOIDKONIKD-MRXNPFEDSA-N 0 3 414.481 2.620 20 0 HFADHN COc1ccc(CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)[C@@H](C)C2CC2)cc1 ZINC000793716161 1078262989 /nfs/dbraw/zinc/26/29/89/1078262989.db2.gz XKYOSKOSUNZOFR-ROUUACIJSA-N 0 3 401.551 2.813 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCCCC1 ZINC000793719399 1078264137 /nfs/dbraw/zinc/26/41/37/1078264137.db2.gz DQYKGOOKYIHVBI-XJKSGUPXSA-N 0 3 403.420 2.926 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000793693941 1078270437 /nfs/dbraw/zinc/27/04/37/1078270437.db2.gz AAUAVUQUVDLUIK-AWEZNQCLSA-N 0 3 401.429 2.534 20 0 HFADHN Cc1cccc2nc(C3CCN(C(=O)C(=O)NC[C@H](C)N4CCCCC4)CC3)oc21 ZINC000793700834 1078273853 /nfs/dbraw/zinc/27/38/53/1078273853.db2.gz PGDDNXFWDYIDPV-KRWDZBQOSA-N 0 3 412.534 2.833 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1)N1CCCCC1 ZINC000793707755 1078277571 /nfs/dbraw/zinc/27/75/71/1078277571.db2.gz KBJQEZSQHGMHSS-SFHVURJKSA-N 0 3 421.541 2.895 20 0 HFADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900105 1078343922 /nfs/dbraw/zinc/34/39/22/1078343922.db2.gz FJDCBQOXHPIVRO-KFWWJZLASA-N 0 3 415.456 2.999 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000794338970 1078419069 /nfs/dbraw/zinc/41/90/69/1078419069.db2.gz KBTFEDUJPZETSZ-FQEVSTJZSA-N 0 3 422.529 2.915 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N(Cc1nn(C)c2c1CCNC2)c1ncccn1 ZINC001170446250 1078423381 /nfs/dbraw/zinc/42/33/81/1078423381.db2.gz ZHUAAGBWCLPADG-KRWDZBQOSA-N 0 3 420.517 2.612 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000794383739 1078432755 /nfs/dbraw/zinc/43/27/55/1078432755.db2.gz PMHANTNPYSUJRX-RTBURBONSA-N 0 3 405.539 2.547 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1ccc(OC)c(I)n1 ZINC000804442606 1078508763 /nfs/dbraw/zinc/50/87/63/1078508763.db2.gz GRAOODFORSFUIA-UHFFFAOYSA-N 0 3 417.291 2.643 20 0 HFADHN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCN1C ZINC001129905749 1078577424 /nfs/dbraw/zinc/57/74/24/1078577424.db2.gz PGOXPCQAYWNXKY-QMHKHESXSA-N 0 3 417.550 2.914 20 0 HFADHN COc1cc(C(=O)N(CCN(C)C)Cc2ccsc2)cc(NC(C)=O)c1OC ZINC001129584531 1078583071 /nfs/dbraw/zinc/58/30/71/1078583071.db2.gz FLDONUOVBDEVBQ-UHFFFAOYSA-N 0 3 405.520 2.928 20 0 HFADHN CCCCCCN(C)CC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761517 1078611101 /nfs/dbraw/zinc/61/11/01/1078611101.db2.gz HLCKNHJVHBYKHG-LJQANCHMSA-N 0 3 410.603 2.652 20 0 HFADHN Cc1oc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129678638 1078666447 /nfs/dbraw/zinc/66/64/47/1078666447.db2.gz DWHWQHGQMYOGFY-KRWDZBQOSA-N 0 3 409.486 2.939 20 0 HFADHN CC[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)c1nc(C)cs1 ZINC000804886549 1078715405 /nfs/dbraw/zinc/71/54/05/1078715405.db2.gz OTYPFEZCLFALNK-GOSISDBHSA-N 0 3 402.564 2.652 20 0 HFADHN CC(C)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130057684 1078880939 /nfs/dbraw/zinc/88/09/39/1078880939.db2.gz LRJNFOLYYYSVEJ-FYYLOGMGSA-N 0 3 420.557 2.942 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000805098525 1078885541 /nfs/dbraw/zinc/88/55/41/1078885541.db2.gz IAXZSPQVGRNGSA-KDOFPFPSSA-N 0 3 401.429 2.644 20 0 HFADHN CCOC(=O)N1CCC(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)CC1 ZINC000805125820 1078924286 /nfs/dbraw/zinc/92/42/86/1078924286.db2.gz KSOZNEVHGAIGAW-UHFFFAOYSA-N 0 3 415.600 2.668 20 0 HFADHN Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231751 1078950698 /nfs/dbraw/zinc/95/06/98/1078950698.db2.gz NFLPGFFYSSUZPH-HZPDHXFCSA-N 0 3 408.424 2.793 20 0 HFADHN COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)s2)cc1OC ZINC000747231814 1078951929 /nfs/dbraw/zinc/95/19/29/1078951929.db2.gz OUTBUWOEYYZAJI-HZPDHXFCSA-N 0 3 417.531 2.729 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC3CCN(CCOC)CC3)CC2)cc1Cl ZINC000805183599 1078965696 /nfs/dbraw/zinc/96/56/96/1078965696.db2.gz DSNXEXSEOKTOLB-UHFFFAOYSA-N 0 3 408.974 2.845 20 0 HFADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231432 1078967186 /nfs/dbraw/zinc/96/71/86/1078967186.db2.gz KNFFVISDISQQDT-SJORKVTESA-N 0 3 419.323 2.536 20 0 HFADHN Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805199145 1078971340 /nfs/dbraw/zinc/97/13/40/1078971340.db2.gz XIMDYDHHLAJRFG-QHCPKHFHSA-N 0 3 412.534 2.511 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236405 1078994119 /nfs/dbraw/zinc/99/41/19/1078994119.db2.gz MJOWJKAVDVWMLB-OALUTQOASA-N 0 3 406.486 2.506 20 0 HFADHN Cc1cccc(-n2ncc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2C(F)(F)F)c1 ZINC000747235900 1079004515 /nfs/dbraw/zinc/00/45/15/1079004515.db2.gz JDVFDYXMPDKMOA-HZPDHXFCSA-N 0 3 408.424 2.793 20 0 HFADHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000805335964 1079024340 /nfs/dbraw/zinc/02/43/40/1079024340.db2.gz YSPAFSHGOUGDRH-PBHICJAKSA-N 0 3 411.543 2.601 20 0 HFADHN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000805432263 1079061743 /nfs/dbraw/zinc/06/17/43/1079061743.db2.gz UZNFDKROFZRDBM-INIZCTEOSA-N 0 3 404.507 2.531 20 0 HFADHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001130300642 1079192118 /nfs/dbraw/zinc/19/21/18/1079192118.db2.gz BXHITWYTXGNIGR-RTBURBONSA-N 0 3 407.580 2.819 20 0 HFADHN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001130301073 1079192226 /nfs/dbraw/zinc/19/22/26/1079192226.db2.gz GRKVOPXWNNUGBA-MOPGFXCFSA-N 0 3 415.563 2.810 20 0 HFADHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260259 1079212439 /nfs/dbraw/zinc/21/24/39/1079212439.db2.gz CXQBVLYQVMUDDE-NSHDSACASA-N 0 3 409.335 2.790 20 0 HFADHN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260259 1079212448 /nfs/dbraw/zinc/21/24/48/1079212448.db2.gz CXQBVLYQVMUDDE-NSHDSACASA-N 0 3 409.335 2.790 20 0 HFADHN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260259 1079212455 /nfs/dbraw/zinc/21/24/55/1079212455.db2.gz CXQBVLYQVMUDDE-NSHDSACASA-N 0 3 409.335 2.790 20 0 HFADHN O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)C1CCN(Cc2ccccc2)CC1 ZINC000805872449 1079314214 /nfs/dbraw/zinc/31/42/14/1079314214.db2.gz QFPRMPWBJNSECY-UHFFFAOYSA-N 0 3 421.497 2.948 20 0 HFADHN O=C(C1CCN(C2CC2)CC1)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000805887022 1079339319 /nfs/dbraw/zinc/33/93/19/1079339319.db2.gz PSPLUAAEFVUYJH-UHFFFAOYSA-N 0 3 400.500 2.989 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c(Cl)cc1Cl ZINC000747276274 1079340183 /nfs/dbraw/zinc/34/01/83/1079340183.db2.gz FGTONUNPJVAWRM-QMTHXVAHSA-N 0 3 409.335 2.741 20 0 HFADHN CC(C)(C)OC(=O)N1C[C@H](OC(=O)C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000805947098 1079348195 /nfs/dbraw/zinc/34/81/95/1079348195.db2.gz GYTBHAWOVYQZLE-GOSISDBHSA-N 0 3 402.491 2.978 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000747281527 1079353161 /nfs/dbraw/zinc/35/31/61/1079353161.db2.gz KRCOMQOPCOOTJU-QGZVFWFLSA-N 0 3 420.506 2.755 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1=O ZINC001130496488 1079433587 /nfs/dbraw/zinc/43/35/87/1079433587.db2.gz CZWWWAAYEQNYEO-UHFFFAOYSA-N 0 3 415.921 2.765 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2)CC1 ZINC001130542490 1079462887 /nfs/dbraw/zinc/46/28/87/1079462887.db2.gz WRVMYMLBACRJBY-UHFFFAOYSA-N 0 3 411.502 2.613 20 0 HFADHN CN(CCc1ccccc1F)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806207943 1079493430 /nfs/dbraw/zinc/49/34/30/1079493430.db2.gz ZGDAHKNPZHAJTN-UHFFFAOYSA-N 0 3 421.582 2.695 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000787335858 1076747070 /nfs/dbraw/zinc/74/70/70/1076747070.db2.gz VWOARKMIXJMFFG-RCCFBDPRSA-N 0 3 424.586 2.669 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000787671573 1076906582 /nfs/dbraw/zinc/90/65/82/1076906582.db2.gz LYRWWMHIINYPQF-ROUUACIJSA-N 0 3 409.571 2.735 20 0 HFADHN CN1CC[C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689542 1076913394 /nfs/dbraw/zinc/91/33/94/1076913394.db2.gz LKNOSDROOLGINY-UZLBHIALSA-N 0 3 412.559 2.699 20 0 HFADHN Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCCCN1CCc3ccccc3C1)CCC2 ZINC000787707292 1076919802 /nfs/dbraw/zinc/91/98/02/1076919802.db2.gz DAXQXGUJBIKJEE-IBGZPJMESA-N 0 3 412.559 2.510 20 0 HFADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000787753392 1076927399 /nfs/dbraw/zinc/92/73/99/1076927399.db2.gz YLMPEWKVXXLYJI-KBPBESRZSA-N 0 3 401.429 2.753 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767034 1076941073 /nfs/dbraw/zinc/94/10/73/1076941073.db2.gz YLSBNCYFIVHYPA-YDHSSHFGSA-N 0 3 418.534 2.741 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768049 1076941330 /nfs/dbraw/zinc/94/13/30/1076941330.db2.gz XTOZYUUUHUIHIF-WWMYMODYSA-N 0 3 410.486 2.564 20 0 HFADHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994201 1077021649 /nfs/dbraw/zinc/02/16/49/1077021649.db2.gz ACCRGWOXMXQZKP-USXIJHARSA-N 0 3 414.474 2.559 20 0 HFADHN COCCN1CCC[C@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000746725649 1077055936 /nfs/dbraw/zinc/05/59/36/1077055936.db2.gz ZRTPRUKEGGDEGU-HNNXBMFYSA-N 0 3 422.327 2.867 20 0 HFADHN CN(C(=O)CC1CCC2(CC1)OCCO2)C1CCN(CCc2ccccn2)CC1 ZINC000788194403 1077075772 /nfs/dbraw/zinc/07/57/72/1077075772.db2.gz YQOFHRWQYPCOBL-UHFFFAOYSA-N 0 3 401.551 2.870 20 0 HFADHN Cc1sc(Br)nc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000788282053 1077097019 /nfs/dbraw/zinc/09/70/19/1077097019.db2.gz OGISLLWOYHDPAJ-UHFFFAOYSA-N 0 3 423.380 2.891 20 0 HFADHN CC1(C(=O)OCCc2ccc(S(N)(=O)=O)cc2)CCN(Cc2ccccc2)CC1 ZINC000772719118 1077139287 /nfs/dbraw/zinc/13/92/87/1077139287.db2.gz OINOWFWFKDSIFL-UHFFFAOYSA-N 0 3 416.543 2.722 20 0 HFADHN CC(C(=O)NC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000788520853 1077190200 /nfs/dbraw/zinc/19/02/00/1077190200.db2.gz YSDGREKCISHCGM-GFCCVEGCSA-N 0 3 414.405 2.894 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c(C)c1Cl ZINC000788651609 1077226785 /nfs/dbraw/zinc/22/67/85/1077226785.db2.gz JLJVVBZELOBGNM-RYUDHWBXSA-N 0 3 406.957 2.601 20 0 HFADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@H](C)C1 ZINC000788634460 1077239905 /nfs/dbraw/zinc/23/99/05/1077239905.db2.gz JYRVIDDYPJQETN-ZYHUDNBSSA-N 0 3 408.973 2.847 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)CCCN[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000788638428 1077241481 /nfs/dbraw/zinc/24/14/81/1077241481.db2.gz GQEUKNYWODMJSV-INIZCTEOSA-N 0 3 401.511 2.502 20 0 HFADHN Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(CN(C)C)cc3)C2=O)cc1 ZINC000788636567 1077241553 /nfs/dbraw/zinc/24/15/53/1077241553.db2.gz QTKXSASLWPVBTC-FQEVSTJZSA-N 0 3 401.532 2.531 20 0 HFADHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC000788637695 1077242259 /nfs/dbraw/zinc/24/22/59/1077242259.db2.gz HQJNQNSEIUHIFM-KZULUSFZSA-N 0 3 400.903 2.941 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788676418 1077245974 /nfs/dbraw/zinc/24/59/74/1077245974.db2.gz UCYLRUNVHDCVNP-CRAIPNDOSA-N 0 3 411.568 2.672 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788675700 1077246354 /nfs/dbraw/zinc/24/63/54/1077246354.db2.gz HOUPRFGDQXPVSI-KRWDZBQOSA-N 0 3 411.568 2.816 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2cccc3c[nH]nc32)CC1 ZINC000746953498 1077255419 /nfs/dbraw/zinc/25/54/19/1077255419.db2.gz XNFIYBMBIYHHRI-UHFFFAOYSA-N 0 3 406.486 2.763 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000788671436 1077262175 /nfs/dbraw/zinc/26/21/75/1077262175.db2.gz JZOUYMDTYSALEU-UHFFFAOYSA-N 0 3 410.486 2.699 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671710 1077262494 /nfs/dbraw/zinc/26/24/94/1077262494.db2.gz NHSOYQRHDFXHKA-MJGOQNOKSA-N 0 3 414.506 2.903 20 0 HFADHN COC(=O)COc1c(C)cc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000791007591 1077266119 /nfs/dbraw/zinc/26/61/19/1077266119.db2.gz KQPWDMOKRRXPFK-FQEVSTJZSA-N 0 3 414.477 2.885 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000790973014 1077267933 /nfs/dbraw/zinc/26/79/33/1077267933.db2.gz DNGFJYNSHDNWIW-KRWDZBQOSA-N 0 3 403.914 2.701 20 0 HFADHN CCN(C)c1ccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000790982176 1077269355 /nfs/dbraw/zinc/26/93/55/1077269355.db2.gz RFXOEHMVBVRDNN-UHFFFAOYSA-N 0 3 417.453 3.000 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000788719173 1077270532 /nfs/dbraw/zinc/27/05/32/1077270532.db2.gz PDEQWTLECQRPBD-GLJUWKHASA-N 0 3 420.476 2.795 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000788719174 1077270542 /nfs/dbraw/zinc/27/05/42/1077270542.db2.gz PDEQWTLECQRPBD-HBUWYVDXSA-N 0 3 420.476 2.795 20 0 HFADHN CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788762435 1077279754 /nfs/dbraw/zinc/27/97/54/1077279754.db2.gz SCUFBVSLHKRMSR-KRWDZBQOSA-N 0 3 405.514 2.973 20 0 HFADHN CC(C)(NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777630 1077298763 /nfs/dbraw/zinc/29/87/63/1077298763.db2.gz KWJZDYZESQBGSI-GDBMZVCRSA-N 0 3 401.429 2.983 20 0 HFADHN CN(C)CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CC1 ZINC000791145797 1077307306 /nfs/dbraw/zinc/30/73/06/1077307306.db2.gz LUKXRZDIUNWWCQ-UHFFFAOYSA-N 0 3 413.971 2.681 20 0 HFADHN C[C@@H](NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820283 1077308163 /nfs/dbraw/zinc/30/81/63/1077308163.db2.gz UIGQIMWLSUJVOM-UKRRQHHQSA-N 0 3 418.460 2.921 20 0 HFADHN Cc1cnc2c(N(CC[NH3+])c3cc(F)cc(-c4nnn[n-]4)c3)nc3ccc(C)cc3n12 ZINC001170149512 1077318349 /nfs/dbraw/zinc/31/83/49/1077318349.db2.gz UBXKRXWPLFTLJA-UHFFFAOYSA-N 0 3 417.452 2.915 20 0 HFADHN Cc1cnc2c(N(CC[NH3+])c3cc(F)cc(-c4nn[n-]n4)c3)nc3ccc(C)cc3n12 ZINC001170149512 1077318354 /nfs/dbraw/zinc/31/83/54/1077318354.db2.gz UBXKRXWPLFTLJA-UHFFFAOYSA-N 0 3 417.452 2.915 20 0 HFADHN CN(C)[C@@H](CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000788881642 1077328625 /nfs/dbraw/zinc/32/86/25/1077328625.db2.gz LJUXWJFEZPEKBU-INIZCTEOSA-N 0 3 421.485 2.976 20 0 HFADHN COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](C2CCCCC2)[NH+](C)C)c1F ZINC000788882764 1077329164 /nfs/dbraw/zinc/32/91/64/1077329164.db2.gz VEZLQZRGDSDDOD-CQSZACIVSA-N 0 3 404.479 2.540 20 0 HFADHN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000791230603 1077337751 /nfs/dbraw/zinc/33/77/51/1077337751.db2.gz TUWGVOOGOAAUQX-HXUWFJFHSA-N 0 3 406.490 2.727 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CCN(C)C)Cc3ccccc3)C2)c1 ZINC000791479335 1077420838 /nfs/dbraw/zinc/42/08/38/1077420838.db2.gz RRRRXKYUBZMBEU-QFIPXVFZSA-N 0 3 411.502 2.787 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(CC2C(=O)OCC(=O)NC2CCCc3ccccc32)C1 ZINC000789292862 1077500234 /nfs/dbraw/zinc/50/02/34/1077500234.db2.gz HGAQWAQKQCQMHR-QZTJIDSGSA-N 0 3 414.502 2.980 20 0 HFADHN O=C(Nc1ccc(-n2nccn2)nc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000791766669 1077558059 /nfs/dbraw/zinc/55/80/59/1077558059.db2.gz AMLCGWKQCDPIAA-UHFFFAOYSA-N 0 3 409.416 2.589 20 0 HFADHN COC(=O)C1=C(CN2CCC[C@@]2(CO)CC(C)C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000789504097 1077598555 /nfs/dbraw/zinc/59/85/55/1077598555.db2.gz LTZBCUAOBIAHNG-REWPJTCUSA-N 0 3 415.534 2.683 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000791974691 1077615996 /nfs/dbraw/zinc/61/59/96/1077615996.db2.gz FGZDQFBJQZXDQF-FPOVZHCZSA-N 0 3 418.497 2.635 20 0 HFADHN O=C(NCc1cccnc1-n1ccnc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792015425 1077651071 /nfs/dbraw/zinc/65/10/71/1077651071.db2.gz WGFXHFINKSUSAT-UHFFFAOYSA-N 0 3 422.455 2.872 20 0 HFADHN C[C@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)CC1(C)OCCO1 ZINC000792134465 1077718386 /nfs/dbraw/zinc/71/83/86/1077718386.db2.gz SUTXOOWPQIYSBN-JEYLPNPQSA-N 0 3 407.477 2.880 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000789679048 1077738972 /nfs/dbraw/zinc/73/89/72/1077738972.db2.gz XLPQCISCQIVMLJ-AWEZNQCLSA-N 0 3 401.898 2.719 20 0 HFADHN CCCCO[C@H]1C[C@H](NCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119160 1077771060 /nfs/dbraw/zinc/77/10/60/1077771060.db2.gz VBTNEKMMCCHSKO-ROUUACIJSA-N 0 3 420.506 2.772 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C2)c1 ZINC000792284593 1077774984 /nfs/dbraw/zinc/77/49/84/1077774984.db2.gz NLFHDIYRMJKGLQ-QFIPXVFZSA-N 0 3 409.486 2.784 20 0 HFADHN CCc1nc(NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)sc1C ZINC000789749687 1077782224 /nfs/dbraw/zinc/78/22/24/1077782224.db2.gz SGVJFCFRTMHVEM-UHFFFAOYSA-N 0 3 401.536 2.733 20 0 HFADHN C[C@@H]1CN(C(=O)CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000792331595 1077821390 /nfs/dbraw/zinc/82/13/90/1077821390.db2.gz GOGYKEKMRFKKAB-HDICACEKSA-N 0 3 409.571 2.735 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339460 1077825878 /nfs/dbraw/zinc/82/58/78/1077825878.db2.gz ABQATRJWFUXQRW-MSOLQXFVSA-N 0 3 413.905 2.925 20 0 HFADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nc(Br)ccc1F ZINC000792342468 1077827108 /nfs/dbraw/zinc/82/71/08/1077827108.db2.gz SXYTYRZWWOINJA-IBGZPJMESA-N 0 3 422.298 2.692 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792399234 1077835590 /nfs/dbraw/zinc/83/55/90/1077835590.db2.gz QUCIVKVXKSKBOU-UHFFFAOYSA-N 0 3 418.847 2.903 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cnc(Cl)cc2C)c1 ZINC000792400745 1077835837 /nfs/dbraw/zinc/83/58/37/1077835837.db2.gz SVRDIHGXQZLCCC-UHFFFAOYSA-N 0 3 404.898 2.581 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(Br)cc1F ZINC000790008800 1077893248 /nfs/dbraw/zinc/89/32/48/1077893248.db2.gz QADRWMUWRGLRCG-UHFFFAOYSA-N 0 3 420.304 2.731 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792551281 1077900136 /nfs/dbraw/zinc/90/01/36/1077900136.db2.gz JVXUBLIWHCDDME-YMAMQOFZSA-N 0 3 405.461 2.917 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)c(C=O)cc1Cl ZINC000790043250 1077909480 /nfs/dbraw/zinc/90/94/80/1077909480.db2.gz AWKBKQHQCBOXFP-UHFFFAOYSA-N 0 3 420.318 2.949 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC001170217419 1077909802 /nfs/dbraw/zinc/90/98/02/1077909802.db2.gz QEDMPJNJZJVMBO-MRXNPFEDSA-N 0 3 423.510 2.642 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000790008926 1077910911 /nfs/dbraw/zinc/91/09/11/1077910911.db2.gz ASQUKJLNILBJPT-KRWDZBQOSA-N 0 3 411.568 2.816 20 0 HFADHN CC(C)N1C(=S)N=NC1C1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000790025103 1077918255 /nfs/dbraw/zinc/91/82/55/1077918255.db2.gz UVODFHXJYUIVQK-UHFFFAOYSA-N 0 3 423.608 2.778 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccccc1C(=O)OC(C)(C)C ZINC000790047752 1077927772 /nfs/dbraw/zinc/92/77/72/1077927772.db2.gz HQTUQMOCQWDOLC-UHFFFAOYSA-N 0 3 423.535 2.785 20 0 HFADHN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCC4CN(C)C4)c23)C1 ZINC001170253539 1077928166 /nfs/dbraw/zinc/92/81/66/1077928166.db2.gz NWTYFWHCUQLFLU-AWEZNQCLSA-N 0 3 401.580 2.622 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccccc1OC(F)(F)F ZINC000790051164 1077931558 /nfs/dbraw/zinc/93/15/58/1077931558.db2.gz LMRCQHTVYPNNQT-UHFFFAOYSA-N 0 3 407.414 2.728 20 0 HFADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170384953 1077956811 /nfs/dbraw/zinc/95/68/11/1077956811.db2.gz DWFONVOMGISBAI-QZTJIDSGSA-N 0 3 414.506 2.509 20 0 HFADHN O=C1[C@@H](NC2(c3cccc(Br)c3)CCOCC2)CCN1C1CCOCC1 ZINC000790311436 1077994205 /nfs/dbraw/zinc/99/42/05/1077994205.db2.gz NCQGERCKCIBRAJ-SFHVURJKSA-N 0 3 423.351 2.824 20 0 HFADHN CCCN(CN1C[C@]2(CN3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362371 1078004812 /nfs/dbraw/zinc/00/48/12/1078004812.db2.gz KZFZLPHHXUGXDS-AVRDEDQJSA-N 0 3 422.570 2.582 20 0 HFADHN O=C(NCCCN1CCc2ccccc2C1)N(CCO)Cc1cccnc1Cl ZINC000792827341 1078006659 /nfs/dbraw/zinc/00/66/59/1078006659.db2.gz BEWLRADLNOQNKG-UHFFFAOYSA-N 0 3 402.926 2.687 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)c3c(C)nn(C)c3-n3ccnc3C)cc2)CC1 ZINC000792841259 1078012616 /nfs/dbraw/zinc/01/26/16/1078012616.db2.gz LXYCEAQXBXNXRA-UHFFFAOYSA-N 0 3 407.522 2.617 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914808 1078025136 /nfs/dbraw/zinc/02/51/36/1078025136.db2.gz SWKWBBYDOHSWOS-XJKCOSOUSA-N 0 3 421.847 2.555 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000806254220 1079522174 /nfs/dbraw/zinc/52/21/74/1079522174.db2.gz QYRUCZSTROFSBX-KZNAEPCWSA-N 0 3 407.580 2.543 20 0 HFADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328492 1079601417 /nfs/dbraw/zinc/60/14/17/1079601417.db2.gz GMDMOOXAXMIQTM-UXHICEINSA-N 0 3 421.969 2.603 20 0 HFADHN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c12 ZINC000747326493 1079644977 /nfs/dbraw/zinc/64/49/77/1079644977.db2.gz SDXCCDKAFOYSEN-IRXDYDNUSA-N 0 3 410.449 2.930 20 0 HFADHN CC[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)N1CCc2ccccc2C1 ZINC000806397780 1079686007 /nfs/dbraw/zinc/68/60/07/1079686007.db2.gz QHVSKWUWYRTQGL-UXHICEINSA-N 0 3 402.539 2.743 20 0 HFADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN(C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508934 1079722736 /nfs/dbraw/zinc/72/27/36/1079722736.db2.gz YHDUSGQOWOJDMQ-PYNJAUNQSA-N 0 3 413.942 2.541 20 0 HFADHN COC(=O)C1CCN(CCCNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806465067 1079736323 /nfs/dbraw/zinc/73/63/23/1079736323.db2.gz QUGAWHYCGFLRFH-UHFFFAOYSA-N 0 3 418.719 2.502 20 0 HFADHN COC(OC)c1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)o1 ZINC000806502203 1079752361 /nfs/dbraw/zinc/75/23/61/1079752361.db2.gz LASOXGNRQYLUCA-UHFFFAOYSA-N 0 3 401.463 2.521 20 0 HFADHN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747341683 1079876165 /nfs/dbraw/zinc/87/61/65/1079876165.db2.gz HDFBJJKFOCUIGA-HZPDHXFCSA-N 0 3 409.490 2.865 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1=O ZINC001130707252 1079877662 /nfs/dbraw/zinc/87/76/62/1079877662.db2.gz PBJXQEDZDWBCKG-UHFFFAOYSA-N 0 3 401.894 2.978 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738409 1079929606 /nfs/dbraw/zinc/92/96/06/1079929606.db2.gz CZDCRETXIUQSBA-CPUCHLNUSA-N 0 3 402.322 2.579 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000806770306 1079990129 /nfs/dbraw/zinc/99/01/29/1079990129.db2.gz YDVVUWQLNHCECC-UHFFFAOYSA-N 0 3 424.586 2.578 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000806902684 1080109136 /nfs/dbraw/zinc/10/91/36/1080109136.db2.gz BLXFJMZSTYNLPN-IBGZPJMESA-N 0 3 412.575 2.528 20 0 HFADHN O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000807092453 1080272343 /nfs/dbraw/zinc/27/23/43/1080272343.db2.gz VPZJSQTZUIDAML-FGZHOGPDSA-N 0 3 413.562 2.747 20 0 HFADHN O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000807092455 1080272479 /nfs/dbraw/zinc/27/24/79/1080272479.db2.gz VPZJSQTZUIDAML-YADHBBJMSA-N 0 3 413.562 2.747 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000807149136 1080302810 /nfs/dbraw/zinc/30/28/10/1080302810.db2.gz SZTAHAJNTAXAOH-XKGZKEIXSA-N 0 3 420.554 2.854 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000807247534 1080404558 /nfs/dbraw/zinc/40/45/58/1080404558.db2.gz XRZGHBBSLPFNIV-SFTDATJTSA-N 0 3 417.594 2.577 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000807334692 1080534831 /nfs/dbraw/zinc/53/48/31/1080534831.db2.gz SIJGUOZTGPINGZ-UHFFFAOYSA-N 0 3 419.526 2.702 20 0 HFADHN COc1cc(OC)cc([C@H](O)CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000807400011 1080595278 /nfs/dbraw/zinc/59/52/78/1080595278.db2.gz WFFGYWOLVOFRHN-IPHXSNPTSA-N 0 3 401.507 2.728 20 0 HFADHN CN1CCN(CCNC(=O)c2nc(Br)sc2C2CC2)CC1(C)C ZINC000807472785 1080654389 /nfs/dbraw/zinc/65/43/89/1080654389.db2.gz PFXFDQNOTPLPOY-UHFFFAOYSA-N 0 3 401.374 2.539 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441946 1080663477 /nfs/dbraw/zinc/66/34/77/1080663477.db2.gz SBDLDYKHXIZWPK-IMBTUZDBSA-N 0 3 403.527 2.598 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442968 1080663912 /nfs/dbraw/zinc/66/39/12/1080663912.db2.gz UTQGLXCPNKXOLB-MJBXVCDLSA-N 0 3 404.433 2.513 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000807524180 1080776797 /nfs/dbraw/zinc/77/67/97/1080776797.db2.gz XAOHOCNSJAIZKS-UHFFFAOYSA-N 0 3 404.555 2.671 20 0 HFADHN CN1C(=O)C[C@@H](CNCc2cccc3c2OCO3)[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328607766 569419064 /nfs/dbraw/zinc/41/90/64/569419064.db2.gz XAKHQYIGFBAUTB-WMZHIEFXSA-N 0 3 418.497 2.969 20 0 HFADHN CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3NCc4ccccc4[C@H]3C2)cnc1Cl ZINC001164429896 718948436 /nfs/dbraw/zinc/94/84/36/718948436.db2.gz QMGXCVCCBZQUES-HUUCEWRRSA-N 0 3 413.877 2.759 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Oc3cnc(Cl)cn3)CC2)CC1 ZINC001164618114 719035317 /nfs/dbraw/zinc/03/53/17/719035317.db2.gz SGZINXZEYYODRG-UHFFFAOYSA-N 0 3 418.872 2.799 20 0 HFADHN CN(Cc1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164683053 719600306 /nfs/dbraw/zinc/60/03/06/719600306.db2.gz DKWOFXQVLRJRNG-SFHVURJKSA-N 0 3 404.518 2.987 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164683569 719712793 /nfs/dbraw/zinc/71/27/93/719712793.db2.gz LADFDSBUYSQIQC-UHFFFAOYSA-N 0 3 409.868 2.742 20 0 HFADHN CCOC(=O)c1cc(N2CCC3(CCCN3CC(=O)NC)CC2)nc2ccccc21 ZINC001164686754 719717991 /nfs/dbraw/zinc/71/79/91/719717991.db2.gz RCDMRMCEXZNZJU-UHFFFAOYSA-N 0 3 410.518 2.592 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164687249 719719290 /nfs/dbraw/zinc/71/92/90/719719290.db2.gz VJAWWXHWGGPLTD-UHFFFAOYSA-N 0 3 404.518 2.806 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164689886 719745156 /nfs/dbraw/zinc/74/51/56/719745156.db2.gz NRPHBPMIULNYLH-UHFFFAOYSA-N 0 3 412.509 2.981 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@H]2C1 ZINC001164704295 719885538 /nfs/dbraw/zinc/88/55/38/719885538.db2.gz UZYLFYSMYNMVSX-VNQPRFMTSA-N 0 3 401.898 2.593 20 0 HFADHN COC(=O)C[C@@H](c1ccnc(N2CCc3ncc(CN4CCCC4)n3CC2)c1)C1CC1 ZINC001164736580 720577941 /nfs/dbraw/zinc/57/79/41/720577941.db2.gz NTYATQBUCLFRAU-OAQYLSRUSA-N 0 3 423.561 2.993 20 0 HFADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736691 720689548 /nfs/dbraw/zinc/68/95/48/720689548.db2.gz ALDQGKIZRJHVBH-IRXDYDNUSA-N 0 3 413.485 2.757 20 0 HFADHN Clc1ncc(-c2ccccc2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737574 720701301 /nfs/dbraw/zinc/70/13/01/720701301.db2.gz GJBFLGKVYKCXTM-DLBZAZTESA-N 0 3 408.893 2.929 20 0 HFADHN Cc1nc2c3ccccc3oc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739491 720726518 /nfs/dbraw/zinc/72/65/18/720726518.db2.gz IYABVENGAJURBR-CVEARBPZSA-N 0 3 402.458 2.816 20 0 HFADHN c1ccc(COc2cccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164739890 720739330 /nfs/dbraw/zinc/73/93/30/720739330.db2.gz JIZBLHGHFYNIBJ-PMACEKPBSA-N 0 3 403.486 2.793 20 0 HFADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164739303 720758846 /nfs/dbraw/zinc/75/88/46/720758846.db2.gz IDEYOISCGKFOPK-HUUCEWRRSA-N 0 3 408.531 2.620 20 0 HFADHN Clc1cccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164738695 720765635 /nfs/dbraw/zinc/76/56/35/720765635.db2.gz GWDHRONNXBAGIL-ZWKOTPCHSA-N 0 3 408.893 2.929 20 0 HFADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749278 720801528 /nfs/dbraw/zinc/80/15/28/720801528.db2.gz SXTWWNSCOLYWPK-OALUTQOASA-N 0 3 406.465 2.723 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868743 721044527 /nfs/dbraw/zinc/04/45/27/721044527.db2.gz QENZHPQFCUYFDJ-SJORKVTESA-N 0 3 416.909 2.786 20 0 HFADHN COc1ccc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762500 721072295 /nfs/dbraw/zinc/07/22/95/721072295.db2.gz FDGWUQQNEMPXKX-JKSUJKDBSA-N 0 3 412.925 2.984 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865478 721103103 /nfs/dbraw/zinc/10/31/03/721103103.db2.gz LOXNGRDYKWSTSG-PMACEKPBSA-N 0 3 410.518 2.750 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164765726 721106985 /nfs/dbraw/zinc/10/69/85/721106985.db2.gz KHKLVUUUCMAVOH-IAGOWNOFSA-N 0 3 413.526 2.515 20 0 HFADHN CCOC(=O)/C=C/c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865314 721112633 /nfs/dbraw/zinc/11/26/33/721112633.db2.gz JUWLWMSNFHZUPF-JHNWYVAOSA-N 0 3 408.502 2.533 20 0 HFADHN COC(=O)c1ccc2nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001164768166 721115682 /nfs/dbraw/zinc/11/56/82/721115682.db2.gz NNCGWTXZYCUQNC-UXHICEINSA-N 0 3 405.502 2.713 20 0 HFADHN Fc1ncccc1-c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864372 721115997 /nfs/dbraw/zinc/11/59/97/721115997.db2.gz FPBRMEXUAIUDOF-ROUUACIJSA-N 0 3 406.465 2.552 20 0 HFADHN CCCN(CCC)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164862806 721116151 /nfs/dbraw/zinc/11/61/51/721116151.db2.gz AOODYIRWYNSRKB-SFTDATJTSA-N 0 3 410.566 2.978 20 0 HFADHN COc1cc2nc(C)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164763403 721136529 /nfs/dbraw/zinc/13/65/29/721136529.db2.gz FMNWOEPCEPDTPA-QZTJIDSGSA-N 0 3 422.533 2.647 20 0 HFADHN COc1ccc2nc(Cl)cc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2n1 ZINC001164765683 721142803 /nfs/dbraw/zinc/14/28/03/721142803.db2.gz KBJQVIUKBXVWBG-HZPDHXFCSA-N 0 3 412.925 2.984 20 0 HFADHN CC1CCN(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164877652 721149878 /nfs/dbraw/zinc/14/98/78/721149878.db2.gz POKVEQCTTURBDF-SFTDATJTSA-N 0 3 408.550 2.588 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c(C)nc2c1 ZINC001164880454 721161063 /nfs/dbraw/zinc/16/10/63/721161063.db2.gz WTTDJFYPSNXOEF-AZUAARDMSA-N 0 3 405.502 2.822 20 0 HFADHN CC(C)n1cnc2c1nc(Cl)nc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763404 721172393 /nfs/dbraw/zinc/17/23/93/721172393.db2.gz FVHHGPSHEUJJBL-CVEARBPZSA-N 0 3 414.945 2.752 20 0 HFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CCN3C2)c1 ZINC001164880379 721185265 /nfs/dbraw/zinc/18/52/65/721185265.db2.gz WBQCQSSVHCMLNN-RTWAWAEBSA-N 0 3 409.534 2.920 20 0 HFADHN COc1ccccc1-c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nn1 ZINC001164770786 721202338 /nfs/dbraw/zinc/20/23/38/721202338.db2.gz OKLJVQWPNYJFEH-MOPGFXCFSA-N 0 3 404.518 2.844 20 0 HFADHN Cc1nc(COC[C@@H]2Cn3nccc3CN(c3cc(CN(C)C)ccn3)C2)cs1 ZINC001164877533 721332386 /nfs/dbraw/zinc/33/23/86/721332386.db2.gz VJLJJWRKVJNVSK-SFHVURJKSA-N 0 3 412.563 2.958 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001164887501 721339547 /nfs/dbraw/zinc/33/95/47/721339547.db2.gz UZVJPLOKGCXHGD-UWJYYQICSA-N 0 3 407.942 2.558 20 0 HFADHN CCOC(=O)c1cc(Cl)nnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899705 721522141 /nfs/dbraw/zinc/52/21/41/721522141.db2.gz LULYQBWSCBERQA-GDBMZVCRSA-N 0 3 420.872 2.788 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164905301 721551299 /nfs/dbraw/zinc/55/12/99/721551299.db2.gz GMVZMRGVRRJRIM-ZBFHGGJFSA-N 0 3 416.888 2.806 20 0 HFADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164903101 721561036 /nfs/dbraw/zinc/56/10/36/721561036.db2.gz AKRFZPWFIFPNBI-IEBWSBKVSA-N 0 3 415.538 2.511 20 0 HFADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903482 721562981 /nfs/dbraw/zinc/56/29/81/721562981.db2.gz BJKRRHCBEDRTDP-SJLPKXTDSA-N 0 3 414.481 2.697 20 0 HFADHN O=C1COc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2N1 ZINC001164908713 721706397 /nfs/dbraw/zinc/70/63/97/721706397.db2.gz YTGXIBLRPFSWLU-FQEVSTJZSA-N 0 3 415.444 2.545 20 0 HFADHN NC(=S)Nc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164909677 721731060 /nfs/dbraw/zinc/73/10/60/721731060.db2.gz CVFNNRQRUXBKOZ-IBGZPJMESA-N 0 3 418.517 2.870 20 0 HFADHN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164925094 721837172 /nfs/dbraw/zinc/83/71/72/721837172.db2.gz NQEZVDXAKYXICR-REWPJTCUSA-N 0 3 408.550 2.732 20 0 HFADHN CCOC(=O)c1cc(C)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983444 722105680 /nfs/dbraw/zinc/10/56/80/722105680.db2.gz QDUDMQVIWJMTKT-PZJWPPBQSA-N 0 3 410.518 2.689 20 0 HFADHN CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983124 722118912 /nfs/dbraw/zinc/11/89/12/722118912.db2.gz YIDFMNLLMZFBOS-SFTDATJTSA-N 0 3 423.561 2.732 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164971465 722125548 /nfs/dbraw/zinc/12/55/48/722125548.db2.gz COLHISKXBJMJKG-SFTDATJTSA-N 0 3 424.545 2.997 20 0 HFADHN Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164970932 722125616 /nfs/dbraw/zinc/12/56/16/722125616.db2.gz ASUUAMZAYUOZBO-WBVHZDCISA-N 0 3 423.895 2.984 20 0 HFADHN Nc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164970928 722125695 /nfs/dbraw/zinc/12/56/95/722125695.db2.gz ASUUAMZAYUOZBO-DOTOQJQBSA-N 0 3 423.895 2.984 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164972695 722128641 /nfs/dbraw/zinc/12/86/41/722128641.db2.gz AIBJWLJPOQOBHQ-LEWJYISDSA-N 0 3 408.550 2.589 20 0 HFADHN CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164978070 722129866 /nfs/dbraw/zinc/12/98/66/722129866.db2.gz JMXWMOPXQHTLFU-OOBCZCDPSA-N 0 3 422.529 2.780 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983871 722130071 /nfs/dbraw/zinc/13/00/71/722130071.db2.gz VWUFVAXQWCVHQS-JTSKRJEESA-N 0 3 423.492 2.900 20 0 HFADHN CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164978073 722130114 /nfs/dbraw/zinc/13/01/14/722130114.db2.gz JMXWMOPXQHTLFU-UBYOCFDASA-N 0 3 422.529 2.780 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164980926 722131512 /nfs/dbraw/zinc/13/15/12/722131512.db2.gz NTRHIARKFIAGTM-RTWAWAEBSA-N 0 3 408.550 2.589 20 0 HFADHN FC(F)(c1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978865 722134192 /nfs/dbraw/zinc/13/41/92/722134192.db2.gz KBQKMFIQDIMGNI-JKSUJKDBSA-N 0 3 409.868 2.797 20 0 HFADHN Nc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164977083 722136973 /nfs/dbraw/zinc/13/69/73/722136973.db2.gz IRGFRKYUHYXBRT-CRAIPNDOSA-N 0 3 423.895 2.984 20 0 HFADHN Cc1noc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164979573 722145032 /nfs/dbraw/zinc/14/50/32/722145032.db2.gz LGECFDPDBKHJKS-UXHICEINSA-N 0 3 406.490 2.562 20 0 HFADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@H]32)cs1 ZINC001164986523 722185883 /nfs/dbraw/zinc/18/58/83/722185883.db2.gz FQEWBRUCPMNBRJ-WOJBJXKFSA-N 0 3 401.580 2.778 20 0 HFADHN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001165006079 722270298 /nfs/dbraw/zinc/27/02/98/722270298.db2.gz LRMUNKVICOBMBV-DEOSSOPVSA-N 0 3 423.536 2.744 20 0 HFADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000790501009 1078046133 /nfs/dbraw/zinc/04/61/33/1078046133.db2.gz DNBFGJNNINMEAO-HKUYNNGSSA-N 0 3 420.554 2.635 20 0 HFADHN COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046011 1078055620 /nfs/dbraw/zinc/05/56/20/1078055620.db2.gz ZAOLDQOFSINBDK-SNUQEOBHSA-N 0 3 401.429 2.969 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)nc1Br ZINC000793049128 1078056349 /nfs/dbraw/zinc/05/63/49/1078056349.db2.gz CDJUTGOZHJNSKH-XJKSGUPXSA-N 0 3 419.323 2.899 20 0 HFADHN COC(=O)C1CCN(CCCNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793063448 1078059993 /nfs/dbraw/zinc/05/99/93/1078059993.db2.gz QEQPDWCTSTZSTO-UHFFFAOYSA-N 0 3 421.535 2.700 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000790599052 1078064039 /nfs/dbraw/zinc/06/40/39/1078064039.db2.gz RMXUHPKRDBOWHE-MSOLQXFVSA-N 0 3 403.523 2.946 20 0 HFADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)Nc3cccc(Cl)n3)c2)CC1 ZINC000793060694 1078069280 /nfs/dbraw/zinc/06/92/80/1078069280.db2.gz YHVCPTXPUCSOLR-UHFFFAOYSA-N 0 3 401.898 2.843 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)c3c(C)nn(C)c3-n3ccnc3C)CC2)c1 ZINC000793127043 1078072717 /nfs/dbraw/zinc/07/27/17/1078072717.db2.gz GJMQDRNGHCIUNA-UHFFFAOYSA-N 0 3 422.533 2.626 20 0 HFADHN CC1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000790675404 1078087098 /nfs/dbraw/zinc/08/70/98/1078087098.db2.gz ZKASYOROGMCBQY-IRXDYDNUSA-N 0 3 400.539 2.707 20 0 HFADHN COCC1(C(=O)NCCN(C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793170571 1078093978 /nfs/dbraw/zinc/09/39/78/1078093978.db2.gz RJDGAOKOZUPOPD-UHFFFAOYSA-N 0 3 419.566 2.898 20 0 HFADHN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)ccc21 ZINC000793290325 1078119534 /nfs/dbraw/zinc/11/95/34/1078119534.db2.gz FGJFIWZYHXJHHX-MOPGFXCFSA-N 0 3 415.534 2.967 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513305 1078196447 /nfs/dbraw/zinc/19/64/47/1078196447.db2.gz BCJMQJXORQJBCG-UTKZUKDTSA-N 0 3 413.493 2.915 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514449 1078196657 /nfs/dbraw/zinc/19/66/57/1078196657.db2.gz CVAWFIOCISTDEO-ZWKOTPCHSA-N 0 3 403.523 2.671 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521507 1078198534 /nfs/dbraw/zinc/19/85/34/1078198534.db2.gz YHPZIOLNSYLJJT-PKTZIBPZSA-N 0 3 409.530 2.950 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000793646337 1078240222 /nfs/dbraw/zinc/24/02/22/1078240222.db2.gz RXWNVXVTCSHIDY-SFHVURJKSA-N 0 3 401.551 2.519 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCCCC1 ZINC000793719397 1078264204 /nfs/dbraw/zinc/26/42/04/1078264204.db2.gz DQYKGOOKYIHVBI-CJNGLKHVSA-N 0 3 403.420 2.926 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1)N1CCCCC1 ZINC000793727531 1078268799 /nfs/dbraw/zinc/26/87/99/1078268799.db2.gz UEQFASUNHSXSLG-NRSPTQNISA-N 0 3 401.551 2.603 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436645 1078278038 /nfs/dbraw/zinc/27/80/38/1078278038.db2.gz JMAFXYWUVDVRNP-HTAPYJJXSA-N 0 3 401.507 2.824 20 0 HFADHN Cc1ccc(C[C@@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c2ccccn2)cc1 ZINC000793703067 1078274935 /nfs/dbraw/zinc/27/49/35/1078274935.db2.gz VXOFTQCQHKHKCA-SIKLNZKXSA-N 0 3 408.546 2.781 20 0 HFADHN CC1CCN([C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782332 1078292683 /nfs/dbraw/zinc/29/26/83/1078292683.db2.gz GOEMRBZJNNPOCB-FYYLOGMGSA-N 0 3 420.557 2.987 20 0 HFADHN CC1CCN([C@@H](CNC(=O)C(=O)NC[C@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784884 1078294134 /nfs/dbraw/zinc/29/41/34/1078294134.db2.gz NUDAZIIDFPLSJA-OALUTQOASA-N 0 3 421.632 2.541 20 0 HFADHN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000793796096 1078300553 /nfs/dbraw/zinc/30/05/53/1078300553.db2.gz WRIOLTURTBAPHY-QGZVFWFLSA-N 0 3 403.548 2.530 20 0 HFADHN NC(=NOCc1cccc(Br)n1)c1ccccc1CN1CCC(O)CC1 ZINC000793834627 1078310297 /nfs/dbraw/zinc/31/02/97/1078310297.db2.gz JCDKPRWMCCPPRS-UHFFFAOYSA-N 0 3 419.323 2.848 20 0 HFADHN CC(C)N(CCN(C)C)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877268 1078332643 /nfs/dbraw/zinc/33/26/43/1078332643.db2.gz VRQYHMKXTUJDRU-UHFFFAOYSA-N 0 3 416.610 2.868 20 0 HFADHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972309 1078349888 /nfs/dbraw/zinc/34/98/88/1078349888.db2.gz WBQDKJMSCIZMCQ-ACRUOGEOSA-N 0 3 422.529 2.711 20 0 HFADHN O=C(NC[C@H]1CCCCN1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972314 1078349926 /nfs/dbraw/zinc/34/99/26/1078349926.db2.gz WBQDKJMSCIZMCQ-NJYVYQBISA-N 0 3 422.529 2.711 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001170440916 1078355028 /nfs/dbraw/zinc/35/50/28/1078355028.db2.gz FPPFAMMQIULMGA-JBYIUTFZSA-N 0 3 403.523 2.631 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000794339083 1078419099 /nfs/dbraw/zinc/41/90/99/1078419099.db2.gz LMFMCUVKGXYIRJ-OAQYLSRUSA-N 0 3 406.486 2.703 20 0 HFADHN CN(C(=O)OC(C)(C)C)C1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794367867 1078427343 /nfs/dbraw/zinc/42/73/43/1078427343.db2.gz WZRWKSDUIMFVGU-INIZCTEOSA-N 0 3 401.548 2.593 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000804376496 1078453708 /nfs/dbraw/zinc/45/37/08/1078453708.db2.gz DIWGKXXKYVMNFS-AWEZNQCLSA-N 0 3 407.563 2.677 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000804650717 1078477727 /nfs/dbraw/zinc/47/77/27/1078477727.db2.gz VEHSFHAAOGQJSD-CQSZACIVSA-N 0 3 415.325 2.939 20 0 HFADHN COC(=O)c1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804498546 1078554049 /nfs/dbraw/zinc/55/40/49/1078554049.db2.gz QHORNPOHFQCRRU-IBGZPJMESA-N 0 3 409.408 2.936 20 0 HFADHN COCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C1CCN(C)CC1 ZINC001129599713 1078573703 /nfs/dbraw/zinc/57/37/03/1078573703.db2.gz IJSIVCPVAQSEAY-LJQANCHMSA-N 0 3 401.551 2.616 20 0 HFADHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC001129906077 1078578509 /nfs/dbraw/zinc/57/85/09/1078578509.db2.gz WABODPORWRTOPR-ROUUACIJSA-N 0 3 407.580 2.724 20 0 HFADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731261 1078589280 /nfs/dbraw/zinc/58/92/80/1078589280.db2.gz LCFNYZPBWJTGFE-FUHWJXTLSA-N 0 3 409.452 2.622 20 0 HFADHN Cc1oc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129678643 1078666548 /nfs/dbraw/zinc/66/65/48/1078666548.db2.gz DWHWQHGQMYOGFY-QGZVFWFLSA-N 0 3 409.486 2.939 20 0 HFADHN CCN(c1ccnc(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736237 1078682803 /nfs/dbraw/zinc/68/28/03/1078682803.db2.gz YJYSUZSGIONOIO-MOPGFXCFSA-N 0 3 411.554 2.653 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)NC(C)C)cc2)CC1 ZINC000804929858 1078785444 /nfs/dbraw/zinc/78/54/44/1078785444.db2.gz RPGZWNWBPYQPTM-OAQYLSRUSA-N 0 3 416.566 2.958 20 0 HFADHN COC1CCN(C2(CNS(=O)(=O)c3cnc(Cl)c(F)c3)CCCC2)CC1 ZINC000804990031 1078794770 /nfs/dbraw/zinc/79/47/70/1078794770.db2.gz SVRJJSZAXOKGGM-UHFFFAOYSA-N 0 3 405.923 2.576 20 0 HFADHN CCOC(=O)N1CCC(S(=O)(=O)N(CCN2CCCCCC2)C(C)C)CC1 ZINC000805106586 1078889777 /nfs/dbraw/zinc/88/97/77/1078889777.db2.gz GAPUJKXSJCWTLD-UHFFFAOYSA-N 0 3 403.589 2.524 20 0 HFADHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000805075426 1078907373 /nfs/dbraw/zinc/90/73/73/1078907373.db2.gz XEDRFZPOOMLCSA-YUTCNCBUSA-N 0 3 400.292 2.812 20 0 HFADHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000805075425 1078907423 /nfs/dbraw/zinc/90/74/23/1078907423.db2.gz XEDRFZPOOMLCSA-UBHSHLNASA-N 0 3 400.292 2.812 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231055 1078944246 /nfs/dbraw/zinc/94/42/46/1078944246.db2.gz DXXSMHIEONZCBX-CTNGQTDRSA-N 0 3 406.486 2.506 20 0 HFADHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001130099619 1078949971 /nfs/dbraw/zinc/94/99/71/1078949971.db2.gz VRAIMLYCJUAYRE-LJQANCHMSA-N 0 3 413.543 2.604 20 0 HFADHN C[C@@H](C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000805201963 1078953496 /nfs/dbraw/zinc/95/34/96/1078953496.db2.gz KITCYLVCNJCBHQ-STQMWFEESA-N 0 3 419.410 2.766 20 0 HFADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805180531 1078964992 /nfs/dbraw/zinc/96/49/92/1078964992.db2.gz KUIRLNKUINSJTO-AUSIDOKSSA-N 0 3 416.610 2.724 20 0 HFADHN C[C@@](O)(CCNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1ccccc1 ZINC000805198912 1078971773 /nfs/dbraw/zinc/97/17/73/1078971773.db2.gz VHWMULYDJLLNGH-LOSJGSFVSA-N 0 3 423.557 2.571 20 0 HFADHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000747235339 1079008009 /nfs/dbraw/zinc/00/80/09/1079008009.db2.gz CNDQPPRTRXZXKW-JKSUJKDBSA-N 0 3 402.520 2.572 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000805257666 1079000768 /nfs/dbraw/zinc/00/07/68/1079000768.db2.gz BTKIAZKMTHJHQS-KDOFPFPSSA-N 0 3 401.429 2.644 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236678 1079011864 /nfs/dbraw/zinc/01/18/64/1079011864.db2.gz NUJSXPFXUKUCJT-CHWSQXEVSA-N 0 3 412.387 2.623 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236690 1079012120 /nfs/dbraw/zinc/01/21/20/1079012120.db2.gz NUJSXPFXUKUCJT-STQMWFEESA-N 0 3 412.387 2.623 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247141 1079104440 /nfs/dbraw/zinc/10/44/40/1079104440.db2.gz IPYWQLSIBJCVPW-ZIAGYGMSSA-N 0 3 407.319 2.685 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247141 1079104445 /nfs/dbraw/zinc/10/44/45/1079104445.db2.gz IPYWQLSIBJCVPW-ZIAGYGMSSA-N 0 3 407.319 2.685 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1C ZINC000805675124 1079214371 /nfs/dbraw/zinc/21/43/71/1079214371.db2.gz JDGZEWZFLIYNFO-NRFANRHFSA-N 0 3 408.546 2.828 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(Cl)cc1Cl ZINC000747276268 1079340127 /nfs/dbraw/zinc/34/01/27/1079340127.db2.gz FGTONUNPJVAWRM-HZMBPMFUSA-N 0 3 409.335 2.741 20 0 HFADHN CN(C)CCN1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccccc2)CC1=O ZINC001130498902 1079415480 /nfs/dbraw/zinc/41/54/80/1079415480.db2.gz HUCKMUVYBFZETG-UHFFFAOYSA-N 0 3 418.541 3.000 20 0 HFADHN COc1ccc(OC)c(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130528790 1079465400 /nfs/dbraw/zinc/46/54/00/1079465400.db2.gz PMNKGOXQYLZSOK-JTHBVZDNSA-N 0 3 410.514 2.748 20 0 HFADHN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC1CCN(Cc3ccco3)CC1)C2=O ZINC000772698691 1076756443 /nfs/dbraw/zinc/75/64/43/1076756443.db2.gz OHTWRQPHFJDFQH-AOMKIAJQSA-N 0 3 417.506 2.536 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322284 1076766274 /nfs/dbraw/zinc/76/62/74/1076766274.db2.gz CZESIGJXWQVRAU-OKZBNKHCSA-N 0 3 424.586 2.717 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000787323197 1076767325 /nfs/dbraw/zinc/76/73/25/1076767325.db2.gz ARYNJTNROFFFOW-ZHALLVOQSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)N1CCCCC1 ZINC000787470083 1076834521 /nfs/dbraw/zinc/83/45/21/1076834521.db2.gz FJRPZAZMFYCPIM-HNNXBMFYSA-N 0 3 400.454 2.942 20 0 HFADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000787663224 1076903112 /nfs/dbraw/zinc/90/31/12/1076903112.db2.gz CTPHQCWHWHKCMG-QGZVFWFLSA-N 0 3 411.468 2.869 20 0 HFADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787664391 1076903584 /nfs/dbraw/zinc/90/35/84/1076903584.db2.gz HTYHAEASZPCLBZ-QHCPKHFHSA-N 0 3 405.542 2.554 20 0 HFADHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000787705944 1076919625 /nfs/dbraw/zinc/91/96/25/1076919625.db2.gz MHMQWAVAIMHBNJ-KRWDZBQOSA-N 0 3 407.559 2.725 20 0 HFADHN Cc1ccc(-n2c(Cl)c(CNC[C@@H](C)CN3CCOCC3)nc2N(C)C)cc1 ZINC000787771896 1076942215 /nfs/dbraw/zinc/94/22/15/1076942215.db2.gz GDILPBHCLHHOGY-QGZVFWFLSA-N 0 3 405.974 2.958 20 0 HFADHN O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787833789 1076957525 /nfs/dbraw/zinc/95/75/25/1076957525.db2.gz AGKDDZCONLZNHG-FQEVSTJZSA-N 0 3 405.901 2.841 20 0 HFADHN CCOCN(C(=O)CN1CCN(C[C@H]2CCOC2)CC1)c1c(C)cccc1CC ZINC000788023043 1077033789 /nfs/dbraw/zinc/03/37/89/1077033789.db2.gz RZXGQODQSYTORJ-HXUWFJFHSA-N 0 3 403.567 2.539 20 0 HFADHN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244773 1077085699 /nfs/dbraw/zinc/08/56/99/1077085699.db2.gz ITWWRGWNNIJSMF-MSOLQXFVSA-N 0 3 411.568 2.910 20 0 HFADHN C[C@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000772718432 1077099830 /nfs/dbraw/zinc/09/98/30/1077099830.db2.gz JFGHEIRSBKVJIU-KRWDZBQOSA-N 0 3 423.513 2.958 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742953 1077114841 /nfs/dbraw/zinc/11/48/41/1077114841.db2.gz ATJMEXGJWNORGU-HUUCEWRRSA-N 0 3 401.442 2.738 20 0 HFADHN CC(C)(C)OC(=O)N1CCN(CCN2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000788484246 1077192000 /nfs/dbraw/zinc/19/20/00/1077192000.db2.gz YLDLEHDLRWBOCQ-UHFFFAOYSA-N 0 3 422.614 2.700 20 0 HFADHN CCOC(=O)[C@H]1[C@H](NCc2ccc(F)c(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613944 1077228109 /nfs/dbraw/zinc/22/81/09/1077228109.db2.gz YQDIWCJQDWDFJO-RTBURBONSA-N 0 3 423.529 2.918 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)=NO1 ZINC000788621918 1077232152 /nfs/dbraw/zinc/23/21/52/1077232152.db2.gz ZBVNHVVQCGNTOI-HKUYNNGSSA-N 0 3 416.522 2.609 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788629259 1077235755 /nfs/dbraw/zinc/23/57/55/1077235755.db2.gz ZPAWLNZDGIWNBI-QGZVFWFLSA-N 0 3 411.568 2.816 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788681275 1077248633 /nfs/dbraw/zinc/24/86/33/1077248633.db2.gz GCHJZKBRHCMLDB-NRFANRHFSA-N 0 3 423.579 2.912 20 0 HFADHN CCOC(=O)C1([C@@H](C)N[C@H](C)c2n[nH]c(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691164 1077252118 /nfs/dbraw/zinc/25/21/18/1077252118.db2.gz XWFSVIAMMAVFDV-HUUCEWRRSA-N 0 3 423.558 2.987 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754122 1077277252 /nfs/dbraw/zinc/27/72/52/1077277252.db2.gz OTBDBBNLQYPFBR-MSOLQXFVSA-N 0 3 406.523 2.945 20 0 HFADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000791063413 1077286897 /nfs/dbraw/zinc/28/68/97/1077286897.db2.gz ORXGMZIXLAYXCD-UHFFFAOYSA-N 0 3 420.506 2.611 20 0 HFADHN CC(C)(NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777641 1077298848 /nfs/dbraw/zinc/29/88/48/1077298848.db2.gz KWJZDYZESQBGSI-ZBFHGGJFSA-N 0 3 401.429 2.983 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821631 1077309559 /nfs/dbraw/zinc/30/95/59/1077309559.db2.gz YCEUBAUWQFIYTH-FHWLQOOXSA-N 0 3 406.523 2.868 20 0 HFADHN O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000772727132 1077346038 /nfs/dbraw/zinc/34/60/38/1077346038.db2.gz BVIRJPZRSWXPFG-SFHVURJKSA-N 0 3 409.515 2.694 20 0 HFADHN COCCN1CCC(NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000788907901 1077349058 /nfs/dbraw/zinc/34/90/58/1077349058.db2.gz HKJRHRACUDSACT-UHFFFAOYSA-N 0 3 410.946 2.646 20 0 HFADHN O=C(Cc1cccnc1Br)NCc1ccccc1CN1CCC(O)CC1 ZINC000791376333 1077386989 /nfs/dbraw/zinc/38/69/89/1077386989.db2.gz VMTMMXKGTYTHMU-UHFFFAOYSA-N 0 3 418.335 2.660 20 0 HFADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000789059496 1077393903 /nfs/dbraw/zinc/39/39/03/1077393903.db2.gz DEWWXKNDBCXNOQ-KRWDZBQOSA-N 0 3 415.509 2.644 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000789080352 1077399105 /nfs/dbraw/zinc/39/91/05/1077399105.db2.gz WKRYATDADWKPEF-UHFFFAOYSA-N 0 3 422.485 2.869 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3c[nH]nc3-c3ccoc3)cc2)CC1 ZINC000789084141 1077399684 /nfs/dbraw/zinc/39/96/84/1077399684.db2.gz CNLFFEBVPPPAHE-UHFFFAOYSA-N 0 3 423.473 2.607 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000747014011 1077446631 /nfs/dbraw/zinc/44/66/31/1077446631.db2.gz IXYHSADKCRNOFY-UHFFFAOYSA-N 0 3 405.502 2.565 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000791641818 1077506243 /nfs/dbraw/zinc/50/62/43/1077506243.db2.gz LBDZZSJZFPLPAO-WZONZLPQSA-N 0 3 423.513 2.930 20 0 HFADHN COC(=O)C1CCN(C(=O)[C@@H](C)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315222 1077516491 /nfs/dbraw/zinc/51/64/91/1077516491.db2.gz PGXWAGXIEVQIOF-OAHLLOKOSA-N 0 3 423.941 2.626 20 0 HFADHN COc1cc(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)ccc1Cl ZINC000789378626 1077547120 /nfs/dbraw/zinc/54/71/20/1077547120.db2.gz TUWOXDZZVXTOST-UHFFFAOYSA-N 0 3 403.910 2.920 20 0 HFADHN CCOC(=O)C1C(CN2CCC[C@]2(CO)CC(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000789507604 1077601323 /nfs/dbraw/zinc/60/13/23/1077601323.db2.gz SRBUINVXDTWIQA-NFBKMPQASA-N 0 3 415.534 2.731 20 0 HFADHN CCOC(=O)C1=C(CN2CCC[C@]2(CO)CC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000789507604 1077601325 /nfs/dbraw/zinc/60/13/25/1077601325.db2.gz SRBUINVXDTWIQA-NFBKMPQASA-N 0 3 415.534 2.731 20 0 HFADHN Cc1cc2cc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2cn1 ZINC001170108233 1077601380 /nfs/dbraw/zinc/60/13/80/1077601380.db2.gz LRHBPKDXCJZCHX-UHFFFAOYSA-N 0 3 410.543 2.962 20 0 HFADHN CCOC(=O)N1CCN(C(=O)CNC(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000789514180 1077605966 /nfs/dbraw/zinc/60/59/66/1077605966.db2.gz PMFFZXDZYSOVEB-UHFFFAOYSA-N 0 3 417.428 2.711 20 0 HFADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000791974829 1077617715 /nfs/dbraw/zinc/61/77/15/1077617715.db2.gz JLVSCTIAZPORDV-PXNSSMCTSA-N 0 3 423.513 2.998 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000791986379 1077623872 /nfs/dbraw/zinc/62/38/72/1077623872.db2.gz QHSIYTKNBLEGAY-CBQOVEMMSA-N 0 3 417.509 2.648 20 0 HFADHN O=C(NCc1ccc(-n2ccnc2)nc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792007778 1077645961 /nfs/dbraw/zinc/64/59/61/1077645961.db2.gz UPJDGSFSIIWJNY-UHFFFAOYSA-N 0 3 422.455 2.872 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](NC(=O)CC3(N4CCOCC4)CCCC3)C2=O)c(C)c1 ZINC000789717634 1077756144 /nfs/dbraw/zinc/75/61/44/1077756144.db2.gz AGRJZHARGXBTTB-FQEVSTJZSA-N 0 3 413.562 2.868 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cc4c[nH]nc4cc3C)cc2)CC1 ZINC000792282834 1077774284 /nfs/dbraw/zinc/77/42/84/1077774284.db2.gz WKWYXLLAGGLMPJ-UHFFFAOYSA-N 0 3 406.490 2.590 20 0 HFADHN CN(Cc1nnc2ccccn21)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792275161 1077790368 /nfs/dbraw/zinc/79/03/68/1077790368.db2.gz DJXLRXOSBDHTQE-UHFFFAOYSA-N 0 3 410.444 2.676 20 0 HFADHN C[C@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1cccc(N2CCOC2=O)c1 ZINC000792277939 1077791717 /nfs/dbraw/zinc/79/17/17/1077791717.db2.gz XJCRLZUDORWYGN-KRWDZBQOSA-N 0 3 417.531 2.756 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCc4cc(C)ccc4C3)cc2)CC1 ZINC000792299396 1077795596 /nfs/dbraw/zinc/79/55/96/1077795596.db2.gz QWHQVGQJPFTZBU-UHFFFAOYSA-N 0 3 406.530 2.660 20 0 HFADHN CCN(CC)Cc1ccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000792309253 1077800646 /nfs/dbraw/zinc/80/06/46/1077800646.db2.gz XJDBBQIHVGSKSW-UHFFFAOYSA-N 0 3 403.500 2.972 20 0 HFADHN NC(=O)c1ccc(NC(=O)CCN2CCC(Oc3ccc(F)nc3)CC2)cc1Cl ZINC000792387850 1077830454 /nfs/dbraw/zinc/83/04/54/1077830454.db2.gz HJWYPLPHGIUQHU-UHFFFAOYSA-N 0 3 420.872 2.845 20 0 HFADHN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218862 1077910343 /nfs/dbraw/zinc/91/03/43/1077910343.db2.gz WCALJEIJCUNBEE-QZTJIDSGSA-N 0 3 416.591 2.830 20 0 HFADHN CC[C@H]1C[C@@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227963 1077917743 /nfs/dbraw/zinc/91/77/43/1077917743.db2.gz RAUZTBHXOIVDEF-OALUTQOASA-N 0 3 403.548 2.889 20 0 HFADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000790050055 1077930493 /nfs/dbraw/zinc/93/04/93/1077930493.db2.gz XDPREGDYUVSXQT-NVXWUHKLSA-N 0 3 411.568 2.672 20 0 HFADHN CC(C)O[C@H]1C[C@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401235 1077965199 /nfs/dbraw/zinc/96/51/99/1077965199.db2.gz ZIXSYVZXBXADJZ-GJZGRUSLSA-N 0 3 404.479 2.803 20 0 HFADHN CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000790292465 1077987564 /nfs/dbraw/zinc/98/75/64/1077987564.db2.gz KOFGLQGQPPBPHW-GJZGRUSLSA-N 0 3 400.292 2.593 20 0 HFADHN CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001691696239 1077993414 /nfs/dbraw/zinc/99/34/14/1077993414.db2.gz RQQLNKQFSZEXFV-HXUWFJFHSA-N 0 3 418.561 2.612 20 0 HFADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(F)(F)C1CCOCC1 ZINC000790360065 1078003818 /nfs/dbraw/zinc/00/38/18/1078003818.db2.gz YAAXVKIIBDIWDU-UHFFFAOYSA-N 0 3 409.521 2.763 20 0 HFADHN O=C(NCC1(N2CCSCC2)CCCC1)N(CCO)Cc1cccnc1Cl ZINC000792863885 1078010913 /nfs/dbraw/zinc/01/09/13/1078010913.db2.gz UASFOIKMUOGZFC-UHFFFAOYSA-N 0 3 412.987 2.601 20 0 HFADHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790364619 1078014774 /nfs/dbraw/zinc/01/47/74/1078014774.db2.gz AQYMGBDZKNCSIS-CVDCTZTESA-N 0 3 409.534 2.683 20 0 HFADHN C[C@@H]1CC[C@H](N2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135117 1078021722 /nfs/dbraw/zinc/02/17/22/1078021722.db2.gz GLGGZWOAVLKXDT-ZDMKNRLGSA-N 0 3 404.580 2.598 20 0 HFADHN COC(=O)c1c2cnn(CN3CC[C@@H]([C@@H]4CCOC4)C3)c2ccc1Br ZINC000790443408 1078033680 /nfs/dbraw/zinc/03/36/80/1078033680.db2.gz VKEGVVQOZMYBKT-CHWSQXEVSA-N 0 3 408.296 2.901 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988083 1078041856 /nfs/dbraw/zinc/04/18/56/1078041856.db2.gz WPEOYJXNSSWJGH-KKSFZXQISA-N 0 3 413.559 2.738 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000790484623 1078041945 /nfs/dbraw/zinc/04/19/45/1078041945.db2.gz SGZTUAWHXUCCAJ-SFHVURJKSA-N 0 3 402.539 2.630 20 0 HFADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000806239079 1079514940 /nfs/dbraw/zinc/51/49/40/1079514940.db2.gz MXHIAQNNRYBHSY-FCHUYYIVSA-N 0 3 423.561 2.551 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000806254226 1079521968 /nfs/dbraw/zinc/52/19/68/1079521968.db2.gz RENBSQAUMFBGRT-LEWJYISDSA-N 0 3 421.557 2.724 20 0 HFADHN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)CCC2 ZINC000806298522 1079550197 /nfs/dbraw/zinc/55/01/97/1079550197.db2.gz JPQJDSZKTWOFOY-SFHVURJKSA-N 0 3 417.579 2.610 20 0 HFADHN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc3ccccc3)C1)CCC2 ZINC000806299382 1079551863 /nfs/dbraw/zinc/55/18/63/1079551863.db2.gz XZDASHJSVGLVKL-NHCUHLMSSA-N 0 3 423.561 2.691 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000806309388 1079564208 /nfs/dbraw/zinc/56/42/08/1079564208.db2.gz DVPGKUXDEIXEQH-UXHICEINSA-N 0 3 402.539 2.960 20 0 HFADHN C[C@@H]1[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000806293267 1079579639 /nfs/dbraw/zinc/57/96/39/1079579639.db2.gz ZKUKEUACFBWZJP-KUHUBIRLSA-N 0 3 402.445 2.866 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000806412217 1079699404 /nfs/dbraw/zinc/69/94/04/1079699404.db2.gz NMDXOOWWHCWJBA-LJQANCHMSA-N 0 3 420.554 2.997 20 0 HFADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1ccc[nH]1 ZINC000806527261 1079801317 /nfs/dbraw/zinc/80/13/17/1079801317.db2.gz XLCBPKAKMNKVKN-AWEZNQCLSA-N 0 3 421.339 2.545 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342024 1079874540 /nfs/dbraw/zinc/87/45/40/1079874540.db2.gz JRPXQWVMRIAYGZ-NHCUHLMSSA-N 0 3 421.541 2.671 20 0 HFADHN O=C(COc1ccc2ccccc2c1Br)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747342737 1079924477 /nfs/dbraw/zinc/92/44/77/1079924477.db2.gz NWLQRKRGVRLFMC-HOTGVXAUSA-N 0 3 419.319 2.961 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724616 1079948086 /nfs/dbraw/zinc/94/80/86/1079948086.db2.gz YTJPFKZFDVLQQR-FOIQADDNSA-N 0 3 410.518 2.877 20 0 HFADHN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742251 1080005980 /nfs/dbraw/zinc/00/59/80/1080005980.db2.gz PCUNWGUPKDQNHH-KNQAVFIVSA-N 0 3 419.566 2.616 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)N1CCCCC1 ZINC000806856709 1080060528 /nfs/dbraw/zinc/06/05/28/1080060528.db2.gz JNCRTYMXBRHSBR-KBPBESRZSA-N 0 3 401.429 2.945 20 0 HFADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000806918667 1080087902 /nfs/dbraw/zinc/08/79/02/1080087902.db2.gz GDLUHGKVXHRBEC-VIFPVBQESA-N 0 3 406.683 2.781 20 0 HFADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000806919660 1080088290 /nfs/dbraw/zinc/08/82/90/1080088290.db2.gz RVAWJWGTSKTBCU-GFCCVEGCSA-N 0 3 405.296 2.536 20 0 HFADHN O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000807092452 1080272436 /nfs/dbraw/zinc/27/24/36/1080272436.db2.gz VPZJSQTZUIDAML-FCHUYYIVSA-N 0 3 413.562 2.747 20 0 HFADHN CN(CCCN(C)C(=O)NC1CCC(O)(c2cccnc2)CC1)Cc1ccco1 ZINC000807124138 1080296584 /nfs/dbraw/zinc/29/65/84/1080296584.db2.gz VGOXVBNMCGJNTE-UHFFFAOYSA-N 0 3 400.523 2.968 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000807247533 1080404572 /nfs/dbraw/zinc/40/45/72/1080404572.db2.gz XRZGHBBSLPFNIV-RTWAWAEBSA-N 0 3 417.594 2.577 20 0 HFADHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1cccc(I)c1 ZINC001130895084 1080430196 /nfs/dbraw/zinc/43/01/96/1080430196.db2.gz DQRAOFOGPIBDBS-ZDUSSCGKSA-N 0 3 402.276 2.659 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC=C(c4ccco4)C3)cc2)CC1 ZINC000807298322 1080493863 /nfs/dbraw/zinc/49/38/63/1080493863.db2.gz BRBKYMHSPOBREP-UHFFFAOYSA-N 0 3 408.502 2.676 20 0 HFADHN Cc1ccccc1[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000807353828 1080515181 /nfs/dbraw/zinc/51/51/81/1080515181.db2.gz UGCBWNFPRIHJBV-JOCHJYFZSA-N 0 3 409.530 2.967 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000807400831 1080596754 /nfs/dbraw/zinc/59/67/54/1080596754.db2.gz FOAHBJIIJADXMV-YEWWUXTCSA-N 0 3 401.429 2.815 20 0 HFADHN COc1c(Br)cc(CNCCN2CCOCC2)cc1Br ZINC000020967609 568460814 /nfs/dbraw/zinc/46/08/14/568460814.db2.gz LRXXOTYHFVEHQT-UHFFFAOYSA-N 0 3 408.134 2.642 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389890 718824392 /nfs/dbraw/zinc/82/43/92/718824392.db2.gz KLDHHYWVXKKRIB-DLBZAZTESA-N 0 3 413.591 2.733 20 0 HFADHN COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390078 718826111 /nfs/dbraw/zinc/82/61/11/718826111.db2.gz LUBSQZKJQFKPPG-NVXWUHKLSA-N 0 3 410.852 2.918 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnnc(Cl)c3)CC2)CC1 ZINC001164617574 719026643 /nfs/dbraw/zinc/02/66/43/719026643.db2.gz OYMZLGSOBMPTFK-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164689361 719738181 /nfs/dbraw/zinc/73/81/81/719738181.db2.gz CPQKDXWYLOFVSN-UHFFFAOYSA-N 0 3 409.321 2.512 20 0 HFADHN CCOc1ccc(-c2ccc(N3CCC4(CCCN4CC(=O)NC)CC3)nn2)cc1 ZINC001164689890 719746718 /nfs/dbraw/zinc/74/67/18/719746718.db2.gz NTIBCFYMFLAKSH-UHFFFAOYSA-N 0 3 409.534 2.723 20 0 HFADHN Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164696323 719835634 /nfs/dbraw/zinc/83/56/34/719835634.db2.gz SOIVLNHPZNPXMK-FQEVSTJZSA-N 0 3 419.533 2.522 20 0 HFADHN c1ccc2nc(N3CCOCC3)c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164721762 720380614 /nfs/dbraw/zinc/38/06/14/720380614.db2.gz AYOWSRYMMGXTMA-VXKWHMMOSA-N 0 3 416.529 2.715 20 0 HFADHN CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164724240 720401242 /nfs/dbraw/zinc/40/12/42/720401242.db2.gz IMZYFTOZZZDQJU-VQTJNVASSA-N 0 3 401.518 2.853 20 0 HFADHN O=C(C[C@@H]1OC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@H]21)N1CCCCC1 ZINC001164835743 720501953 /nfs/dbraw/zinc/50/19/53/720501953.db2.gz KVFWRUIIPHDLRJ-BDTNDASRSA-N 0 3 412.578 2.921 20 0 HFADHN CCOC(=O)c1cc2ccnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2[nH]1 ZINC001164728055 720558392 /nfs/dbraw/zinc/55/83/92/720558392.db2.gz IKZJJAMBHFSRFO-UHFFFAOYSA-N 0 3 408.506 2.595 20 0 HFADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736785 720681401 /nfs/dbraw/zinc/68/14/01/720681401.db2.gz BGFATUYBOORDRX-OLZOCXBDSA-N 0 3 400.845 2.554 20 0 HFADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736690 720690276 /nfs/dbraw/zinc/69/02/76/720690276.db2.gz ALDQGKIZRJHVBH-IAGOWNOFSA-N 0 3 413.485 2.757 20 0 HFADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843490 720739871 /nfs/dbraw/zinc/73/98/71/720739871.db2.gz LHNGBBIQLIVSIG-UHFFFAOYSA-N 0 3 422.871 2.752 20 0 HFADHN Clc1cccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164738690 720764025 /nfs/dbraw/zinc/76/40/25/720764025.db2.gz GWDHRONNXBAGIL-MSOLQXFVSA-N 0 3 408.893 2.929 20 0 HFADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738233 720781865 /nfs/dbraw/zinc/78/18/65/720781865.db2.gz FGZVOCSWLKDDHZ-GJZGRUSLSA-N 0 3 410.428 2.554 20 0 HFADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)ncn1)[C@@H]2C ZINC001164858088 721014191 /nfs/dbraw/zinc/01/41/91/721014191.db2.gz GBNZYRBOJKXWJQ-MRXNPFEDSA-N 0 3 401.584 2.648 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870436 721042907 /nfs/dbraw/zinc/04/29/07/721042907.db2.gz VWHWPGPHYOVDGM-MSOLQXFVSA-N 0 3 416.909 2.786 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868737 721044137 /nfs/dbraw/zinc/04/41/37/721044137.db2.gz QENZHPQFCUYFDJ-DLBZAZTESA-N 0 3 416.909 2.786 20 0 HFADHN CCOC(=O)/C=C/c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870628 721050380 /nfs/dbraw/zinc/05/03/80/721050380.db2.gz WLGGOHQGVJOOJY-DVFFMCNPSA-N 0 3 408.502 2.533 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164869071 721053789 /nfs/dbraw/zinc/05/37/89/721053789.db2.gz RHWBJPBBVITXTL-IRXDYDNUSA-N 0 3 416.909 2.786 20 0 HFADHN c1ccc(COc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867130 721062278 /nfs/dbraw/zinc/06/22/78/721062278.db2.gz IHCRXZYOEDFWRL-YADHBBJMSA-N 0 3 417.513 2.930 20 0 HFADHN c1ccc(COc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864032 721086173 /nfs/dbraw/zinc/08/61/73/721086173.db2.gz DNPNUIGTRIOHJE-VXKWHMMOSA-N 0 3 417.513 2.930 20 0 HFADHN CC(C)(C)OC(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865649 721088003 /nfs/dbraw/zinc/08/80/03/721088003.db2.gz NWDOVYSWAKSQNM-WOJBJXKFSA-N 0 3 410.518 2.912 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164866951 721097795 /nfs/dbraw/zinc/09/77/95/721097795.db2.gz VLKATCPDRMNNID-GJZGRUSLSA-N 0 3 416.938 2.923 20 0 HFADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164875355 721135911 /nfs/dbraw/zinc/13/59/11/721135911.db2.gz KXVIUAPSMBCDNY-SFTDATJTSA-N 0 3 402.502 2.722 20 0 HFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2)C1 ZINC001164769379 721195502 /nfs/dbraw/zinc/19/55/02/721195502.db2.gz MFFUUSJVAPAYIA-BVYCBKJFSA-N 0 3 422.577 2.646 20 0 HFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2)C1 ZINC001164769387 721196561 /nfs/dbraw/zinc/19/65/61/721196561.db2.gz MFFUUSJVAPAYIA-QIJUGHKUSA-N 0 3 422.577 2.646 20 0 HFADHN COc1cccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164770853 721201518 /nfs/dbraw/zinc/20/15/18/721201518.db2.gz OXKNBECRBASROB-PMACEKPBSA-N 0 3 404.518 2.844 20 0 HFADHN COc1ccc(-c2cc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ncn2)cc1 ZINC001164772871 721210364 /nfs/dbraw/zinc/21/03/64/721210364.db2.gz VTRAALVLGKKNDT-UXHICEINSA-N 0 3 404.518 2.844 20 0 HFADHN c1ncn2c1CN(c1ncccc1CN1CCCC1)C[C@@H](COc1cccnc1)C2 ZINC001164769068 721276340 /nfs/dbraw/zinc/27/63/40/721276340.db2.gz OBFYZBCDAROKFO-LJQANCHMSA-N 0 3 404.518 2.984 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001164887500 721339250 /nfs/dbraw/zinc/33/92/50/721339250.db2.gz UZVJPLOKGCXHGD-UTKZUKDTSA-N 0 3 407.942 2.558 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCC1 ZINC001164900321 721509087 /nfs/dbraw/zinc/50/90/87/721509087.db2.gz QDORNYYDWAHWKU-AZUAARDMSA-N 0 3 410.493 2.799 20 0 HFADHN Cc1nc(N2CCCC2)cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164808996 721532466 /nfs/dbraw/zinc/53/24/66/721532466.db2.gz SXOWWFDOUQVAFW-ZRCGQRJVSA-N 0 3 408.550 2.648 20 0 HFADHN O=C1NCc2c1c(N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)nc(Cl)c2F ZINC001164908112 721538887 /nfs/dbraw/zinc/53/88/87/721538887.db2.gz OSICEIWZUPROKW-JSGCOSHPSA-N 0 3 420.847 2.599 20 0 HFADHN CC(C)c1nc(N(C)C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911542 721541462 /nfs/dbraw/zinc/54/14/62/721541462.db2.gz XCOTXHYAYHONDB-WMZOPIPTSA-N 0 3 400.502 2.542 20 0 HFADHN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccc(CN3CCCC3)cn2)C1 ZINC001164809221 721606545 /nfs/dbraw/zinc/60/65/45/721606545.db2.gz ZGUFWFRSOOHEIC-QHCPKHFHSA-N 0 3 408.550 2.520 20 0 HFADHN CN(C)C(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904184 721699191 /nfs/dbraw/zinc/69/91/91/721699191.db2.gz DQPAQKMKQNYXDA-NRFANRHFSA-N 0 3 415.488 2.916 20 0 HFADHN COc1cc2cnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)cc2cc1OC ZINC001165009644 721746301 /nfs/dbraw/zinc/74/63/01/721746301.db2.gz HISPKYZOUNTVQB-UHFFFAOYSA-N 0 3 412.534 2.775 20 0 HFADHN CN(Cc1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164976610 722090772 /nfs/dbraw/zinc/09/07/72/722090772.db2.gz SCQUPYYWUHDCEZ-XLIONFOSSA-N 0 3 412.559 2.675 20 0 HFADHN COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978281 722100119 /nfs/dbraw/zinc/10/01/19/722100119.db2.gz GOZVRHDNPUWSBB-APWZRJJASA-N 0 3 416.909 2.644 20 0 HFADHN CSc1nc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977206 722100750 /nfs/dbraw/zinc/10/07/50/722100750.db2.gz FBCNYVLHVSKFNZ-HOTGVXAUSA-N 0 3 405.955 2.974 20 0 HFADHN Clc1ccc2c(ncnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980657 722104793 /nfs/dbraw/zinc/10/47/93/722104793.db2.gz JUEMXTKBHONUSF-WMZOPIPTSA-N 0 3 410.909 2.801 20 0 HFADHN COC(=O)c1cc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982864 722106029 /nfs/dbraw/zinc/10/60/29/722106029.db2.gz PQMPOTMKZQIIAY-APWZRJJASA-N 0 3 416.909 2.644 20 0 HFADHN COc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164986427 722106785 /nfs/dbraw/zinc/10/67/85/722106785.db2.gz YZQQRRCAQZHYEV-PGRDOPGGSA-N 0 3 405.502 2.761 20 0 HFADHN F[C@H](Oc1ccnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976313 722108216 /nfs/dbraw/zinc/10/82/16/722108216.db2.gz LENXIFHATMFBTC-QRFRQXIXSA-N 0 3 406.889 2.985 20 0 HFADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CSC2 ZINC001164982731 722108711 /nfs/dbraw/zinc/10/87/11/722108711.db2.gz XUTALWWDVLBPBJ-MAUKXSAKSA-N 0 3 417.966 2.999 20 0 HFADHN CCOc1nc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981879 722109502 /nfs/dbraw/zinc/10/95/02/722109502.db2.gz VJYVAMXMZDSFPJ-IAGOWNOFSA-N 0 3 403.914 2.651 20 0 HFADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)SCC2 ZINC001164976618 722110818 /nfs/dbraw/zinc/11/08/18/722110818.db2.gz LYHOFNCVLJYYQA-RDJZCZTQSA-N 0 3 417.966 2.901 20 0 HFADHN CSc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973316 722117154 /nfs/dbraw/zinc/11/71/54/722117154.db2.gz GZOIQFXOOPRKLX-WBVHZDCISA-N 0 3 405.955 2.974 20 0 HFADHN CSc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973304 722117459 /nfs/dbraw/zinc/11/74/59/722117459.db2.gz GZOIQFXOOPRKLX-DOTOQJQBSA-N 0 3 405.955 2.974 20 0 HFADHN COc1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975623 722118778 /nfs/dbraw/zinc/11/87/78/722118778.db2.gz KBOINCRWEJDADR-GCJKJVERSA-N 0 3 405.502 2.761 20 0 HFADHN Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971951 722120911 /nfs/dbraw/zinc/12/09/11/722120911.db2.gz DZMIANSKPSUCMB-CRAIPNDOSA-N 0 3 423.895 2.984 20 0 HFADHN CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984652 722132783 /nfs/dbraw/zinc/13/27/83/722132783.db2.gz YFWOFKIYGAJMTI-UXHICEINSA-N 0 3 410.518 2.689 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@H]3C2)c1 ZINC001164983860 722139618 /nfs/dbraw/zinc/13/96/18/722139618.db2.gz VWLFFBHOFCWKLX-SFTDATJTSA-N 0 3 408.550 2.589 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000790574039 1078058259 /nfs/dbraw/zinc/05/82/59/1078058259.db2.gz ANJMCJNALHEZMK-INIZCTEOSA-N 0 3 405.543 2.553 20 0 HFADHN CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)c(F)c1 ZINC000790543428 1078059888 /nfs/dbraw/zinc/05/98/88/1078059888.db2.gz RYNQCCREALLRQV-HXUWFJFHSA-N 0 3 404.530 2.980 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000790583658 1078061878 /nfs/dbraw/zinc/06/18/78/1078061878.db2.gz OAAFFFSMPQSEME-MRXNPFEDSA-N 0 3 406.328 2.880 20 0 HFADHN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000790584517 1078062033 /nfs/dbraw/zinc/06/20/33/1078062033.db2.gz SLIQIWVRWKTBNA-RTBURBONSA-N 0 3 405.539 2.555 20 0 HFADHN Cc1nn(C)c2ncc(CNCc3ccc(N4C(=O)N[C@@](C)(C5CC5)C4=O)cc3)cc12 ZINC000790605274 1078065408 /nfs/dbraw/zinc/06/54/08/1078065408.db2.gz BERARPGZNZYLFX-QHCPKHFHSA-N 0 3 418.501 2.791 20 0 HFADHN Cn1cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000793181330 1078095648 /nfs/dbraw/zinc/09/56/48/1078095648.db2.gz BTGSHUFHGDWWMR-QFIPXVFZSA-N 0 3 423.517 2.917 20 0 HFADHN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)ccc21 ZINC000793290328 1078119554 /nfs/dbraw/zinc/11/95/54/1078119554.db2.gz FGJFIWZYHXJHHX-RBUKOAKNSA-N 0 3 415.534 2.967 20 0 HFADHN CS[C@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@@H]1N(C)C ZINC000790823941 1078157250 /nfs/dbraw/zinc/15/72/50/1078157250.db2.gz GQJHGTDBFJOEFH-UWVGGRQHSA-N 0 3 423.174 2.724 20 0 HFADHN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000790896543 1078175595 /nfs/dbraw/zinc/17/55/95/1078175595.db2.gz QJTXRCNLIPPJCM-RBUKOAKNSA-N 0 3 402.539 2.928 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000793519601 1078198186 /nfs/dbraw/zinc/19/81/86/1078198186.db2.gz RRRAJIVHKNACEC-CQSZACIVSA-N 0 3 418.295 2.533 20 0 HFADHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793493082 1078201055 /nfs/dbraw/zinc/20/10/55/1078201055.db2.gz JTEGYQXLDCLJRZ-LBPRGKRZSA-N 0 3 406.568 2.699 20 0 HFADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793726985 1078268223 /nfs/dbraw/zinc/26/82/23/1078268223.db2.gz UXZQCQZLVWLBML-XZOQPEGZSA-N 0 3 423.557 2.560 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCCCC1 ZINC000793719414 1078264311 /nfs/dbraw/zinc/26/43/11/1078264311.db2.gz DWMYVOKZBKVOBL-JXFKEZNVSA-N 0 3 414.937 2.931 20 0 HFADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793726984 1078268133 /nfs/dbraw/zinc/26/81/33/1078268133.db2.gz UXZQCQZLVWLBML-PKTZIBPZSA-N 0 3 423.557 2.560 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436663 1078278082 /nfs/dbraw/zinc/27/80/82/1078278082.db2.gz JMAFXYWUVDVRNP-VGSWGCGISA-N 0 3 401.507 2.824 20 0 HFADHN Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793708966 1078277867 /nfs/dbraw/zinc/27/78/67/1078277867.db2.gz NCWONIOYZUFKJT-OAHLLOKOSA-N 0 3 410.356 2.673 20 0 HFADHN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000793796097 1078300479 /nfs/dbraw/zinc/30/04/79/1078300479.db2.gz WTAJUGKWBHVSRA-MOPGFXCFSA-N 0 3 424.545 2.615 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)c2ccc(C)s2)c1 ZINC000793869424 1078328807 /nfs/dbraw/zinc/32/88/07/1078328807.db2.gz UPBLKZJAWKQLFE-MRXNPFEDSA-N 0 3 403.548 2.833 20 0 HFADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCc1cc(Br)no1 ZINC000793834119 1078321370 /nfs/dbraw/zinc/32/13/70/1078321370.db2.gz DBNABCWIELGGRK-UHFFFAOYSA-N 0 3 422.327 2.643 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001170442897 1078372548 /nfs/dbraw/zinc/37/25/48/1078372548.db2.gz MTLYOOXFDSGERV-IBGZPJMESA-N 0 3 411.550 2.872 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)CC1 ZINC000794324764 1078414312 /nfs/dbraw/zinc/41/43/12/1078414312.db2.gz CESNBZQWSIXJQI-UHFFFAOYSA-N 0 3 402.926 2.512 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000794405487 1078427701 /nfs/dbraw/zinc/42/77/01/1078427701.db2.gz XNFJDJJJBXJQFV-GOSISDBHSA-N 0 3 406.527 2.548 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000794338496 1078419513 /nfs/dbraw/zinc/41/95/13/1078419513.db2.gz GWWMDVVCKKLSCT-UHFFFAOYSA-N 0 3 416.478 2.670 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(OC)cc3F)cc2)CC1 ZINC000804380879 1078440088 /nfs/dbraw/zinc/44/00/88/1078440088.db2.gz JRVRWPYSPPWHJI-UHFFFAOYSA-N 0 3 415.465 2.772 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000794391956 1078434293 /nfs/dbraw/zinc/43/42/93/1078434293.db2.gz DNXPPULWZONCST-IXDOHACOSA-N 0 3 413.559 2.736 20 0 HFADHN Cc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)N2CCCC2)cc1 ZINC000747188314 1078468625 /nfs/dbraw/zinc/46/86/25/1078468625.db2.gz HDZRBDKOILERIW-NQIIRXRSSA-N 0 3 419.529 2.587 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000804442696 1078509226 /nfs/dbraw/zinc/50/92/26/1078509226.db2.gz JVSBIVOFSWSLRS-UHFFFAOYSA-N 0 3 405.543 2.651 20 0 HFADHN CCC(=O)c1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804517298 1078557949 /nfs/dbraw/zinc/55/79/49/1078557949.db2.gz RTHMXHVJSBZXNL-SFHVURJKSA-N 0 3 401.532 2.637 20 0 HFADHN COCCCN(C(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 ZINC001129600364 1078574216 /nfs/dbraw/zinc/57/42/16/1078574216.db2.gz LWMPCEOFJMOHRC-WMZOPIPTSA-N 0 3 415.550 2.541 20 0 HFADHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@H]1CCCN1C ZINC001129906076 1078578388 /nfs/dbraw/zinc/57/83/88/1078578388.db2.gz WABODPORWRTOPR-QZTJIDSGSA-N 0 3 407.580 2.724 20 0 HFADHN CN(CCCCNC(=O)CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC001129628085 1078601468 /nfs/dbraw/zinc/60/14/68/1078601468.db2.gz FOGHXMIYHLLCDE-UHFFFAOYSA-N 0 3 417.369 2.604 20 0 HFADHN COC[C@]1(CNC(=O)c2cccc(CN(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000804794060 1078627895 /nfs/dbraw/zinc/62/78/95/1078627895.db2.gz JYAXITLPLSFPNT-JOCHJYFZSA-N 0 3 405.539 2.894 20 0 HFADHN CCN1CCN([C@@H](C)CNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747224029 1078735714 /nfs/dbraw/zinc/73/57/14/1078735714.db2.gz ODGAFLTUDGKBOA-INIZCTEOSA-N 0 3 406.621 2.778 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000804926680 1078782754 /nfs/dbraw/zinc/78/27/54/1078782754.db2.gz NKSMDZFWIYYMFT-VQTJNVASSA-N 0 3 402.539 2.809 20 0 HFADHN COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000805110754 1078895197 /nfs/dbraw/zinc/89/51/97/1078895197.db2.gz HAIFSCCMUJSNQL-SMDDNHRTSA-N 0 3 421.332 2.844 20 0 HFADHN COC1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074812 1078906607 /nfs/dbraw/zinc/90/66/07/1078906607.db2.gz QBBZJFKOIDQMKR-GQLBNEHISA-N 0 3 401.551 2.892 20 0 HFADHN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747230362 1078949052 /nfs/dbraw/zinc/94/90/52/1078949052.db2.gz QCAYQHYXOWSQJP-FIXSFTCYSA-N 0 3 423.557 2.503 20 0 HFADHN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747232024 1078949966 /nfs/dbraw/zinc/94/99/66/1078949966.db2.gz PTXRFFLQUYTDRD-VSKRKVRLSA-N 0 3 407.514 2.527 20 0 HFADHN Cc1ccc(-n2ncc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231746 1078950719 /nfs/dbraw/zinc/95/07/19/1078950719.db2.gz NFLPGFFYSSUZPH-CVEARBPZSA-N 0 3 408.424 2.793 20 0 HFADHN CN(CCc1ccccc1F)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805196049 1078969944 /nfs/dbraw/zinc/96/99/44/1078969944.db2.gz KQLCCPAWTRVANU-DEOSSOPVSA-N 0 3 411.521 2.998 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1 ZINC000805199136 1078971317 /nfs/dbraw/zinc/97/13/17/1078971317.db2.gz XFCMIQAHEPYOON-JOCHJYFZSA-N 0 3 414.937 2.831 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236403 1078994172 /nfs/dbraw/zinc/99/41/72/1078994172.db2.gz MJOWJKAVDVWMLB-MOPGFXCFSA-N 0 3 406.486 2.506 20 0 HFADHN CCCCCCn1nc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c2ccccc2c1=O ZINC000747236307 1078994658 /nfs/dbraw/zinc/99/46/58/1078994658.db2.gz LIUDQTLXFLOLJS-MSOLQXFVSA-N 0 3 412.534 2.570 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(Cl)cc1Cl ZINC000747243927 1079085310 /nfs/dbraw/zinc/08/53/10/1079085310.db2.gz VWXYSZOLQJQAPR-JTQLQIEISA-N 0 3 407.319 2.543 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805762778 1079265118 /nfs/dbraw/zinc/26/51/18/1079265118.db2.gz UFBHFPGYPAOSFG-OAHLLOKOSA-N 0 3 424.929 2.710 20 0 HFADHN Cc1cc(S(=O)(=O)N(C)C(=O)C2CCN(C3CC3)CC2)ccc1Br ZINC000805874759 1079315322 /nfs/dbraw/zinc/31/53/22/1079315322.db2.gz MOXVRMNBXGTTGY-UHFFFAOYSA-N 0 3 415.353 2.779 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(Cl)cc1Cl ZINC000747276271 1079340140 /nfs/dbraw/zinc/34/01/40/1079340140.db2.gz FGTONUNPJVAWRM-IINYFYTJSA-N 0 3 409.335 2.741 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000805940795 1079343646 /nfs/dbraw/zinc/34/36/46/1079343646.db2.gz CNABHOLNDKYTDC-CVDCTZTESA-N 0 3 423.557 2.595 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000805944456 1079345940 /nfs/dbraw/zinc/34/59/40/1079345940.db2.gz VXPFZDAWSZBYSG-YFLGLAMVSA-N 0 3 423.557 2.570 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2ccccc2SCc2cccs2)CC1=O ZINC001130497560 1079434756 /nfs/dbraw/zinc/43/47/56/1079434756.db2.gz VGPPPOVZUIFFHD-UHFFFAOYSA-N 0 3 403.573 2.886 20 0 HFADHN COc1ccc(OC)c(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001130528786 1079465321 /nfs/dbraw/zinc/46/53/21/1079465321.db2.gz PMNKGOXQYLZSOK-GGAORHGYSA-N 0 3 410.514 2.748 20 0 HFADHN Cc1ccc(Br)nc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000787303095 1076749978 /nfs/dbraw/zinc/74/99/78/1076749978.db2.gz JPADPQLFFHMEFP-HXUWFJFHSA-N 0 3 418.335 2.862 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787315819 1076759825 /nfs/dbraw/zinc/75/98/25/1076759825.db2.gz XGWUEIOXOZZUCC-TWEIKEKHSA-N 0 3 401.551 2.712 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326649 1076769286 /nfs/dbraw/zinc/76/92/86/1076769286.db2.gz QBTUGEYEIIGQKP-QZTJIDSGSA-N 0 3 424.586 2.671 20 0 HFADHN O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N1CCN2CCC1CC2 ZINC000787522787 1076846574 /nfs/dbraw/zinc/84/65/74/1076846574.db2.gz BYQLPICADVEMAH-UHFFFAOYSA-N 0 3 405.498 2.832 20 0 HFADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787659724 1076902366 /nfs/dbraw/zinc/90/23/66/1076902366.db2.gz XPDRZTPSQUOISM-GOSISDBHSA-N 0 3 407.873 2.637 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787670308 1076905495 /nfs/dbraw/zinc/90/54/95/1076905495.db2.gz JCEDOTZIVSYTBC-KRWDZBQOSA-N 0 3 409.571 2.735 20 0 HFADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000787753396 1076927410 /nfs/dbraw/zinc/92/74/10/1076927410.db2.gz YLMPEWKVXXLYJI-UONOGXRCSA-N 0 3 401.429 2.753 20 0 HFADHN CC(C)(C)OC(=O)N1CC(N[C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754320 1076928029 /nfs/dbraw/zinc/92/80/29/1076928029.db2.gz LMOCPRAJEOBTSU-SJORKVTESA-N 0 3 411.543 2.610 20 0 HFADHN Cn1cc(CN[C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761336 1076929908 /nfs/dbraw/zinc/92/99/08/1076929908.db2.gz JQYQLWZLKKOBKS-LSDHHAIUSA-N 0 3 418.460 2.943 20 0 HFADHN CC(C)(C)OC(=O)NC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787729510 1076932885 /nfs/dbraw/zinc/93/28/85/1076932885.db2.gz INMOTJJYPWOOLW-IERDGZPVSA-N 0 3 413.559 2.736 20 0 HFADHN CC1(C(=O)OCC(=O)NC(=O)NC2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000772708074 1076956139 /nfs/dbraw/zinc/95/61/39/1076956139.db2.gz BUCORCNOKBUGLP-UHFFFAOYSA-N 0 3 401.507 2.600 20 0 HFADHN COc1cc([C@@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1OC(C)C ZINC000787869295 1076966558 /nfs/dbraw/zinc/96/65/58/1076966558.db2.gz BAQARPIWJKNDDH-DLBZAZTESA-N 0 3 405.539 2.650 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccncc3)cc2)CC1 ZINC000788135319 1077062286 /nfs/dbraw/zinc/06/22/86/1077062286.db2.gz MORTYBHHYSQSAK-IBGZPJMESA-N 0 3 424.545 2.516 20 0 HFADHN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244776 1077085754 /nfs/dbraw/zinc/08/57/54/1077085754.db2.gz ITWWRGWNNIJSMF-QZTJIDSGSA-N 0 3 411.568 2.910 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCSC(C)(C)C ZINC000788364447 1077127867 /nfs/dbraw/zinc/12/78/67/1077127867.db2.gz OABZAKUDOYCBSG-UHFFFAOYSA-N 0 3 401.523 2.503 20 0 HFADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000790925695 1077233860 /nfs/dbraw/zinc/23/38/60/1077233860.db2.gz DWMQJEUSCLBGLF-CADBVGFASA-N 0 3 416.566 2.618 20 0 HFADHN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788676421 1077246090 /nfs/dbraw/zinc/24/60/90/1077246090.db2.gz UCYLRUNVHDCVNP-YJBOKZPZSA-N 0 3 411.568 2.672 20 0 HFADHN CN(C)[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)Cc1ccccc1 ZINC000788688851 1077251733 /nfs/dbraw/zinc/25/17/33/1077251733.db2.gz MHINKQIKHFZMRM-VXKWHMMOSA-N 0 3 408.546 2.602 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000790967871 1077258034 /nfs/dbraw/zinc/25/80/34/1077258034.db2.gz KOQZUSJPVGHEMD-GFCCVEGCSA-N 0 3 417.735 2.673 20 0 HFADHN CCCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000790976234 1077268794 /nfs/dbraw/zinc/26/87/94/1077268794.db2.gz YYZJGVNQDJQGRK-GOSISDBHSA-N 0 3 403.523 2.819 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777740 1077298533 /nfs/dbraw/zinc/29/85/33/1077298533.db2.gz LORQLLKQQVDNQV-OWCLPIDISA-N 0 3 413.349 2.735 20 0 HFADHN C[C@H](NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820280 1077308247 /nfs/dbraw/zinc/30/82/47/1077308247.db2.gz UIGQIMWLSUJVOM-DZGCQCFKSA-N 0 3 418.460 2.921 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148096 1077308636 /nfs/dbraw/zinc/30/86/36/1077308636.db2.gz ZXUFUUHSTGQQLF-DLBZAZTESA-N 0 3 407.559 2.565 20 0 HFADHN CC(C)(C)[S@@](=O)CCNCc1ccc(Br)cc1N1CCOCC1 ZINC000788962162 1077364168 /nfs/dbraw/zinc/36/41/68/1077364168.db2.gz GUOORNDOTSKKAC-QHCPKHFHSA-N 0 3 403.386 2.923 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000791334538 1077377517 /nfs/dbraw/zinc/37/75/17/1077377517.db2.gz BAMIBTRBBVWBNG-KTKRTIGZSA-N 0 3 421.501 2.657 20 0 HFADHN CCOC1CC(CC(=O)OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000789152822 1077436066 /nfs/dbraw/zinc/43/60/66/1077436066.db2.gz RPSBPLRYGJXODH-UHFFFAOYSA-N 0 3 403.523 2.515 20 0 HFADHN CN1CCN(Cc2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2)CC1 ZINC000789197535 1077456836 /nfs/dbraw/zinc/45/68/36/1077456836.db2.gz VKUDSWASBKJHAP-UHFFFAOYSA-N 0 3 400.567 2.780 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@H](N(C)C)Cc4ccccc43)C2)c1 ZINC000791584053 1077472084 /nfs/dbraw/zinc/47/20/84/1077472084.db2.gz MOCXVQUQKYBDDW-ZHRRBRCNSA-N 0 3 409.486 2.716 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000791641816 1077506268 /nfs/dbraw/zinc/50/62/68/1077506268.db2.gz LBDZZSJZFPLPAO-JPYJTQIMSA-N 0 3 423.513 2.930 20 0 HFADHN Cc1ccncc1CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600453 1077506973 /nfs/dbraw/zinc/50/69/73/1077506973.db2.gz UMNXAUKKUZDNDO-RBKMHILSSA-N 0 3 403.526 2.898 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000791716809 1077537614 /nfs/dbraw/zinc/53/76/14/1077537614.db2.gz HJFHIRRWPGJHNH-UHFFFAOYSA-N 0 3 407.518 2.969 20 0 HFADHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000789361685 1077538239 /nfs/dbraw/zinc/53/82/39/1077538239.db2.gz CALLSRJZZICHTI-HNNXBMFYSA-N 0 3 400.479 2.501 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000789406184 1077562350 /nfs/dbraw/zinc/56/23/50/1077562350.db2.gz VZJGDIHAGZEGLM-UHFFFAOYSA-N 0 3 410.852 2.851 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1ccccc1Cl ZINC000791842116 1077581930 /nfs/dbraw/zinc/58/19/30/1077581930.db2.gz HUPZQHLQCFILAC-UHFFFAOYSA-N 0 3 405.930 2.802 20 0 HFADHN CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCCN2CCN(C(C)C)CC2)c1 ZINC000791881957 1077585147 /nfs/dbraw/zinc/58/51/47/1077585147.db2.gz BZUVJCDPFWKOEA-UHFFFAOYSA-N 0 3 416.971 2.707 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000791986380 1077623840 /nfs/dbraw/zinc/62/38/40/1077623840.db2.gz QHSIYTKNBLEGAY-VCOUNFBDSA-N 0 3 417.509 2.648 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(F)(F)c3ccccc3)cc2)CC1 ZINC000789612958 1077708848 /nfs/dbraw/zinc/70/88/48/1077708848.db2.gz FWGXUKGZIRFYGG-UHFFFAOYSA-N 0 3 416.472 2.675 20 0 HFADHN O=C(NC[C@@H]1COC2(CCCC2)O1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792159339 1077726367 /nfs/dbraw/zinc/72/63/67/1077726367.db2.gz PJJDVUARTBQHIF-UYSNPLJNSA-N 0 3 405.461 2.777 20 0 HFADHN CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000792234827 1077757251 /nfs/dbraw/zinc/75/72/51/1077757251.db2.gz GQFJIZUBIONMRC-XLIONFOSSA-N 0 3 418.607 2.864 20 0 HFADHN O=C(Nc1ccc(Br)cn1)C1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792242065 1077762129 /nfs/dbraw/zinc/76/21/29/1077762129.db2.gz NPLWSHOFLMHTNA-OAHLLOKOSA-N 0 3 422.323 2.980 20 0 HFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nc(Br)ccc1F ZINC000792285683 1077775540 /nfs/dbraw/zinc/77/55/40/1077775540.db2.gz OECXVFGNIROMHK-ZBFHGGJFSA-N 0 3 422.298 2.596 20 0 HFADHN CCC[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255295 1077781890 /nfs/dbraw/zinc/78/18/90/1077781890.db2.gz POVQECCHIRYQRF-GUDVDZBRSA-N 0 3 404.551 2.744 20 0 HFADHN C[C@@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1cccc(N2CCOC2=O)c1 ZINC000792277940 1077791935 /nfs/dbraw/zinc/79/19/35/1077791935.db2.gz XJCRLZUDORWYGN-QGZVFWFLSA-N 0 3 417.531 2.756 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000789809305 1077819893 /nfs/dbraw/zinc/81/98/93/1077819893.db2.gz PPMWANOZQFZIGV-LEWJYISDSA-N 0 3 410.493 2.578 20 0 HFADHN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000772794367 1077820572 /nfs/dbraw/zinc/82/05/72/1077820572.db2.gz CHDKPLOTPSQECD-LJQANCHMSA-N 0 3 403.523 2.946 20 0 HFADHN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000772795252 1077829170 /nfs/dbraw/zinc/82/91/70/1077829170.db2.gz QDJBVSQVRNAHJV-WOJBJXKFSA-N 0 3 423.340 2.952 20 0 HFADHN COCCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CC[C@H](C)C1 ZINC000792461980 1077858606 /nfs/dbraw/zinc/85/86/06/1077858606.db2.gz BKSOSQRPAODVCJ-FXAWDEMLSA-N 0 3 419.541 2.814 20 0 HFADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2ccccc2[C@H]1C ZINC001157702772 1077908294 /nfs/dbraw/zinc/90/82/94/1077908294.db2.gz CWVDWQYLNXPAQK-VSDWSMLSSA-N 0 3 423.557 2.939 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000790019073 1077915861 /nfs/dbraw/zinc/91/58/61/1077915861.db2.gz PGWZYZHNNSGXPM-UHFFFAOYSA-N 0 3 421.441 2.770 20 0 HFADHN COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264825 1077921452 /nfs/dbraw/zinc/92/14/52/1077921452.db2.gz ZADJHFYTTCIOJD-LPHOPBHVSA-N 0 3 412.486 2.730 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccccc1-c1nccs1 ZINC000790048455 1077928481 /nfs/dbraw/zinc/92/84/81/1077928481.db2.gz NYPNROYDLWWLQH-UHFFFAOYSA-N 0 3 406.533 2.953 20 0 HFADHN C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114374 1077942266 /nfs/dbraw/zinc/94/22/66/1077942266.db2.gz QAJNQMWSYTXDJV-GDBMZVCRSA-N 0 3 403.556 2.903 20 0 HFADHN C[C@@H]1CC[C@@H](N2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135116 1078021827 /nfs/dbraw/zinc/02/18/27/1078021827.db2.gz GLGGZWOAVLKXDT-XWCCPHMRSA-N 0 3 404.580 2.598 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cn1 ZINC000790420176 1078022249 /nfs/dbraw/zinc/02/22/49/1078022249.db2.gz GSQDMQHAALHSKF-UCNVEGJOSA-N 0 3 411.550 2.773 20 0 HFADHN COC(=O)c1c2cnn(CN3CC[C@H]([C@H]4CCOC4)C3)c2ccc1Br ZINC000790443415 1078033717 /nfs/dbraw/zinc/03/37/17/1078033717.db2.gz VKEGVVQOZMYBKT-STQMWFEESA-N 0 3 408.296 2.901 20 0 HFADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000806239082 1079514823 /nfs/dbraw/zinc/51/48/23/1079514823.db2.gz MXHIAQNNRYBHSY-YADHBBJMSA-N 0 3 423.561 2.551 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000806270964 1079532960 /nfs/dbraw/zinc/53/29/60/1079532960.db2.gz KGYAWMFFFKPGKY-VQIMIIECSA-N 0 3 413.440 2.961 20 0 HFADHN C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000747311675 1079545073 /nfs/dbraw/zinc/54/50/73/1079545073.db2.gz NFJMRWTWPIYJMF-INIZCTEOSA-N 0 3 401.532 2.557 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000806308542 1079562478 /nfs/dbraw/zinc/56/24/78/1079562478.db2.gz UVCRRFMRYALCCS-VQTJNVASSA-N 0 3 404.555 2.858 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000806431074 1079677456 /nfs/dbraw/zinc/67/74/56/1079677456.db2.gz KZTJJIXMCACZIP-HXUWFJFHSA-N 0 3 417.554 2.961 20 0 HFADHN CN1CCN(CCCCNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806450616 1079722152 /nfs/dbraw/zinc/72/21/52/1079722152.db2.gz YAIVDJBPGPIVAZ-UHFFFAOYSA-N 0 3 401.374 2.540 20 0 HFADHN CN(C)C[C@@H](NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1 ZINC000806593219 1079835136 /nfs/dbraw/zinc/83/51/36/1079835136.db2.gz GSVKVVQXLUICAT-GOSISDBHSA-N 0 3 424.567 2.665 20 0 HFADHN CNC(=O)OC[C@@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000806600664 1079843937 /nfs/dbraw/zinc/84/39/37/1079843937.db2.gz XGFHNWHBCCQGNI-IBGZPJMESA-N 0 3 404.580 2.736 20 0 HFADHN O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747340542 1079901249 /nfs/dbraw/zinc/90/12/49/1079901249.db2.gz BCOMGZQLVFYUKV-HKUYNNGSSA-N 0 3 419.319 2.961 20 0 HFADHN Cc1cc(I)cc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000806684177 1079912307 /nfs/dbraw/zinc/91/23/07/1079912307.db2.gz RPVCOTYZZDVPQB-LSDHHAIUSA-N 0 3 415.275 2.584 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738408 1079929562 /nfs/dbraw/zinc/92/95/62/1079929562.db2.gz CZDCRETXIUQSBA-CKEIUWERSA-N 0 3 402.322 2.579 20 0 HFADHN COc1cccc(OCCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130732707 1079970247 /nfs/dbraw/zinc/97/02/47/1079970247.db2.gz BBLPISLTHZSYNQ-GOTSBHOMSA-N 0 3 410.514 2.966 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC001130742204 1080005588 /nfs/dbraw/zinc/00/55/88/1080005588.db2.gz NCJRPVHRKIPYPV-UHFFFAOYSA-N 0 3 420.554 2.556 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@]34CCO[C@H]3CCCC4)cc2)CC1 ZINC001130742171 1080005690 /nfs/dbraw/zinc/00/56/90/1080005690.db2.gz LPKREAAZTHHDML-GMAHTHKFSA-N 0 3 401.551 2.991 20 0 HFADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001130758078 1080043456 /nfs/dbraw/zinc/04/34/56/1080043456.db2.gz RZCOUVPJTTZLMZ-HOJAQTOUSA-N 0 3 415.534 2.765 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)Nc3cn(C)nc3Br)cc2)CC1 ZINC001130777082 1080103801 /nfs/dbraw/zinc/10/38/01/1080103801.db2.gz OTCKCXZQGUXMAL-UHFFFAOYSA-N 0 3 406.328 2.965 20 0 HFADHN COc1ccc(C2=NO[C@H](CNC(=O)N[C@H](CN(C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213637 1080364404 /nfs/dbraw/zinc/36/44/04/1080364404.db2.gz IPVCVEYJFGGPHC-PZJWPPBQSA-N 0 3 414.481 2.929 20 0 HFADHN COc1ccc(C2=NO[C@H](CNC(=O)N[C@@H](CN(C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213635 1080364553 /nfs/dbraw/zinc/36/45/53/1080364553.db2.gz IPVCVEYJFGGPHC-FPOVZHCZSA-N 0 3 414.481 2.929 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000807247530 1080404615 /nfs/dbraw/zinc/40/46/15/1080404615.db2.gz XRZGHBBSLPFNIV-LEWJYISDSA-N 0 3 417.594 2.577 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000807247531 1080404678 /nfs/dbraw/zinc/40/46/78/1080404678.db2.gz XRZGHBBSLPFNIV-NHCUHLMSSA-N 0 3 417.594 2.577 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000807331807 1080531370 /nfs/dbraw/zinc/53/13/70/1080531370.db2.gz HLFKHTKBKFZKNJ-UHFFFAOYSA-N 0 3 404.580 2.513 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000807331742 1080531790 /nfs/dbraw/zinc/53/17/90/1080531790.db2.gz GMTLCCPQPNTBCT-KDURUIRLSA-N 0 3 416.566 2.573 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)C(=O)Nc3ccc(F)c([C@H](C)O)c3)c2)CC1 ZINC000807398564 1080594233 /nfs/dbraw/zinc/59/42/33/1080594233.db2.gz XJHSWXJNUJMFTQ-HNNXBMFYSA-N 0 3 414.481 2.598 20 0 HFADHN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)[C@H](c1ccccc1)N(C)C ZINC000807402717 1080597748 /nfs/dbraw/zinc/59/77/48/1080597748.db2.gz LJSPOTSRSFKUMO-MCNSAMFCSA-N 0 3 401.507 2.805 20 0 HFADHN COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C[C@H]2O ZINC000807402674 1080598118 /nfs/dbraw/zinc/59/81/18/1080598118.db2.gz KQUCMRSTCCSFNA-LDJQZATESA-N 0 3 413.518 2.954 20 0 HFADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807487441 1080671350 /nfs/dbraw/zinc/67/13/50/1080671350.db2.gz WSZNRTWRSNVNJV-SFHVURJKSA-N 0 3 423.435 2.864 20 0 HFADHN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21 ZINC000005005711 132298190 /nfs/dbraw/zinc/29/81/90/132298190.db2.gz IKQVLBSDNCLLKI-UHFFFAOYSA-N 0 3 405.564 2.625 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164689358 719750973 /nfs/dbraw/zinc/75/09/73/719750973.db2.gz CNZPHVDLRQHSHZ-UHFFFAOYSA-N 0 3 411.575 2.950 20 0 HFADHN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ncccc1CN1CCCC1)C2 ZINC001164696271 719835551 /nfs/dbraw/zinc/83/55/51/719835551.db2.gz RJXYZFIRANSOLQ-HXUWFJFHSA-N 0 3 419.533 2.522 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164704293 719885681 /nfs/dbraw/zinc/88/56/81/719885681.db2.gz UZYLFYSMYNMVSX-FVQBIDKESA-N 0 3 401.898 2.593 20 0 HFADHN Clc1nc2[n-]cnc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699799 719886892 /nfs/dbraw/zinc/88/68/92/719886892.db2.gz ISMCNHKWPSFLSE-UHFFFAOYSA-N 0 3 404.927 2.939 20 0 HFADHN Clc1nc2[n-]cnc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164699799 719886894 /nfs/dbraw/zinc/88/68/94/719886894.db2.gz ISMCNHKWPSFLSE-UHFFFAOYSA-N 0 3 404.927 2.939 20 0 HFADHN c1cc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729884 720348246 /nfs/dbraw/zinc/34/82/46/720348246.db2.gz YTUBGJSIXNZSMY-OALUTQOASA-N 0 3 422.558 2.776 20 0 HFADHN O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c3)cc21 ZINC001164729034 720376820 /nfs/dbraw/zinc/37/68/20/720376820.db2.gz UVEACVQTJRYQPR-FCHUYYIVSA-N 0 3 414.513 2.611 20 0 HFADHN O=C(C[C@@H]1OC[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]21)N1CCCCC1 ZINC001164835745 720501710 /nfs/dbraw/zinc/50/17/10/720501710.db2.gz KVFWRUIIPHDLRJ-FSSWDIPSSA-N 0 3 412.578 2.921 20 0 HFADHN CN(Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)nc1)C1CC1 ZINC001164836101 720502801 /nfs/dbraw/zinc/50/28/01/720502801.db2.gz MOPAABMQBZAFMU-CEMLEFRQSA-N 0 3 412.578 2.920 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164737121 720692209 /nfs/dbraw/zinc/69/22/09/720692209.db2.gz DMOYOSFNLLVTNT-SJORKVTESA-N 0 3 419.485 2.543 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164737119 720692304 /nfs/dbraw/zinc/69/23/04/720692304.db2.gz DMOYOSFNLLVTNT-IAGOWNOFSA-N 0 3 419.485 2.543 20 0 HFADHN Clc1cccc(-c2cccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164739251 720699753 /nfs/dbraw/zinc/69/97/53/720699753.db2.gz MKVKIPGOSWDGLT-HZPDHXFCSA-N 0 3 408.893 2.929 20 0 HFADHN c1cn(C2CCCC2)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737797 720709943 /nfs/dbraw/zinc/70/99/43/720709943.db2.gz GYFPNEIXKFYXQV-MSOLQXFVSA-N 0 3 405.506 2.678 20 0 HFADHN CCc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164741127 720758376 /nfs/dbraw/zinc/75/83/76/720758376.db2.gz MIMZQBIWHCKFLQ-GJZGRUSLSA-N 0 3 422.558 2.874 20 0 HFADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749279 720801733 /nfs/dbraw/zinc/80/17/33/720801733.db2.gz SXTWWNSCOLYWPK-RBUKOAKNSA-N 0 3 406.465 2.723 20 0 HFADHN c1ccc(SCc2nccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164749813 720802313 /nfs/dbraw/zinc/80/23/13/720802313.db2.gz UOQVMYZWOQSLHL-ROUUACIJSA-N 0 3 420.542 2.901 20 0 HFADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869985 721070376 /nfs/dbraw/zinc/07/03/76/721070376.db2.gz VBMQSTVLWWXUJI-HOTGVXAUSA-N 0 3 415.925 2.770 20 0 HFADHN c1ccc(COc2cnnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164864838 721102529 /nfs/dbraw/zinc/10/25/29/721102529.db2.gz GSBWWHNFGNWDEB-JTHBVZDNSA-N 0 3 417.513 2.930 20 0 HFADHN CCOC(=O)/C=C\c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865316 721111406 /nfs/dbraw/zinc/11/14/06/721111406.db2.gz JUWLWMSNFHZUPF-MDCAWNJWSA-N 0 3 408.502 2.533 20 0 HFADHN CCCN(CCC)c1cncc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865151 721117086 /nfs/dbraw/zinc/11/70/86/721117086.db2.gz IUAANEQOIUDHFB-NHCUHLMSSA-N 0 3 410.566 2.978 20 0 HFADHN c1ccc(COc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)cn2)cc1 ZINC001164863726 721120712 /nfs/dbraw/zinc/12/07/12/721120712.db2.gz DALKTZPPZICYGZ-FGZHOGPDSA-N 0 3 417.513 2.930 20 0 HFADHN CC1CCN(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164877651 721150437 /nfs/dbraw/zinc/15/04/37/721150437.db2.gz POKVEQCTTURBDF-RTWAWAEBSA-N 0 3 408.550 2.588 20 0 HFADHN COc1cc2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164763451 721155935 /nfs/dbraw/zinc/15/59/35/721155935.db2.gz GBQPUVBUEDHUGR-MOPGFXCFSA-N 0 3 407.518 2.944 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876520 721161653 /nfs/dbraw/zinc/16/16/53/721161653.db2.gz MZWOOWGUOXZKBK-LEWJYISDSA-N 0 3 402.502 2.722 20 0 HFADHN COC(=O)C[C@H](c1ccnc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1)C1CC1 ZINC001164762732 721190790 /nfs/dbraw/zinc/19/07/90/721190790.db2.gz DMZUGBLZUCURIP-VSKRKVRLSA-N 0 3 423.561 2.830 20 0 HFADHN CC1CCN(C(=O)c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2)CC1 ZINC001164766997 721198185 /nfs/dbraw/zinc/19/81/85/721198185.db2.gz JVEMCBCTVWTSQQ-YADHBBJMSA-N 0 3 422.577 2.646 20 0 HFADHN CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2)n1 ZINC001164773824 721223022 /nfs/dbraw/zinc/22/30/22/721223022.db2.gz XFGKEVMIBUPZMX-RBUKOAKNSA-N 0 3 407.522 2.947 20 0 HFADHN Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164774450 721223681 /nfs/dbraw/zinc/22/36/81/721223681.db2.gz ZKIOKTLLPMFHAF-VQTJNVASSA-N 0 3 403.534 2.847 20 0 HFADHN COC(=O)c1cccc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)ccc21 ZINC001164770816 721225233 /nfs/dbraw/zinc/22/52/33/721225233.db2.gz OOHHQIMOEYBMBA-ZWKOTPCHSA-N 0 3 405.502 2.713 20 0 HFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887836 721447890 /nfs/dbraw/zinc/44/78/90/721447890.db2.gz KJPTXFSDIDOXTN-UUOWRZLLSA-N 0 3 409.578 2.817 20 0 HFADHN CCOC(=O)c1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900113 721510684 /nfs/dbraw/zinc/51/06/84/721510684.db2.gz OFVGJCWIIXBDCF-GOEBONIOSA-N 0 3 420.872 2.788 20 0 HFADHN CC(C)c1nc(N(C)C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911537 721541543 /nfs/dbraw/zinc/54/15/43/721541543.db2.gz XCOTXHYAYHONDB-FUHWJXTLSA-N 0 3 400.502 2.542 20 0 HFADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncc5ncnc(Cl)c5n4)CCN3C2)c1 ZINC001164910228 721544759 /nfs/dbraw/zinc/54/47/59/721544759.db2.gz TVTXTXYRQDWBPX-DZGCQCFKSA-N 0 3 400.845 2.554 20 0 HFADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2C1 ZINC001164903554 721564450 /nfs/dbraw/zinc/56/44/50/721564450.db2.gz CHATWEZKYGTUPO-RDJZCZTQSA-N 0 3 417.916 2.599 20 0 HFADHN CCNC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164908579 721722744 /nfs/dbraw/zinc/72/27/44/721722744.db2.gz YFVSWCOZXDBOOS-NRFANRHFSA-N 0 3 415.488 2.964 20 0 HFADHN Cc1cc(C(N)=O)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912782 721736247 /nfs/dbraw/zinc/73/62/47/721736247.db2.gz QBQOLHFIRLEPQT-FQEVSTJZSA-N 0 3 401.461 2.622 20 0 HFADHN CCOC(=O)c1ccc(C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977252 722098961 /nfs/dbraw/zinc/09/89/61/722098961.db2.gz FKGVRFONTDBLIA-CTNGQTDRSA-N 0 3 410.518 2.689 20 0 HFADHN CCOC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1C ZINC001164972487 722122586 /nfs/dbraw/zinc/12/25/86/722122586.db2.gz FRYLJFQSSPPORB-CTNGQTDRSA-N 0 3 410.518 2.689 20 0 HFADHN FC(F)(c1nccnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978066 722136247 /nfs/dbraw/zinc/13/62/47/722136247.db2.gz JMEKBMMCVJWIFY-JKSUJKDBSA-N 0 3 409.868 2.797 20 0 HFADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164992043 722187699 /nfs/dbraw/zinc/18/76/99/722187699.db2.gz RKTWMCWBIMKPKQ-FQEVSTJZSA-N 0 3 400.567 2.779 20 0 HFADHN O=C(N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(F)(F)C1CCOCC1 ZINC000790549084 1078053712 /nfs/dbraw/zinc/05/37/12/1078053712.db2.gz UYBGGOBHMFDMDX-SFHVURJKSA-N 0 3 422.520 2.504 20 0 HFADHN O=C(Nc1cccc(F)n1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000793071640 1078062537 /nfs/dbraw/zinc/06/25/37/1078062537.db2.gz IYJAHVDBAWSNST-VQTJNVASSA-N 0 3 418.472 2.944 20 0 HFADHN COc1cnccc1N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000793054614 1078057412 /nfs/dbraw/zinc/05/74/12/1078057412.db2.gz MROGSDWRKUCXFR-IBGZPJMESA-N 0 3 409.534 2.899 20 0 HFADHN COC(=O)[C@H](COCc1ccccc1)Nc1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001170142357 1078093345 /nfs/dbraw/zinc/09/33/45/1078093345.db2.gz OVLZMLLUSKKWLK-NRFANRHFSA-N 0 3 412.534 2.782 20 0 HFADHN Cc1cc(C)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1I ZINC000793290817 1078119548 /nfs/dbraw/zinc/11/95/48/1078119548.db2.gz IAFWZSJQCQRUDK-KGLIPLIRSA-N 0 3 414.287 2.501 20 0 HFADHN O=C(CCc1cnc[nH]1)Nc1ccc2nc(NC(=O)CCc3c[nH]cn3)ccc2c1 ZINC000793390204 1078164241 /nfs/dbraw/zinc/16/42/41/1078164241.db2.gz LWGIWCJWBBOKGX-UHFFFAOYSA-N 0 3 403.446 2.824 20 0 HFADHN O=C(CCc1c[nH]cn1)Nc1ccc2nc(NC(=O)CCc3cnc[nH]3)ccc2c1 ZINC000793390204 1078164242 /nfs/dbraw/zinc/16/42/42/1078164242.db2.gz LWGIWCJWBBOKGX-UHFFFAOYSA-N 0 3 403.446 2.824 20 0 HFADHN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)CN(CC)CC)c1 ZINC000790880831 1078169445 /nfs/dbraw/zinc/16/94/45/1078169445.db2.gz RNONACHQHLJUCK-GFCCVEGCSA-N 0 3 421.357 2.634 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC000793514500 1078196715 /nfs/dbraw/zinc/19/67/15/1078196715.db2.gz DHJRFPGKCVQLPJ-IBGZPJMESA-N 0 3 411.502 2.620 20 0 HFADHN COc1cc([C@H](C)N[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570203 1078212156 /nfs/dbraw/zinc/21/21/56/1078212156.db2.gz PGMCPHGRJIXNML-NORZTCDRSA-N 0 3 409.495 2.500 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000793635954 1078236301 /nfs/dbraw/zinc/23/63/01/1078236301.db2.gz JFTBBPQCDMVNKB-CVDCTZTESA-N 0 3 423.557 2.946 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000793651421 1078241420 /nfs/dbraw/zinc/24/14/20/1078241420.db2.gz MTNKVNZSYXACOU-KOSHJBKYSA-N 0 3 409.530 2.527 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000793715504 1078262073 /nfs/dbraw/zinc/26/20/73/1078262073.db2.gz ZIQSQGPCZWJEQO-DOTOQJQBSA-N 0 3 400.548 2.950 20 0 HFADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793717273 1078263268 /nfs/dbraw/zinc/26/32/68/1078263268.db2.gz ILXDFIVILYNRSD-QFIPXVFZSA-N 0 3 411.521 2.821 20 0 HFADHN Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)CN(C)C)CC2)cc1 ZINC000793717626 1078263914 /nfs/dbraw/zinc/26/39/14/1078263914.db2.gz IOROYWZRZGEFGE-HSZRJFAPSA-N 0 3 405.542 2.900 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC1(c2c(F)cccc2F)CCCC1)N1CCCCC1 ZINC000793721412 1078265138 /nfs/dbraw/zinc/26/51/38/1078265138.db2.gz JIFQLZXDQBONCF-INIZCTEOSA-N 0 3 407.505 2.883 20 0 HFADHN COc1ccc2oc([C@H](C)NC(=O)C(=O)NC[C@H](C)N3CCCCC3)c(C)c2c1 ZINC000793720986 1078265585 /nfs/dbraw/zinc/26/55/85/1078265585.db2.gz RTZSUVCTZZXOIP-HOCLYGCPSA-N 0 3 401.507 2.918 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1)N1CCCCC1 ZINC000793699857 1078273539 /nfs/dbraw/zinc/27/35/39/1078273539.db2.gz BLWPMRQXOOZFKH-MRXNPFEDSA-N 0 3 414.575 2.993 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1)N1CCCCC1 ZINC000793707753 1078277530 /nfs/dbraw/zinc/27/75/30/1078277530.db2.gz KBJQEZSQHGMHSS-GOSISDBHSA-N 0 3 421.541 2.895 20 0 HFADHN CC1CCN([C@H](CNC(=O)C(=O)NC[C@@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784886 1078294428 /nfs/dbraw/zinc/29/44/28/1078294428.db2.gz NUDAZIIDFPLSJA-RTBURBONSA-N 0 3 421.632 2.541 20 0 HFADHN Cc1ccc([C@H](C)NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 ZINC000793846420 1078313266 /nfs/dbraw/zinc/31/32/66/1078313266.db2.gz FQLWVLKTEKEXOU-HOTGVXAUSA-N 0 3 400.548 2.971 20 0 HFADHN CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000794270416 1078397785 /nfs/dbraw/zinc/39/77/85/1078397785.db2.gz FLTQREREMIQLFS-AWEZNQCLSA-N 0 3 401.548 2.753 20 0 HFADHN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000794270416 1078397791 /nfs/dbraw/zinc/39/77/91/1078397791.db2.gz FLTQREREMIQLFS-AWEZNQCLSA-N 0 3 401.548 2.753 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001170445532 1078415048 /nfs/dbraw/zinc/41/50/48/1078415048.db2.gz WXWLUJAZNKQXOL-FQEVSTJZSA-N 0 3 424.545 2.795 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330410 1078415709 /nfs/dbraw/zinc/41/57/09/1078415709.db2.gz VZCNNIQSZYRIEC-HOTGVXAUSA-N 0 3 401.548 2.593 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000794404163 1078436422 /nfs/dbraw/zinc/43/64/22/1078436422.db2.gz IHANBZBWQDARBQ-RTBURBONSA-N 0 3 420.554 2.938 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000794404617 1078436658 /nfs/dbraw/zinc/43/66/58/1078436658.db2.gz NWAGASOOMVBZFL-SFHVURJKSA-N 0 3 424.517 2.687 20 0 HFADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418907 1078468862 /nfs/dbraw/zinc/46/88/62/1078468862.db2.gz ZGTPOBJKUNAYOX-PMACEKPBSA-N 0 3 421.969 2.603 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000804431682 1078476915 /nfs/dbraw/zinc/47/69/15/1078476915.db2.gz VHKGPATWGLHZEJ-AWEZNQCLSA-N 0 3 407.563 2.629 20 0 HFADHN Cc1c(C(=O)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000804475788 1078518902 /nfs/dbraw/zinc/51/89/02/1078518902.db2.gz HUPCYIOJUIAXOY-QMHKHESXSA-N 0 3 419.529 2.724 20 0 HFADHN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCCN2C)c1)c1ccccc1 ZINC001129903676 1078576125 /nfs/dbraw/zinc/57/61/25/1078576125.db2.gz AXCYWFZGXUSEOX-PXNSSMCTSA-N 0 3 415.559 2.892 20 0 HFADHN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCN1C ZINC001129905750 1078577398 /nfs/dbraw/zinc/57/73/98/1078577398.db2.gz PGOXPCQAYWNXKY-WAIKUNEKSA-N 0 3 417.550 2.914 20 0 HFADHN CN(C[C@H]1CCCN1C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001129905963 1078578077 /nfs/dbraw/zinc/57/80/77/1078578077.db2.gz UBSURRKDECRYNW-LLVKDONJSA-N 0 3 412.719 2.849 20 0 HFADHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001129905964 1078578118 /nfs/dbraw/zinc/57/81/18/1078578118.db2.gz UBSURRKDECRYNW-NSHDSACASA-N 0 3 412.719 2.849 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C ZINC000804565875 1078601542 /nfs/dbraw/zinc/60/15/42/1078601542.db2.gz HCRZYWUMPFZFRF-FXBPSFAMSA-N 0 3 412.538 2.713 20 0 HFADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccccc1CSC1=NCCS1 ZINC000747224129 1078820330 /nfs/dbraw/zinc/82/03/30/1078820330.db2.gz UUMOIRZHUVFJEJ-UHFFFAOYSA-N 0 3 406.621 2.732 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000805070267 1078879492 /nfs/dbraw/zinc/87/94/92/1078879492.db2.gz IPPVKOQWLWFCCE-YJBOKZPZSA-N 0 3 401.429 2.735 20 0 HFADHN CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130057621 1078880971 /nfs/dbraw/zinc/88/09/71/1078880971.db2.gz JDOBFPHGNOLHMD-ROUUACIJSA-N 0 3 411.468 2.909 20 0 HFADHN CC(C)N(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130058312 1078881862 /nfs/dbraw/zinc/88/18/62/1078881862.db2.gz YVFKQCXJGIEWOA-OAQYLSRUSA-N 0 3 421.607 2.560 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000747232078 1078956557 /nfs/dbraw/zinc/95/65/57/1078956557.db2.gz QZQAAUHDJBMNHZ-TUNNFDKTSA-N 0 3 406.482 2.734 20 0 HFADHN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001130125065 1078975458 /nfs/dbraw/zinc/97/54/58/1078975458.db2.gz VOMNFIXIJSDSAY-YJMBLLCNSA-N 0 3 412.578 2.939 20 0 HFADHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236372 1078993382 /nfs/dbraw/zinc/99/33/82/1078993382.db2.gz LYWXUHFXRYPOAI-IAGOWNOFSA-N 0 3 408.424 2.793 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247139 1079104493 /nfs/dbraw/zinc/10/44/93/1079104493.db2.gz IPYWQLSIBJCVPW-UONOGXRCSA-N 0 3 407.319 2.685 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247139 1079104490 /nfs/dbraw/zinc/10/44/90/1079104490.db2.gz IPYWQLSIBJCVPW-UONOGXRCSA-N 0 3 407.319 2.685 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C[NH+]2CCCC2)c(Cl)cc1Cl ZINC000747249800 1079146645 /nfs/dbraw/zinc/14/66/45/1079146645.db2.gz YBZQWRKQEVFLRU-NSHDSACASA-N 0 3 409.335 2.790 20 0 HFADHN O=C(C1CCN(Cc2ccccc2)CC1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000805868639 1079311230 /nfs/dbraw/zinc/31/12/30/1079311230.db2.gz IYZZJWVVLMYFOB-UHFFFAOYSA-N 0 3 422.572 2.560 20 0 HFADHN C[C@H]1CCn2ncc(C(=O)Nc3ccc(OCCCN4CCN(C)CC4)cc3)c2C1 ZINC001130542519 1079463362 /nfs/dbraw/zinc/46/33/62/1079463362.db2.gz XSNQFHGBHPZRNV-SFHVURJKSA-N 0 3 411.550 2.734 20 0 HFADHN C[C@@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC001137551706 1079478329 /nfs/dbraw/zinc/47/83/29/1079478329.db2.gz OAGLIADSVXLINB-OCCSQVGLSA-N 0 3 404.864 2.852 20 0 HFADHN COc1cc([C@@H](C)NC[C@@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179029 1079498486 /nfs/dbraw/zinc/49/84/86/1079498486.db2.gz NYBBFLLWCUJKMD-DOMZBBRYSA-N 0 3 400.447 2.513 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335861 1076747196 /nfs/dbraw/zinc/74/71/96/1076747196.db2.gz VWOARKMIXJMFFG-SQNIBIBYSA-N 0 3 424.586 2.669 20 0 HFADHN C[C@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000787312323 1076758498 /nfs/dbraw/zinc/75/84/98/1076758498.db2.gz LMSTXIVBJQZTJG-SFHVURJKSA-N 0 3 414.550 2.985 20 0 HFADHN Cc1nc2ccccn2c(=O)c1CCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000787720455 1076907526 /nfs/dbraw/zinc/90/75/26/1076907526.db2.gz YISRFEFWWGJYBT-UHFFFAOYSA-N 0 3 404.470 2.560 20 0 HFADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751928 1076927060 /nfs/dbraw/zinc/92/70/60/1076927060.db2.gz QTTXTPBRDDJRPY-OXJNMPFZSA-N 0 3 421.969 2.603 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](N[C@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766517 1076931318 /nfs/dbraw/zinc/93/13/18/1076931318.db2.gz UKOJRPPMVXQBJQ-AYBZRNKSSA-N 0 3 420.506 2.529 20 0 HFADHN CC(C)[C@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000772708087 1076956147 /nfs/dbraw/zinc/95/61/47/1076956147.db2.gz CENVWNKDAUQZPS-FQEVSTJZSA-N 0 3 402.535 2.715 20 0 HFADHN COc1cc([C@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccc1OC(C)C ZINC000787869300 1076966622 /nfs/dbraw/zinc/96/66/22/1076966622.db2.gz BAQARPIWJKNDDH-SJORKVTESA-N 0 3 405.539 2.650 20 0 HFADHN COc1cc(CN2CC[C@H](NCc3cnc(C4OCCO4)s3)C2)cc(OC)c1 ZINC000787925057 1076999306 /nfs/dbraw/zinc/99/93/06/1076999306.db2.gz MIDUBTAPHAWZHO-HNNXBMFYSA-N 0 3 405.520 2.570 20 0 HFADHN COc1cc(CN2CC[C@@H](NCc3cnc(C4OCCO4)s3)C2)cc(OC)c1 ZINC000787925060 1076999361 /nfs/dbraw/zinc/99/93/61/1076999361.db2.gz MIDUBTAPHAWZHO-OAHLLOKOSA-N 0 3 405.520 2.570 20 0 HFADHN COc1ccc(OC)c2c1CN(C[C@H]1CN(Cc3ccccc3)CCCO1)C[C@@H]2O ZINC000788011476 1077027999 /nfs/dbraw/zinc/02/79/99/1077027999.db2.gz JSYXXIGZMYWWKM-CTNGQTDRSA-N 0 3 412.530 2.844 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505058 1077184818 /nfs/dbraw/zinc/18/48/18/1077184818.db2.gz RGKHHXMJBHHACC-UXLLHSPISA-N 0 3 411.568 2.882 20 0 HFADHN CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788582036 1077212058 /nfs/dbraw/zinc/21/20/58/1077212058.db2.gz FDNGWADYWOAVRM-NRFANRHFSA-N 0 3 417.575 2.506 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c(C)c1Cl ZINC000788651610 1077226797 /nfs/dbraw/zinc/22/67/97/1077226797.db2.gz JLJVVBZELOBGNM-VXGBXAGGSA-N 0 3 406.957 2.601 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000788619712 1077231169 /nfs/dbraw/zinc/23/11/69/1077231169.db2.gz RISBZCDTDXJNAW-FQEVSTJZSA-N 0 3 411.568 2.720 20 0 HFADHN COc1ccc(CCS(=O)(=O)NCC2(N3CCC(OC)CC3)CCCC2)cc1 ZINC000788622691 1077233223 /nfs/dbraw/zinc/23/32/23/1077233223.db2.gz FVMNEBPJFBKCHW-UHFFFAOYSA-N 0 3 410.580 2.581 20 0 HFADHN CC1(C(=O)OCC(=O)NCC(=O)c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000772721790 1077238342 /nfs/dbraw/zinc/23/83/42/1077238342.db2.gz IEJKREGMMWKNEQ-UHFFFAOYSA-N 0 3 408.498 2.831 20 0 HFADHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC000788637693 1077242204 /nfs/dbraw/zinc/24/22/04/1077242204.db2.gz HQJNQNSEIUHIFM-KPZWWZAWSA-N 0 3 400.903 2.941 20 0 HFADHN Clc1ccc2c(n1)[C@@H](N[C@@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637952 1077242252 /nfs/dbraw/zinc/24/22/52/1077242252.db2.gz CUHHGESKRYUUQD-SJORKVTESA-N 0 3 414.941 2.608 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)N1CCCC[C@H]1C ZINC000790905908 1077243981 /nfs/dbraw/zinc/24/39/81/1077243981.db2.gz AEXUDQLTFKAJAV-MKXGPGLRSA-N 0 3 416.566 2.618 20 0 HFADHN CCN1CCN(Cc2ccccc2CNC(=O)c2nc(Br)cs2)CC1 ZINC000788643280 1077244408 /nfs/dbraw/zinc/24/44/08/1077244408.db2.gz RTWNQQFNEYPPRK-UHFFFAOYSA-N 0 3 423.380 2.973 20 0 HFADHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788681874 1077249298 /nfs/dbraw/zinc/24/92/98/1077249298.db2.gz ZQRJIASIITYYHW-MAUKXSAKSA-N 0 3 411.568 2.672 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)c(C)c1Cl ZINC000788655475 1077254482 /nfs/dbraw/zinc/25/44/82/1077254482.db2.gz YEQXUIQUMMWAJA-UHFFFAOYSA-N 0 3 408.973 2.895 20 0 HFADHN CN(C(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788715141 1077268925 /nfs/dbraw/zinc/26/89/25/1077268925.db2.gz SENMGVSDFGIXJE-QHCPKHFHSA-N 0 3 420.557 2.877 20 0 HFADHN CCOC(=O)[C@H]1[C@H](NCc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754133 1077277284 /nfs/dbraw/zinc/27/72/84/1077277284.db2.gz OTBDBBNLQYPFBR-QZTJIDSGSA-N 0 3 406.523 2.945 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777739 1077298458 /nfs/dbraw/zinc/29/84/58/1077298458.db2.gz LORQLLKQQVDNQV-HRCADAONSA-N 0 3 413.349 2.735 20 0 HFADHN CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788820393 1077308188 /nfs/dbraw/zinc/30/81/88/1077308188.db2.gz OAHVDYSOJHNKKP-FDFHNCONSA-N 0 3 406.530 2.874 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788832915 1077314132 /nfs/dbraw/zinc/31/41/32/1077314132.db2.gz UDHKFOXKZDCMHN-UEVCKROQSA-N 0 3 420.557 2.949 20 0 HFADHN CN1CCN(C(=O)CC2CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)CC1 ZINC000788845758 1077318441 /nfs/dbraw/zinc/31/84/41/1077318441.db2.gz DHSDBYQAKIJNCN-UHFFFAOYSA-N 0 3 424.630 2.898 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000791334539 1077377618 /nfs/dbraw/zinc/37/76/18/1077377618.db2.gz BAMIBTRBBVWBNG-MDZDMXLPSA-N 0 3 421.501 2.657 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000747015025 1077423197 /nfs/dbraw/zinc/42/31/97/1077423197.db2.gz RXSIDFFSMPCGPC-UHFFFAOYSA-N 0 3 412.534 2.743 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCN(CC3CCOCC3)CC2)nc1 ZINC000791606052 1077502633 /nfs/dbraw/zinc/50/26/33/1077502633.db2.gz WMSCJCHRBSBGKZ-UHFFFAOYSA-N 0 3 418.538 2.542 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CCN(C)C)Cc3cccs3)C2)c1 ZINC000791632694 1077520104 /nfs/dbraw/zinc/52/01/04/1077520104.db2.gz QBOCKABYYPBCKD-FQEVSTJZSA-N 0 3 417.531 2.849 20 0 HFADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCSC(C)(C)CC3)CC2)c(F)c1 ZINC000789339303 1077527589 /nfs/dbraw/zinc/52/75/89/1077527589.db2.gz CAVZXTUZXHFUIL-UHFFFAOYSA-N 0 3 407.555 2.894 20 0 HFADHN COc1cccc(/C=C(\C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)n2nnnc2C)c1 ZINC000791716374 1077536500 /nfs/dbraw/zinc/53/65/00/1077536500.db2.gz ULWHBZLVSMZGMR-NPRDNPRVSA-N 0 3 420.517 2.796 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=S)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000789395926 1077536708 /nfs/dbraw/zinc/53/67/08/1077536708.db2.gz ROOVFLQARFYWMG-IBGZPJMESA-N 0 3 415.559 2.776 20 0 HFADHN CN(CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789520773 1077615555 /nfs/dbraw/zinc/61/55/55/1077615555.db2.gz IHGDDNYXFHUUJB-NRFANRHFSA-N 0 3 405.498 2.796 20 0 HFADHN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000789558733 1077676954 /nfs/dbraw/zinc/67/69/54/1077676954.db2.gz UQYNULANZVDCPN-GFCCVEGCSA-N 0 3 400.292 2.826 20 0 HFADHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000746839668 1077723859 /nfs/dbraw/zinc/72/38/59/1077723859.db2.gz FKVIIJLZRKOAMT-CQSZACIVSA-N 0 3 420.510 2.598 20 0 HFADHN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1C ZINC000792234928 1077756768 /nfs/dbraw/zinc/75/67/68/1077756768.db2.gz HSTWJANLCUJEJH-ZDUSSCGKSA-N 0 3 403.914 2.682 20 0 HFADHN CN(Cc1cccc(C(N)=O)c1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792278342 1077772640 /nfs/dbraw/zinc/77/26/40/1077772640.db2.gz NRLAHEHUFQJOAX-UHFFFAOYSA-N 0 3 412.456 2.732 20 0 HFADHN O=C(NC[C@@]1(O)CCc2ccccc21)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792278202 1077773023 /nfs/dbraw/zinc/77/30/23/1077773023.db2.gz UWOWKPOASJMCTB-UHYCVJNDSA-N 0 3 411.468 2.925 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3nc4c(s3)CCCC4)cc2)CC1 ZINC000789748928 1077781209 /nfs/dbraw/zinc/78/12/09/1077781209.db2.gz BPTUNVSMUYBGOR-UHFFFAOYSA-N 0 3 413.547 2.741 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789752183 1077782933 /nfs/dbraw/zinc/78/29/33/1077782933.db2.gz ODUGEAKYHJADGK-KRWDZBQOSA-N 0 3 415.925 2.890 20 0 HFADHN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792330201 1077792449 /nfs/dbraw/zinc/79/24/49/1077792449.db2.gz CTYOGDXUFOQWPS-QGZVFWFLSA-N 0 3 424.586 2.970 20 0 HFADHN CC1(C)CN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000792354857 1077812654 /nfs/dbraw/zinc/81/26/54/1077812654.db2.gz NHMDNOLRHJFMJO-ZDUSSCGKSA-N 0 3 418.460 2.573 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cc(C)cnc2Cl)c1 ZINC000792401690 1077836361 /nfs/dbraw/zinc/83/63/61/1077836361.db2.gz ZIFZLZVXCPWFFO-UHFFFAOYSA-N 0 3 404.898 2.581 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H]3C)cc2)CC1 ZINC000792385112 1077848048 /nfs/dbraw/zinc/84/80/48/1077848048.db2.gz DTDJEYOIGHPZEG-WMLDXEAASA-N 0 3 412.456 2.566 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)Cc3cc(OC)c(O)c(OC)c3)CC2)c1 ZINC000789901065 1077856171 /nfs/dbraw/zinc/85/61/71/1077856171.db2.gz FBEZNTKBBVHUNC-UHFFFAOYSA-N 0 3 414.502 2.741 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@H](CN2CCCC2)c2ccccc2)=NO1 ZINC000789954683 1077866855 /nfs/dbraw/zinc/86/68/55/1077866855.db2.gz MZMRNKUMHKRHOU-PKOBYXMFSA-N 0 3 416.522 2.609 20 0 HFADHN Cc1cccc(N2CCN(CCC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792521618 1077886158 /nfs/dbraw/zinc/88/61/58/1077886158.db2.gz GVWMFPSGPARKLI-GOSISDBHSA-N 0 3 404.555 2.537 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cnn(-c2ccc(F)cc2)n1 ZINC000792555362 1077901685 /nfs/dbraw/zinc/90/16/85/1077901685.db2.gz MNJHMXSMVKOZIW-UHFFFAOYSA-N 0 3 411.403 2.942 20 0 HFADHN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H](N2CCOCC2)CC1 ZINC001170218864 1077910250 /nfs/dbraw/zinc/91/02/50/1077910250.db2.gz WCALJEIJCUNBEE-ROUUACIJSA-N 0 3 416.591 2.830 20 0 HFADHN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H](N2CCOCC2)CC1 ZINC001170218859 1077910302 /nfs/dbraw/zinc/91/03/02/1077910302.db2.gz WCALJEIJCUNBEE-MSOLQXFVSA-N 0 3 416.591 2.830 20 0 HFADHN O=C(COC(=O)c1ccc2cncn2c1)Nc1cccc(CN2CCSCC2)c1 ZINC000792564682 1077912983 /nfs/dbraw/zinc/91/29/83/1077912983.db2.gz JWAPEWVTMPGVBU-UHFFFAOYSA-N 0 3 410.499 2.679 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)cc1 ZINC000790017745 1077914575 /nfs/dbraw/zinc/91/45/75/1077914575.db2.gz MKWKMZGXHKFDRF-UHFFFAOYSA-N 0 3 414.487 2.502 20 0 HFADHN COC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264827 1077921377 /nfs/dbraw/zinc/92/13/77/1077921377.db2.gz ZADJHFYTTCIOJD-VQIMIIECSA-N 0 3 412.486 2.730 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(-c2ccccc2)nc1 ZINC000790049459 1077929939 /nfs/dbraw/zinc/92/99/39/1077929939.db2.gz NPRAYMOKJPUJDV-UHFFFAOYSA-N 0 3 400.504 2.891 20 0 HFADHN CN(C)S(=O)(=O)CCCN1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001170300794 1077932201 /nfs/dbraw/zinc/93/22/01/1077932201.db2.gz XMMQZSIKHVWBLC-QGZVFWFLSA-N 0 3 417.616 2.625 20 0 HFADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001170280532 1077936590 /nfs/dbraw/zinc/93/65/90/1077936590.db2.gz KIEJHQJTOOUWKK-CABCVRRESA-N 0 3 405.886 2.571 20 0 HFADHN CN(C[C@H]1CNCCO1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001157716733 1077940573 /nfs/dbraw/zinc/94/05/73/1077940573.db2.gz RIQRBDURMNCPGA-MRXNPFEDSA-N 0 3 400.350 2.652 20 0 HFADHN CN(C[C@@H]1CNCCO1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001157716732 1077940626 /nfs/dbraw/zinc/94/06/26/1077940626.db2.gz RIQRBDURMNCPGA-INIZCTEOSA-N 0 3 400.350 2.652 20 0 HFADHN CCN(CCCNC(=O)N1CCN(c2ccncc2OC)CC1)C(=O)OC(C)(C)C ZINC000792864807 1078011288 /nfs/dbraw/zinc/01/12/88/1078011288.db2.gz KYQUTVNRRODWRD-UHFFFAOYSA-N 0 3 421.542 2.569 20 0 HFADHN C[C@H]1OCC[C@@]12CN(Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407401 1078019836 /nfs/dbraw/zinc/01/98/36/1078019836.db2.gz RPMLETFEOMUGCB-PJIJBLCYSA-N 0 3 407.308 2.990 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914811 1078025126 /nfs/dbraw/zinc/02/51/26/1078025126.db2.gz SWKWBBYDOHSWOS-ZENOOKHLSA-N 0 3 421.847 2.555 20 0 HFADHN CCCCCCn1cc(S(=O)(=O)Nc2ccc(C)cc2CN(C)C)c(=O)[nH]c1=O ZINC000772824364 1078026670 /nfs/dbraw/zinc/02/66/70/1078026670.db2.gz JSFOLBPMGVRGPE-UHFFFAOYSA-N 0 3 422.551 2.700 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000806271511 1079534589 /nfs/dbraw/zinc/53/45/89/1079534589.db2.gz CCSSNZAMIIRQBS-HXUWFJFHSA-N 0 3 420.554 2.997 20 0 HFADHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282441 1079546554 /nfs/dbraw/zinc/54/65/54/1079546554.db2.gz LAXMTERUAIDFFV-RHSMWYFYSA-N 0 3 408.524 2.580 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000806308540 1079561806 /nfs/dbraw/zinc/56/18/06/1079561806.db2.gz UVCRRFMRYALCCS-PMACEKPBSA-N 0 3 404.555 2.858 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000806292476 1079580554 /nfs/dbraw/zinc/58/05/54/1079580554.db2.gz NSJQLFBNZJIIMQ-GOSISDBHSA-N 0 3 406.433 2.514 20 0 HFADHN CC[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)N1CCc2ccccc2C1 ZINC000806397779 1079685928 /nfs/dbraw/zinc/68/59/28/1079685928.db2.gz QHVSKWUWYRTQGL-PMACEKPBSA-N 0 3 402.539 2.743 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000806401960 1079689920 /nfs/dbraw/zinc/68/99/20/1079689920.db2.gz XXLWXXSAXQVUHE-HXUWFJFHSA-N 0 3 402.539 2.745 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000806412216 1079699291 /nfs/dbraw/zinc/69/92/91/1079699291.db2.gz NMDXOOWWHCWJBA-IBGZPJMESA-N 0 3 420.554 2.997 20 0 HFADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN(C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508931 1079722579 /nfs/dbraw/zinc/72/25/79/1079722579.db2.gz YHDUSGQOWOJDMQ-KXEIRXBSSA-N 0 3 413.942 2.541 20 0 HFADHN CN(C)C[C@@H](NC(=S)NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000806593572 1079836445 /nfs/dbraw/zinc/83/64/45/1079836445.db2.gz JBIRBNKONXEUNL-GOSISDBHSA-N 0 3 403.523 2.906 20 0 HFADHN CS[C@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@H]1N(C)C ZINC000772847528 1079859550 /nfs/dbraw/zinc/85/95/50/1079859550.db2.gz TXAMPWSCOADFMG-MSOLQXFVSA-N 0 3 419.591 2.553 20 0 HFADHN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747343736 1079909418 /nfs/dbraw/zinc/90/94/18/1079909418.db2.gz RVWIVOJZTNNQSW-SJORKVTESA-N 0 3 404.898 2.692 20 0 HFADHN Cc1ccc(CC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c(Cl)n1 ZINC000806791854 1080012812 /nfs/dbraw/zinc/01/28/12/1080012812.db2.gz KACVUFSDRLAPPJ-UHFFFAOYSA-N 0 3 400.954 2.862 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812426 1080025358 /nfs/dbraw/zinc/02/53/58/1080025358.db2.gz JOKPQXFBHMZZRE-MJGOQNOKSA-N 0 3 420.554 2.997 20 0 HFADHN CN(C)Cc1cccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000747359850 1080031048 /nfs/dbraw/zinc/03/10/48/1080031048.db2.gz MUSNMNJGIBFHCK-UHFFFAOYSA-N 0 3 410.518 2.641 20 0 HFADHN COC(OC)c1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)o1 ZINC000806891670 1080056931 /nfs/dbraw/zinc/05/69/31/1080056931.db2.gz AQEPORQXEKSKMN-UHFFFAOYSA-N 0 3 406.454 2.983 20 0 HFADHN C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)CN1CCN(C)CC1 ZINC000806865122 1080067308 /nfs/dbraw/zinc/06/73/08/1080067308.db2.gz PRGUFJSAOCQJCE-URXFXBBRSA-N 0 3 424.589 2.815 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000806953777 1080163948 /nfs/dbraw/zinc/16/39/48/1080163948.db2.gz JNHGAPCYADPTEQ-QOKNQOGYSA-N 0 3 413.440 2.786 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092161 1080272415 /nfs/dbraw/zinc/27/24/15/1080272415.db2.gz SVKZDPGOXXLNPU-UXHICEINSA-N 0 3 401.551 2.507 20 0 HFADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCC12OCCO2 ZINC000807102870 1080281927 /nfs/dbraw/zinc/28/19/27/1080281927.db2.gz VYDWQRRJUHCPHL-QGZVFWFLSA-N 0 3 411.340 2.883 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000807113847 1080290550 /nfs/dbraw/zinc/29/05/50/1080290550.db2.gz IKECZIJJASANGP-HOJAQTOUSA-N 0 3 402.539 2.817 20 0 HFADHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1cccc(I)c1 ZINC001130895083 1080430117 /nfs/dbraw/zinc/43/01/17/1080430117.db2.gz DQRAOFOGPIBDBS-CYBMUJFWSA-N 0 3 402.276 2.659 20 0 HFADHN CCOC(=O)C1CN(Cc2ccccc2)CCC1=Nc1ccnc(CC(=O)OC)c1 ZINC001170522183 1080521229 /nfs/dbraw/zinc/52/12/29/1080521229.db2.gz BKYRJPVCNFJWRR-UHFFFAOYSA-N 0 3 409.486 2.932 20 0 HFADHN COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000807401263 1080596147 /nfs/dbraw/zinc/59/61/47/1080596147.db2.gz LNEZVRHXTIGCIJ-DLVCFXQMSA-N 0 3 401.507 2.728 20 0 HFADHN COC[C@@]1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550248 1080765931 /nfs/dbraw/zinc/76/59/31/1080765931.db2.gz DZFLDZWBRNIKJP-QFIPXVFZSA-N 0 3 424.586 2.672 20 0 HFADHN Cc1cccn2c(=O)cc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)nc12 ZINC001460859524 1126192588 /nfs/dbraw/zinc/19/25/88/1126192588.db2.gz FDDGPZTXQHSHAP-HXUWFJFHSA-N 0 3 416.319 2.849 20 0 HFADHN CN(C)S(=O)(=O)c1ccc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)s1 ZINC001560182174 1126208473 /nfs/dbraw/zinc/20/84/73/1126208473.db2.gz ATNVPBYHHJVRRO-QGZVFWFLSA-N 0 3 402.969 2.735 20 0 HFADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3NCCO[C@@H]3C2)n1 ZINC001164389855 718825163 /nfs/dbraw/zinc/82/51/63/718825163.db2.gz JYWSOFKHKPZILV-QZTJIDSGSA-N 0 3 409.559 2.987 20 0 HFADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3NCCO[C@@H]3C2)n1 ZINC001164389857 718825492 /nfs/dbraw/zinc/82/54/92/718825492.db2.gz JYWSOFKHKPZILV-ZWKOTPCHSA-N 0 3 409.559 2.987 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)cn3)CC2)CC1 ZINC001164614443 719022294 /nfs/dbraw/zinc/02/22/94/719022294.db2.gz SXXOUMFDUBTVHB-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000508342136 719236634 /nfs/dbraw/zinc/23/66/34/719236634.db2.gz TZOJGURVEMYNPY-JKSUJKDBSA-N 0 3 415.607 2.931 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164683682 719725030 /nfs/dbraw/zinc/72/50/30/719725030.db2.gz CMPHVEMFMHMRHD-UHFFFAOYSA-N 0 3 422.957 2.871 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164689646 719741851 /nfs/dbraw/zinc/74/18/51/719741851.db2.gz JUMLTCJFEBNGGY-UHFFFAOYSA-N 0 3 420.517 2.774 20 0 HFADHN CN(Cc1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1)C1CC1 ZINC001164694974 719835793 /nfs/dbraw/zinc/83/57/93/719835793.db2.gz KABLXJWUGCPMOB-IBGZPJMESA-N 0 3 419.533 2.520 20 0 HFADHN Clc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164741486 720699451 /nfs/dbraw/zinc/69/94/51/720699451.db2.gz TZHGERYYYDETRI-DLBZAZTESA-N 0 3 408.893 2.929 20 0 HFADHN CCOc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738631 720781720 /nfs/dbraw/zinc/78/17/20/720781720.db2.gz GMPPSIQQIJOTSH-QUCCMNQESA-N 0 3 418.501 2.674 20 0 HFADHN Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747538 720800141 /nfs/dbraw/zinc/80/01/41/720800141.db2.gz OOTNTYYLUVPAJJ-SJORKVTESA-N 0 3 423.908 2.632 20 0 HFADHN Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164745515 720802068 /nfs/dbraw/zinc/80/20/68/720802068.db2.gz KQUUANLJUXOCEE-SJORKVTESA-N 0 3 406.465 2.723 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2CO[C@@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001164859132 720915130 /nfs/dbraw/zinc/91/51/30/720915130.db2.gz OZAVSSRIDUXKDV-KMFMINBZSA-N 0 3 404.898 2.725 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868741 721045628 /nfs/dbraw/zinc/04/56/28/721045628.db2.gz QENZHPQFCUYFDJ-IRXDYDNUSA-N 0 3 416.909 2.786 20 0 HFADHN CCOC(=O)/C=C\c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870638 721050901 /nfs/dbraw/zinc/05/09/01/721050901.db2.gz WLGGOHQGVJOOJY-PNHFMCTPSA-N 0 3 408.502 2.533 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773493 721073827 /nfs/dbraw/zinc/07/38/27/721073827.db2.gz XJMRZGPHBCQVPV-HOTGVXAUSA-N 0 3 403.914 2.604 20 0 HFADHN CSc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164865686 721081563 /nfs/dbraw/zinc/08/15/63/721081563.db2.gz OHJXBGZDEBHIJD-MSOLQXFVSA-N 0 3 411.575 2.952 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164765732 721107132 /nfs/dbraw/zinc/10/71/32/721107132.db2.gz KHKLVUUUCMAVOH-SJORKVTESA-N 0 3 413.526 2.515 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164765729 721107253 /nfs/dbraw/zinc/10/72/53/721107253.db2.gz KHKLVUUUCMAVOH-IRXDYDNUSA-N 0 3 413.526 2.515 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865469 721111792 /nfs/dbraw/zinc/11/17/92/721111792.db2.gz LNNABGDIHMSZLI-SJORKVTESA-N 0 3 409.465 2.652 20 0 HFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164875416 721167597 /nfs/dbraw/zinc/16/75/97/721167597.db2.gz LMWKWDNDHGKGAC-NHCUHLMSSA-N 0 3 408.550 2.732 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164887499 721339345 /nfs/dbraw/zinc/33/93/45/721339345.db2.gz UZVJPLOKGCXHGD-LAUBAEHRSA-N 0 3 407.942 2.558 20 0 HFADHN Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898411 721439158 /nfs/dbraw/zinc/43/91/58/721439158.db2.gz VYOAQPOURFOFJD-CVDCTZTESA-N 0 3 401.599 2.848 20 0 HFADHN Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(N)=O ZINC001164897698 721513397 /nfs/dbraw/zinc/51/33/97/721513397.db2.gz GIAZXEMXAXJRKS-ZBFHGGJFSA-N 0 3 404.873 2.623 20 0 HFADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908157 721538445 /nfs/dbraw/zinc/53/84/45/721538445.db2.gz PDABEDQOTVMRKF-PKOBYXMFSA-N 0 3 422.460 2.897 20 0 HFADHN O=C1NCc2c1c(N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)nc(Cl)c2F ZINC001164908114 721539201 /nfs/dbraw/zinc/53/92/01/721539201.db2.gz OSICEIWZUPROKW-OCCSQVGLSA-N 0 3 420.847 2.599 20 0 HFADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911026 721539761 /nfs/dbraw/zinc/53/97/61/721539761.db2.gz VEMMPUYVCFQIHM-SJLPKXTDSA-N 0 3 415.465 2.748 20 0 HFADHN CNC(=O)c1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164903425 721542059 /nfs/dbraw/zinc/54/20/59/721542059.db2.gz CLTCZQUAEIVYRA-GDBMZVCRSA-N 0 3 404.873 2.576 20 0 HFADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164911295 721555879 /nfs/dbraw/zinc/55/58/79/721555879.db2.gz YSSCFUNVBRUZTM-IRLDBZIGSA-N 0 3 420.488 2.773 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164811245 721589710 /nfs/dbraw/zinc/58/97/10/721589710.db2.gz WXJPDZHIWDMDBO-ZRBLBEILSA-N 0 3 407.562 2.941 20 0 HFADHN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164925091 721837266 /nfs/dbraw/zinc/83/72/66/721837266.db2.gz NQEZVDXAKYXICR-OFNKIYASSA-N 0 3 408.550 2.732 20 0 HFADHN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1NC1CC1 ZINC001164958837 722051963 /nfs/dbraw/zinc/05/19/63/722051963.db2.gz GYIARDNLWIYSDP-UHFFFAOYSA-N 0 3 408.550 2.873 20 0 HFADHN c1ccc(CN2CCc3nc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070110 /nfs/dbraw/zinc/07/01/10/722070110.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 0 3 404.558 2.939 20 0 HFADHN CS(=O)(=O)N1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2c2ccccc21 ZINC001164972357 722090936 /nfs/dbraw/zinc/09/09/36/722090936.db2.gz GHTMCDMOJWQEKL-UYAOXDASSA-N 0 3 412.559 2.677 20 0 HFADHN CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980806 722102113 /nfs/dbraw/zinc/10/21/13/722102113.db2.gz KKUOAIRNOXGEPC-XPWGKKGLSA-N 0 3 422.529 2.780 20 0 HFADHN COC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985885 722102557 /nfs/dbraw/zinc/10/25/57/722102557.db2.gz XLAHKDARRWYHCX-FUHWJXTLSA-N 0 3 416.909 2.644 20 0 HFADHN FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985878 722105861 /nfs/dbraw/zinc/10/58/61/722105861.db2.gz XJVYRSQUZYOIPP-NVXWUHKLSA-N 0 3 409.868 2.797 20 0 HFADHN CCOc1nc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981884 722109550 /nfs/dbraw/zinc/10/95/50/722109550.db2.gz VJYVAMXMZDSFPJ-SJORKVTESA-N 0 3 403.914 2.651 20 0 HFADHN COc1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975625 722118390 /nfs/dbraw/zinc/11/83/90/722118390.db2.gz KBOINCRWEJDADR-PGRDOPGGSA-N 0 3 405.502 2.761 20 0 HFADHN CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983122 722119253 /nfs/dbraw/zinc/11/92/53/722119253.db2.gz YIDFMNLLMZFBOS-RTWAWAEBSA-N 0 3 423.561 2.732 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973287 722138379 /nfs/dbraw/zinc/13/83/79/722138379.db2.gz BQRYRLJOACXHCS-SFTDATJTSA-N 0 3 408.550 2.589 20 0 HFADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164992045 722187659 /nfs/dbraw/zinc/18/76/59/722187659.db2.gz RKTWMCWBIMKPKQ-HXUWFJFHSA-N 0 3 400.567 2.779 20 0 HFADHN COC(=O)N1CCC([C@H](C)NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC1 ZINC000790506149 1078047224 /nfs/dbraw/zinc/04/72/24/1078047224.db2.gz MLWHVZJFARRGRY-KRWDZBQOSA-N 0 3 420.554 2.635 20 0 HFADHN O=C(c1nc(Br)ccc1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000790571310 1078058057 /nfs/dbraw/zinc/05/80/57/1078058057.db2.gz JVTIICSFNIVZSJ-SNVBAGLBSA-N 0 3 403.118 2.917 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000790581698 1078061239 /nfs/dbraw/zinc/06/12/39/1078061239.db2.gz CHWILFFTAOHKQB-KRWDZBQOSA-N 0 3 413.559 2.753 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000790581702 1078061270 /nfs/dbraw/zinc/06/12/70/1078061270.db2.gz CHWILFFTAOHKQB-QGZVFWFLSA-N 0 3 413.559 2.753 20 0 HFADHN C[C@H]1OCC[C@@]12CN(C(=S)NC1CCN(Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608676 1078074614 /nfs/dbraw/zinc/07/46/14/1078074614.db2.gz NPIUGJFCZPGARM-JBYIUTFZSA-N 0 3 403.592 2.794 20 0 HFADHN Cc1ccc(CN2CC[C@H](N[C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748243 1078124370 /nfs/dbraw/zinc/12/43/70/1078124370.db2.gz MEAFEYXKRJDLKH-NKKJXINNSA-N 0 3 407.558 2.975 20 0 HFADHN C[C@@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790795946 1078136958 /nfs/dbraw/zinc/13/69/58/1078136958.db2.gz BIELOHGUUFGPSN-SFHVURJKSA-N 0 3 418.582 2.966 20 0 HFADHN CS[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@@H]1N(C)C ZINC000790823943 1078157161 /nfs/dbraw/zinc/15/71/61/1078157161.db2.gz GQJHGTDBFJOEFH-VHSXEESVSA-N 0 3 423.174 2.724 20 0 HFADHN CC(C)CN(CCN(C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793436071 1078171806 /nfs/dbraw/zinc/17/18/06/1078171806.db2.gz MTGLESJSYLUKBJ-BGYRXZFFSA-N 0 3 412.534 2.625 20 0 HFADHN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)CCc3c[nH]cn3)cc2)[nH]1 ZINC000793552465 1078209147 /nfs/dbraw/zinc/20/91/47/1078209147.db2.gz FVCPBUUDFKRUEA-UHFFFAOYSA-N 0 3 411.466 2.791 20 0 HFADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793679864 1078252305 /nfs/dbraw/zinc/25/23/05/1078252305.db2.gz DZMIFDPRGGRPTB-SFHVURJKSA-N 0 3 405.539 2.928 20 0 HFADHN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793715160 1078262343 /nfs/dbraw/zinc/26/23/43/1078262343.db2.gz SCCNPKJRUXZUMQ-CABCVRRESA-N 0 3 415.456 2.580 20 0 HFADHN Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)CN(C)C)CC2)cc1 ZINC000793717627 1078264330 /nfs/dbraw/zinc/26/43/30/1078264330.db2.gz IOROYWZRZGEFGE-QHCPKHFHSA-N 0 3 405.542 2.900 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1cccnc1)N1CCCCC1 ZINC000793720716 1078265489 /nfs/dbraw/zinc/26/54/89/1078265489.db2.gz HHXTXZBSSUPKBJ-FQEVSTJZSA-N 0 3 408.546 2.644 20 0 HFADHN CCN1C(=O)CN(CN2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)C1=O ZINC000793726715 1078268096 /nfs/dbraw/zinc/26/80/96/1078268096.db2.gz YJWKIUHOULKREO-NRFANRHFSA-N 0 3 400.567 2.893 20 0 HFADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000793783600 1078293882 /nfs/dbraw/zinc/29/38/82/1078293882.db2.gz KFBVFGIRPXYBPD-VAMGGRTRSA-N 0 3 403.592 2.976 20 0 HFADHN CC1CCN([C@@H](CNC(=O)C(=O)NC[C@@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784882 1078294091 /nfs/dbraw/zinc/29/40/91/1078294091.db2.gz NUDAZIIDFPLSJA-MOPGFXCFSA-N 0 3 421.632 2.541 20 0 HFADHN Cc1ncc(CCNC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000793788172 1078296120 /nfs/dbraw/zinc/29/61/20/1078296120.db2.gz XNGWNOOXTHNEFH-FQEVSTJZSA-N 0 3 414.575 2.700 20 0 HFADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793878818 1078322168 /nfs/dbraw/zinc/32/21/68/1078322168.db2.gz QFIQHPSYZJNBKJ-OAQYLSRUSA-N 0 3 414.594 2.670 20 0 HFADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793873782 1078330823 /nfs/dbraw/zinc/33/08/23/1078330823.db2.gz FSBAFUDIIHHXAJ-UHFFFAOYSA-N 0 3 414.594 2.622 20 0 HFADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901917 1078333258 /nfs/dbraw/zinc/33/32/58/1078333258.db2.gz OXTUSEIYXXBCRA-RTBURBONSA-N 0 3 414.594 2.695 20 0 HFADHN CC1(C)CCCN(CCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793973837 1078350401 /nfs/dbraw/zinc/35/04/01/1078350401.db2.gz XQGZLXHXWBEBTE-PMACEKPBSA-N 0 3 424.545 2.817 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000794342848 1078420510 /nfs/dbraw/zinc/42/05/10/1078420510.db2.gz HHBYZKPGIHJRKT-IBGZPJMESA-N 0 3 422.529 2.799 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794344760 1078420954 /nfs/dbraw/zinc/42/09/54/1078420954.db2.gz NRRLNNHTDBWHFR-QGZVFWFLSA-N 0 3 418.538 2.776 20 0 HFADHN CN(Cc1cccc(OCc2ccccn2)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170450741 1078479668 /nfs/dbraw/zinc/47/96/68/1078479668.db2.gz GNOABAZWQFZSON-LJQANCHMSA-N 0 3 401.507 2.978 20 0 HFADHN Cn1cc(/C=C\C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129497668 1078487747 /nfs/dbraw/zinc/48/77/47/1078487747.db2.gz RMTSZVOBRKCEKS-WAYWQWQTSA-N 0 3 413.953 2.900 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455336 1078556815 /nfs/dbraw/zinc/55/68/15/1078556815.db2.gz HXSXEIMAFYULLI-OPAMFIHVSA-N 0 3 420.506 2.879 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455328 1078556854 /nfs/dbraw/zinc/55/68/54/1078556854.db2.gz HXSXEIMAFYULLI-AOMKIAJQSA-N 0 3 420.506 2.879 20 0 HFADHN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCN1C ZINC001129905748 1078577530 /nfs/dbraw/zinc/57/75/30/1078577530.db2.gz PGOXPCQAYWNXKY-MWTRTKDXSA-N 0 3 417.550 2.914 20 0 HFADHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@H]3CCCN3C)cc2)C1 ZINC001129906029 1078578024 /nfs/dbraw/zinc/57/80/24/1078578024.db2.gz VFBMMLPCCQCJTC-ZHALLVOQSA-N 0 3 407.580 2.519 20 0 HFADHN CC[C@@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)N1CCc2ccccc2C1 ZINC000804908228 1078730880 /nfs/dbraw/zinc/73/08/80/1078730880.db2.gz JUBJRKJMHIWFBF-FQEVSTJZSA-N 0 3 402.539 2.601 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000804945866 1078772672 /nfs/dbraw/zinc/77/26/72/1078772672.db2.gz UGNVXCYFAWDLOR-QHCPKHFHSA-N 0 3 410.562 2.529 20 0 HFADHN CC(C)N(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130057686 1078881143 /nfs/dbraw/zinc/88/11/43/1078881143.db2.gz LRJNFOLYYYSVEJ-GMAHTHKFSA-N 0 3 420.557 2.942 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1Cl ZINC000805074758 1078906097 /nfs/dbraw/zinc/90/60/97/1078906097.db2.gz ORXHYFIWKMGXOZ-RBUKOAKNSA-N 0 3 406.958 2.597 20 0 HFADHN O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000805075256 1078907261 /nfs/dbraw/zinc/90/72/61/1078907261.db2.gz VNCJEXQFSHMMLS-XUVXKRRUSA-N 0 3 407.942 2.970 20 0 HFADHN CN(CCc1ccccc1F)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805196050 1078969929 /nfs/dbraw/zinc/96/99/29/1078969929.db2.gz KQLCCPAWTRVANU-XMMPIXPASA-N 0 3 411.521 2.998 20 0 HFADHN C[C@@](O)(CCNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccccc1 ZINC000805198911 1078971792 /nfs/dbraw/zinc/97/17/92/1078971792.db2.gz VHWMULYDJLLNGH-JWQCQUIFSA-N 0 3 423.557 2.571 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000805296006 1078993050 /nfs/dbraw/zinc/99/30/50/1078993050.db2.gz SVHWQPZOLQFWOQ-FQEVSTJZSA-N 0 3 404.555 2.921 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235903 1079004500 /nfs/dbraw/zinc/00/45/00/1079004500.db2.gz JIFYDUTYCZJRSG-HUUCEWRRSA-N 0 3 412.387 2.623 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000805286697 1079011463 /nfs/dbraw/zinc/01/14/63/1079011463.db2.gz RBKUVRXALJCEQE-OAQYLSRUSA-N 0 3 416.566 2.912 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000805359003 1079045487 /nfs/dbraw/zinc/04/54/87/1079045487.db2.gz WDZVHJBRKFGMEK-PKTZIBPZSA-N 0 3 411.546 2.873 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805774557 1079246602 /nfs/dbraw/zinc/24/66/02/1079246602.db2.gz NFUGGYHZXNKBMI-HNNXBMFYSA-N 0 3 424.929 2.758 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(CCc1nnnn1-c1ccccc1)C2 ZINC000805793878 1079259677 /nfs/dbraw/zinc/25/96/77/1079259677.db2.gz OHEKOYGOHWUKPP-QFIPXVFZSA-N 0 3 412.538 2.928 20 0 HFADHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 ZINC000747268101 1079261202 /nfs/dbraw/zinc/26/12/02/1079261202.db2.gz UANHVYBZVBWAFW-CQSZACIVSA-N 0 3 400.516 2.791 20 0 HFADHN Cc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000805877762 1079318130 /nfs/dbraw/zinc/31/81/30/1079318130.db2.gz RVCOUKYUXKPYTK-UHFFFAOYSA-N 0 3 415.353 2.779 20 0 HFADHN CCc1nc([C@H](C)NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)cs1 ZINC000806115971 1079443913 /nfs/dbraw/zinc/44/39/13/1079443913.db2.gz CUAPPTHJIOGCNV-INIZCTEOSA-N 0 3 402.564 2.516 20 0 HFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1C ZINC001130517931 1079448302 /nfs/dbraw/zinc/44/83/02/1079448302.db2.gz AUQODSWQAHEVCW-OALUTQOASA-N 0 3 407.580 2.772 20 0 HFADHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174521 1079464159 /nfs/dbraw/zinc/46/41/59/1079464159.db2.gz XYMOZTWIDDADQF-RHSMWYFYSA-N 0 3 424.523 2.712 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174523 1079464179 /nfs/dbraw/zinc/46/41/79/1079464179.db2.gz XYMOZTWIDDADQF-YOEHRIQHSA-N 0 3 424.523 2.712 20 0 HFADHN COc1ccc(OC)c(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130528788 1079465254 /nfs/dbraw/zinc/46/52/54/1079465254.db2.gz PMNKGOXQYLZSOK-GMAHTHKFSA-N 0 3 410.514 2.748 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCCN3CCCC(C)(C)C3)[nH]n2)C1 ZINC000787585326 1076873557 /nfs/dbraw/zinc/87/35/57/1076873557.db2.gz FIZLTWFHSJIQKG-INIZCTEOSA-N 0 3 419.570 2.986 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCCC1 ZINC000787611714 1076878424 /nfs/dbraw/zinc/87/84/24/1076878424.db2.gz VSUZPIZNGQTDTM-FXAWDEMLSA-N 0 3 420.985 2.584 20 0 HFADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668848 1076905184 /nfs/dbraw/zinc/90/51/84/1076905184.db2.gz HPOAZHXSCLPLJI-NVXWUHKLSA-N 0 3 411.468 2.869 20 0 HFADHN Cc1nc2ccccn2c(=O)c1CCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000787713526 1076923446 /nfs/dbraw/zinc/92/34/46/1076923446.db2.gz ZQOHDTWYCMJQIV-QGZVFWFLSA-N 0 3 400.523 2.877 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759413 1076929099 /nfs/dbraw/zinc/92/90/99/1076929099.db2.gz GELYJUGJHUJMHC-BBWFWOEESA-N 0 3 412.527 2.593 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@](C)(NCc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC1 ZINC000787731097 1076933836 /nfs/dbraw/zinc/93/38/36/1076933836.db2.gz QYBJRAKTOAWJJO-GOSISDBHSA-N 0 3 417.959 2.770 20 0 HFADHN CCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1OC ZINC000787867842 1076987692 /nfs/dbraw/zinc/98/76/92/1076987692.db2.gz FRDSUQGJNHHQJZ-IAGOWNOFSA-N 0 3 405.539 2.652 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000787898451 1077003897 /nfs/dbraw/zinc/00/38/97/1077003897.db2.gz KUWYAOKPKFOENZ-UHFFFAOYSA-N 0 3 415.925 2.542 20 0 HFADHN CCC[C@H]1CN(Cn2nc(-c3cnn(C)c3)ccc2=O)CCN1Cc1ccccc1 ZINC000788366233 1077128613 /nfs/dbraw/zinc/12/86/13/1077128613.db2.gz AMFCEVBCKMQIKR-NRFANRHFSA-N 0 3 406.534 2.588 20 0 HFADHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000788637698 1077242240 /nfs/dbraw/zinc/24/22/40/1077242240.db2.gz HQJNQNSEIUHIFM-SGTLLEGYSA-N 0 3 400.903 2.941 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@@H](C)[C@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662386 1077257773 /nfs/dbraw/zinc/25/77/73/1077257773.db2.gz CUKITOQLRIWYAN-NBMRYCAZSA-N 0 3 410.486 2.778 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000790969135 1077258628 /nfs/dbraw/zinc/25/86/28/1077258628.db2.gz VQOILKVCJVEQOO-OAHLLOKOSA-N 0 3 419.526 2.604 20 0 HFADHN COC(=O)CS(=O)(=O)Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000788671083 1077262143 /nfs/dbraw/zinc/26/21/43/1077262143.db2.gz WCLXREJSQDNVDA-IBGZPJMESA-N 0 3 403.500 2.647 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671702 1077262425 /nfs/dbraw/zinc/26/24/25/1077262425.db2.gz NHSOYQRHDFXHKA-HKUYNNGSSA-N 0 3 414.506 2.903 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000790975850 1077268454 /nfs/dbraw/zinc/26/84/54/1077268454.db2.gz VCSADMWXKBJYRX-KRWDZBQOSA-N 0 3 420.941 2.642 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000788751361 1077276248 /nfs/dbraw/zinc/27/62/48/1077276248.db2.gz VYUACYIGGKAVMY-INIZCTEOSA-N 0 3 409.596 2.721 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058726 1077285526 /nfs/dbraw/zinc/28/55/26/1077285526.db2.gz FIFQIAXBGRETMV-CRAIPNDOSA-N 0 3 419.570 2.984 20 0 HFADHN COc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)nc1I ZINC000791063639 1077286841 /nfs/dbraw/zinc/28/68/41/1077286841.db2.gz XEEWNXVIRHRYQY-CYBMUJFWSA-N 0 3 417.291 2.545 20 0 HFADHN CC(C)(NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777638 1077298869 /nfs/dbraw/zinc/29/88/69/1077298869.db2.gz KWJZDYZESQBGSI-HOCLYGCPSA-N 0 3 401.429 2.983 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](N[C@@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825345 1077311011 /nfs/dbraw/zinc/31/10/11/1077311011.db2.gz YSCPWUJTULCXKQ-AOIWGVFYSA-N 0 3 404.507 2.911 20 0 HFADHN CC(C)(CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)CN1CCCC1 ZINC000791225526 1077335333 /nfs/dbraw/zinc/33/53/33/1077335333.db2.gz QWXFNVPADYEPFC-UHFFFAOYSA-N 0 3 417.369 2.704 20 0 HFADHN C[C@@H](OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1nnnn1C1CC1 ZINC000791344893 1077380624 /nfs/dbraw/zinc/38/06/24/1077380624.db2.gz GIGMLHYNVHOORC-SKDRFNHKSA-N 0 3 410.261 2.972 20 0 HFADHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000789059498 1077393964 /nfs/dbraw/zinc/39/39/64/1077393964.db2.gz DEWWXKNDBCXNOQ-QGZVFWFLSA-N 0 3 415.509 2.644 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746794088 1077466248 /nfs/dbraw/zinc/46/62/48/1077466248.db2.gz QWNQYZDKKPXIGB-UHFFFAOYSA-N 0 3 419.476 2.805 20 0 HFADHN NC(=O)c1ccsc1NC(=O)CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000789352788 1077513179 /nfs/dbraw/zinc/51/31/79/1077513179.db2.gz KNMPLAZBVNTEIY-UHFFFAOYSA-N 0 3 401.536 2.588 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CCN(C)C)Cc3cccs3)C2)c1 ZINC000791632695 1077520172 /nfs/dbraw/zinc/52/01/72/1077520172.db2.gz QBOCKABYYPBCKD-HXUWFJFHSA-N 0 3 417.531 2.849 20 0 HFADHN O=C(OC[C@H]1CCCS(=O)(=O)C1)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000791778724 1077549580 /nfs/dbraw/zinc/54/95/80/1077549580.db2.gz LXZKUOMBPTVQAB-DGCLKSJQSA-N 0 3 420.314 2.714 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000791761352 1077555655 /nfs/dbraw/zinc/55/56/55/1077555655.db2.gz LZGNLLQHQQAZRE-UHFFFAOYSA-N 0 3 405.930 2.802 20 0 HFADHN Cc1csc([C@](O)(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)C(F)(F)F)n1 ZINC000746818482 1077571615 /nfs/dbraw/zinc/57/16/15/1077571615.db2.gz ATZOQVCKUNAGSS-MAUKXSAKSA-N 0 3 415.481 2.881 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCn1cnc2sccc2c1=O ZINC000791974842 1077617700 /nfs/dbraw/zinc/61/77/00/1077617700.db2.gz JYVCXGDBJNFFKD-HKUYNNGSSA-N 0 3 408.527 2.991 20 0 HFADHN O=C(NC[C@H]1COC2(CCCC2)O1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792159337 1077726270 /nfs/dbraw/zinc/72/62/70/1077726270.db2.gz PJJDVUARTBQHIF-GPANFISMSA-N 0 3 405.461 2.777 20 0 HFADHN CS(=O)(=O)c1ccc(COC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000792205004 1077745484 /nfs/dbraw/zinc/74/54/84/1077745484.db2.gz WTMLRZUHYGXERI-UHFFFAOYSA-N 0 3 417.527 2.651 20 0 HFADHN CCCn1cc(NC(=O)C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cn1 ZINC000792247004 1077763131 /nfs/dbraw/zinc/76/31/31/1077763131.db2.gz URKMRTDENFMRKH-UHFFFAOYSA-N 0 3 412.538 2.709 20 0 HFADHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3nc(Br)cs3)c2)CC1 ZINC000792246386 1077763558 /nfs/dbraw/zinc/76/35/58/1077763558.db2.gz HEJLRNISWHINGW-UHFFFAOYSA-N 0 3 423.336 2.855 20 0 HFADHN CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119159 1077770675 /nfs/dbraw/zinc/77/06/75/1077770675.db2.gz VBTNEKMMCCHSKO-QZTJIDSGSA-N 0 3 420.506 2.772 20 0 HFADHN CCCCO[C@@H]1C[C@H](NCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119161 1077770953 /nfs/dbraw/zinc/77/09/53/1077770953.db2.gz VBTNEKMMCCHSKO-ZWKOTPCHSA-N 0 3 420.506 2.772 20 0 HFADHN C[C@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOC2=O)cc1 ZINC000792278378 1077772591 /nfs/dbraw/zinc/77/25/91/1077772591.db2.gz YWPBLRNCTLBICO-KRWDZBQOSA-N 0 3 417.531 2.756 20 0 HFADHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000789808966 1077820159 /nfs/dbraw/zinc/82/01/59/1077820159.db2.gz NBBXTTKRWQNTSU-INIZCTEOSA-N 0 3 424.501 2.863 20 0 HFADHN C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000792336970 1077824895 /nfs/dbraw/zinc/82/48/95/1077824895.db2.gz YKZPKDIYRVLMSK-RXVVDRJESA-N 0 3 418.582 2.737 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339462 1077825782 /nfs/dbraw/zinc/82/57/82/1077825782.db2.gz ABQATRJWFUXQRW-QZTJIDSGSA-N 0 3 413.905 2.925 20 0 HFADHN CCOC(=O)c1cc2ccc(N(C(=N)N)c3ccc(N4CCOCC4)cc3)cn2c1 ZINC001170165778 1077832456 /nfs/dbraw/zinc/83/24/56/1077832456.db2.gz HDAIFADKLSRLHP-UHFFFAOYSA-N 0 3 407.474 2.984 20 0 HFADHN COCc1ccc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792399871 1077835314 /nfs/dbraw/zinc/83/53/14/1077835314.db2.gz SODPBFMQVUKGCO-UHFFFAOYSA-N 0 3 413.440 2.693 20 0 HFADHN CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC001170218799 1077910034 /nfs/dbraw/zinc/91/00/34/1077910034.db2.gz VKLLCOSDTGJXME-FPOVZHCZSA-N 0 3 403.567 2.839 20 0 HFADHN C[C@@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N1CCc2ccccc21 ZINC000746875250 1077933476 /nfs/dbraw/zinc/93/34/76/1077933476.db2.gz DJJGEYUONFEOLZ-KRWDZBQOSA-N 0 3 406.530 2.774 20 0 HFADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001170315745 1077941579 /nfs/dbraw/zinc/94/15/79/1077941579.db2.gz QFHZWKOHQCEPGS-MRXNPFEDSA-N 0 3 423.504 2.909 20 0 HFADHN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114381 1077942194 /nfs/dbraw/zinc/94/21/94/1077942194.db2.gz QAJNQMWSYTXDJV-ZBFHGGJFSA-N 0 3 403.556 2.903 20 0 HFADHN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249829 1077976818 /nfs/dbraw/zinc/97/68/18/1077976818.db2.gz KYTXOOMSOOWGDO-SWLSCSKDSA-N 0 3 413.448 2.672 20 0 HFADHN NC(=O)c1ccsc1NC(=O)CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792883145 1078016594 /nfs/dbraw/zinc/01/65/94/1078016594.db2.gz GVJZZSGOZROAKF-UHFFFAOYSA-N 0 3 408.474 2.666 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)CN3CCC(c4c[nH]nc4C)CC3)cc2)CC1 ZINC000792929304 1078027716 /nfs/dbraw/zinc/02/77/16/1078027716.db2.gz XYZPFFZJLMXLRM-UHFFFAOYSA-N 0 3 410.566 2.678 20 0 HFADHN COC(=O)c1c2cnn(CN(C)CCCn3ccnc3)c2ccc1Br ZINC000790443061 1078032921 /nfs/dbraw/zinc/03/29/21/1078032921.db2.gz TZJFWUNMVFWQIO-UHFFFAOYSA-N 0 3 406.284 2.762 20 0 HFADHN COC(=O)c1c2cnn(CN3CCN(C)C[C@@H]3C(C)C)c2ccc1Br ZINC000790444962 1078033984 /nfs/dbraw/zinc/03/39/84/1078033984.db2.gz WZJMVIQQATVVGU-MRXNPFEDSA-N 0 3 409.328 2.815 20 0 HFADHN COC(=O)Nc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000747094672 1078035609 /nfs/dbraw/zinc/03/56/09/1078035609.db2.gz FCSBVPDTBVZQQO-FXAWDEMLSA-N 0 3 412.490 2.869 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2COC3(CCCCC3)O2)c1 ZINC000790452916 1078036069 /nfs/dbraw/zinc/03/60/69/1078036069.db2.gz RMWLQYPJSMQDMO-FQEVSTJZSA-N 0 3 405.539 2.844 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988080 1078041805 /nfs/dbraw/zinc/04/18/05/1078041805.db2.gz WPEOYJXNSSWJGH-HRAATJIYSA-N 0 3 413.559 2.738 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000806342428 1079615733 /nfs/dbraw/zinc/61/57/33/1079615733.db2.gz JVBGLILTIFICRV-OAQYLSRUSA-N 0 3 410.518 2.924 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)c3cnc(C4OCCO4)s3)c(C)c2)CC1 ZINC000806352998 1079624470 /nfs/dbraw/zinc/62/44/70/1079624470.db2.gz BLWXIAUKPYXIEF-UHFFFAOYSA-N 0 3 402.520 2.891 20 0 HFADHN C[C@]1(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CCN(Cc2ccccc2)C1 ZINC001130610042 1079629336 /nfs/dbraw/zinc/62/93/36/1079629336.db2.gz PKHWPGOHWQHXDD-QFIPXVFZSA-N 0 3 416.543 2.640 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000806431073 1079677470 /nfs/dbraw/zinc/67/74/70/1079677470.db2.gz KZTJJIXMCACZIP-FQEVSTJZSA-N 0 3 417.554 2.961 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000806434396 1079680099 /nfs/dbraw/zinc/68/00/99/1079680099.db2.gz KFNJTQCQADBNBU-VQTJNVASSA-N 0 3 402.539 2.961 20 0 HFADHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473481 1079704508 /nfs/dbraw/zinc/70/45/08/1079704508.db2.gz RBDLNGAOFFPUKB-KUHUBIRLSA-N 0 3 422.526 2.860 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000806437190 1079705693 /nfs/dbraw/zinc/70/56/93/1079705693.db2.gz KHBQBVMYIDWDGC-KRWDZBQOSA-N 0 3 412.600 2.658 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000806540645 1079779204 /nfs/dbraw/zinc/77/92/04/1079779204.db2.gz FPWRNRULOPRVSD-UYAOXDASSA-N 0 3 424.586 2.530 20 0 HFADHN O=C(NCCc1ccc(Cl)nc1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000806600172 1079843175 /nfs/dbraw/zinc/84/31/75/1079843175.db2.gz HICYQQAAQGTPNE-UHFFFAOYSA-N 0 3 406.958 2.556 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CC1=O ZINC001130706819 1079877583 /nfs/dbraw/zinc/87/75/83/1079877583.db2.gz DCFVOHQOABNFHZ-UHFFFAOYSA-N 0 3 401.894 2.978 20 0 HFADHN COC(=O)N1CCC[C@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000806682144 1079910690 /nfs/dbraw/zinc/91/06/90/1079910690.db2.gz CAZUIUPKSFMKIM-PKOBYXMFSA-N 0 3 406.527 2.607 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761260 1079980004 /nfs/dbraw/zinc/98/00/04/1079980004.db2.gz XUARKTHGLCASIR-MJGOQNOKSA-N 0 3 420.554 2.997 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3ccnc(OC(F)F)c3)cc2)CC1 ZINC001130741691 1080004851 /nfs/dbraw/zinc/00/48/51/1080004851.db2.gz BVRFHUKIQCMXMW-UHFFFAOYSA-N 0 3 420.460 2.952 20 0 HFADHN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742253 1080006270 /nfs/dbraw/zinc/00/62/70/1080006270.db2.gz PCUNWGUPKDQNHH-UGKGYDQZSA-N 0 3 419.566 2.616 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812425 1080025265 /nfs/dbraw/zinc/02/52/65/1080025265.db2.gz JOKPQXFBHMZZRE-IEBWSBKVSA-N 0 3 420.554 2.997 20 0 HFADHN Cc1c2cc(Br)ccc2oc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001130807404 1080176118 /nfs/dbraw/zinc/17/61/18/1080176118.db2.gz VBHRTNFSGHRTGK-UHFFFAOYSA-N 0 3 410.312 2.596 20 0 HFADHN C[C@@H]1[C@@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000807038474 1080228853 /nfs/dbraw/zinc/22/88/53/1080228853.db2.gz HRKKUAQUVHTDHP-APWZRJJASA-N 0 3 402.539 2.816 20 0 HFADHN COc1ccc2cc(NC(=O)C(=O)N3CCN(c4ccncc4OC)CC3)ccc2c1 ZINC000807069522 1080251866 /nfs/dbraw/zinc/25/18/66/1080251866.db2.gz JHWGGRWHBYFXIM-UHFFFAOYSA-N 0 3 420.469 2.539 20 0 HFADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000807139616 1080299558 /nfs/dbraw/zinc/29/95/58/1080299558.db2.gz UMNGQOAVFSFKMU-QGZVKYPTSA-N 0 3 402.539 2.816 20 0 HFADHN CN(C)C[C@H](NC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000807150694 1080308984 /nfs/dbraw/zinc/30/89/84/1080308984.db2.gz VOXHSINUBDHGQW-HNNXBMFYSA-N 0 3 418.460 2.888 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807334481 1080535193 /nfs/dbraw/zinc/53/51/93/1080535193.db2.gz OYAGNLDTWVSFPT-UHFFFAOYSA-N 0 3 408.493 2.838 20 0 HFADHN COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000807401264 1080596201 /nfs/dbraw/zinc/59/62/01/1080596201.db2.gz LNEZVRHXTIGCIJ-NYSBEXSLSA-N 0 3 401.507 2.728 20 0 HFADHN C[C@H](NC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000807402799 1080597650 /nfs/dbraw/zinc/59/76/50/1080597650.db2.gz MOUHACLQHWSXOV-UHOSZYNNSA-N 0 3 420.554 2.613 20 0 HFADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000807461349 1080638926 /nfs/dbraw/zinc/63/89/26/1080638926.db2.gz ZARUNCOCSLVRCN-NWDGAFQWSA-N 0 3 404.363 2.977 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441117 1080661680 /nfs/dbraw/zinc/66/16/80/1080661680.db2.gz AGJJHTUNYIOYPT-GDZNZVCISA-N 0 3 405.417 2.846 20 0 HFADHN COC[C@]1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550247 1080766056 /nfs/dbraw/zinc/76/60/56/1080766056.db2.gz DZFLDZWBRNIKJP-JOCHJYFZSA-N 0 3 424.586 2.672 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000807526303 1080778196 /nfs/dbraw/zinc/77/81/96/1080778196.db2.gz BDBMVQBXGHYAKA-SFHVURJKSA-N 0 3 402.539 2.771 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000807558326 1080809087 /nfs/dbraw/zinc/80/90/87/1080809087.db2.gz AJPYQGUTQHKFMM-LJQANCHMSA-N 0 3 416.953 2.932 20 0 HFADHN COC1(c2nc(C3CCOCC3)no2)CCN(C[C@H](O)c2ccccc2C)CC1 ZINC000583615874 560776301 /nfs/dbraw/zinc/77/63/01/560776301.db2.gz IGMWXGIUQQOUQW-IBGZPJMESA-N 0 3 401.507 2.943 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389892 718824669 /nfs/dbraw/zinc/82/46/69/718824669.db2.gz KLDHHYWVXKKRIB-IRXDYDNUSA-N 0 3 413.591 2.733 20 0 HFADHN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@H]3C2)c(Cl)nn1 ZINC001164391892 718826116 /nfs/dbraw/zinc/82/61/16/718826116.db2.gz XRPBZEZDPRCGKR-YOEHRIQHSA-N 0 3 410.852 2.918 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nccnc3Cl)CC2)CC1 ZINC001164616327 719031065 /nfs/dbraw/zinc/03/10/65/719031065.db2.gz AOVORRKBTDUDCN-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164634526 719237291 /nfs/dbraw/zinc/23/72/91/719237291.db2.gz MTIRJYKSJAWCHJ-LSDHHAIUSA-N 0 3 401.580 2.541 20 0 HFADHN CC(C)CN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC001164657678 719337527 /nfs/dbraw/zinc/33/75/27/719337527.db2.gz YFBJETBVPYVUKT-UHFFFAOYSA-N 0 3 415.607 2.790 20 0 HFADHN Cn1ncc2c1CN(c1ncccc1CN1CCCC1)C[C@@H]2COc1cccnc1 ZINC001164687245 719599558 /nfs/dbraw/zinc/59/95/58/719599558.db2.gz RUADJTNQOPVRJD-LJQANCHMSA-N 0 3 404.518 2.989 20 0 HFADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164725812 720418677 /nfs/dbraw/zinc/41/86/77/720418677.db2.gz BAKIIIFFDWWEPG-TZFVZSICSA-N 0 3 403.486 2.997 20 0 HFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164730255 720427939 /nfs/dbraw/zinc/42/79/39/720427939.db2.gz IXZSLOMQHJWTHF-HUUCEWRRSA-N 0 3 412.881 2.646 20 0 HFADHN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164731134 720502578 /nfs/dbraw/zinc/50/25/78/720502578.db2.gz VYYSXWBCVJFHAN-REWPJTCUSA-N 0 3 407.518 2.697 20 0 HFADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736688 720689480 /nfs/dbraw/zinc/68/94/80/720689480.db2.gz ALDQGKIZRJHVBH-DLBZAZTESA-N 0 3 413.485 2.757 20 0 HFADHN Clc1ncc(-c2ccccc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737577 720700676 /nfs/dbraw/zinc/70/06/76/720700676.db2.gz GJBFLGKVYKCXTM-SJORKVTESA-N 0 3 408.893 2.929 20 0 HFADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737172 720728717 /nfs/dbraw/zinc/72/87/17/720728717.db2.gz AJBREFAWMFIZCD-ROUUACIJSA-N 0 3 419.485 2.543 20 0 HFADHN Clc1cccc(-c2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164738948 720771762 /nfs/dbraw/zinc/77/17/62/720771762.db2.gz HAKRQQGVNUXFFK-ZWKOTPCHSA-N 0 3 408.893 2.929 20 0 HFADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745849 720773417 /nfs/dbraw/zinc/77/34/17/720773417.db2.gz WAQXGFHHKUTZCT-WOJBJXKFSA-N 0 3 416.529 2.967 20 0 HFADHN CCc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738034 720781044 /nfs/dbraw/zinc/78/10/44/720781044.db2.gz DOLQXZACYIMAPQ-PMACEKPBSA-N 0 3 402.502 2.838 20 0 HFADHN CCN(c1ccccc1)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164744088 720790765 /nfs/dbraw/zinc/79/07/65/720790765.db2.gz HIKJGEZFPXKXDB-WOJBJXKFSA-N 0 3 417.517 2.767 20 0 HFADHN COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762083 721127332 /nfs/dbraw/zinc/12/73/32/721127332.db2.gz BVIQFHWHFLTZHA-HOTGVXAUSA-N 0 3 412.925 2.984 20 0 HFADHN Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164768427 721218902 /nfs/dbraw/zinc/21/89/02/721218902.db2.gz KZSKSDTVVNTGNB-LEWJYISDSA-N 0 3 403.534 2.847 20 0 HFADHN CCOC(=O)c1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900115 721511085 /nfs/dbraw/zinc/51/10/85/721511085.db2.gz OFVGJCWIIXBDCF-HOCLYGCPSA-N 0 3 420.872 2.788 20 0 HFADHN COC(=O)c1cccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc21 ZINC001164900683 721524327 /nfs/dbraw/zinc/52/43/27/721524327.db2.gz SYOQONIEYZQGEO-SJLPKXTDSA-N 0 3 422.460 2.897 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900306 721525479 /nfs/dbraw/zinc/52/54/79/721525479.db2.gz PZPADVBJMMMMPU-UKRRQHHQSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900306 721525483 /nfs/dbraw/zinc/52/54/83/721525483.db2.gz PZPADVBJMMMMPU-UKRRQHHQSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2[nH]1 ZINC001164900306 721525486 /nfs/dbraw/zinc/52/54/86/721525486.db2.gz PZPADVBJMMMMPU-UKRRQHHQSA-N 0 3 402.861 2.796 20 0 HFADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)c1 ZINC001164905859 721542367 /nfs/dbraw/zinc/54/23/67/721542367.db2.gz JHSDSLQICDTWEJ-MJGOQNOKSA-N 0 3 415.465 2.748 20 0 HFADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903183 721562785 /nfs/dbraw/zinc/56/27/85/721562785.db2.gz BJKRRHCBEDRTDP-AEFFLSMTSA-N 0 3 414.481 2.697 20 0 HFADHN C[C@@H]1CN(c2cc(CN(C)C)ccn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008901 721691964 /nfs/dbraw/zinc/69/19/64/721691964.db2.gz LRGXVWWPZVLEPJ-LLBVYWAGSA-N 0 3 409.534 2.941 20 0 HFADHN CN(Cc1ccc(N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1)C1CC1 ZINC001164920696 721836960 /nfs/dbraw/zinc/83/69/60/721836960.db2.gz APEFEWFASFTRRY-OFNKIYASSA-N 0 3 408.550 2.730 20 0 HFADHN O=C1NCCN(Cc2ccccc2)C12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164951500 721981408 /nfs/dbraw/zinc/98/14/08/721981408.db2.gz ZUKLWRXVNSUFMS-UHFFFAOYSA-N 0 3 419.573 2.648 20 0 HFADHN FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978223 722098934 /nfs/dbraw/zinc/09/89/34/722098934.db2.gz GGPDFVPBPVEUQB-CVEARBPZSA-N 0 3 409.868 2.797 20 0 HFADHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986230 722099056 /nfs/dbraw/zinc/09/90/56/722099056.db2.gz YLZKCBYQBJTRAY-SFTDATJTSA-N 0 3 408.550 2.729 20 0 HFADHN CCOC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164986188 722099709 /nfs/dbraw/zinc/09/97/09/722099709.db2.gz YIPGDWLPYBODGF-CTNGQTDRSA-N 0 3 410.518 2.689 20 0 HFADHN CCOC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164986197 722099909 /nfs/dbraw/zinc/09/99/09/722099909.db2.gz YIPGDWLPYBODGF-TZIWHRDSSA-N 0 3 410.518 2.689 20 0 HFADHN COC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978290 722100206 /nfs/dbraw/zinc/10/02/06/722100206.db2.gz GOZVRHDNPUWSBB-QFBILLFUSA-N 0 3 416.909 2.644 20 0 HFADHN COc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164986431 722106502 /nfs/dbraw/zinc/10/65/02/722106502.db2.gz YZQQRRCAQZHYEV-XMSQKQJNSA-N 0 3 405.502 2.761 20 0 HFADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)SCC2 ZINC001164976614 722110615 /nfs/dbraw/zinc/11/06/15/722110615.db2.gz LYHOFNCVLJYYQA-NVXWUHKLSA-N 0 3 417.966 2.901 20 0 HFADHN COC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164983138 722115843 /nfs/dbraw/zinc/11/58/43/722115843.db2.gz YJNIHHSTUOJBCB-SJLPKXTDSA-N 0 3 416.909 2.644 20 0 HFADHN FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973055 722119431 /nfs/dbraw/zinc/11/94/31/722119431.db2.gz GGRDSGXETQJFII-NVXWUHKLSA-N 0 3 409.868 2.797 20 0 HFADHN CSc1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971910 722121437 /nfs/dbraw/zinc/12/14/37/722121437.db2.gz DMYYLVMEFJDACW-CVEARBPZSA-N 0 3 405.955 2.974 20 0 HFADHN CSc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971911 722121637 /nfs/dbraw/zinc/12/16/37/722121637.db2.gz DMYYLVMEFJDACW-HOTGVXAUSA-N 0 3 405.955 2.974 20 0 HFADHN FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978864 722133915 /nfs/dbraw/zinc/13/39/15/722133915.db2.gz KBQKMFIQDIMGNI-HZPDHXFCSA-N 0 3 409.868 2.797 20 0 HFADHN CCOCc1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973375 722135356 /nfs/dbraw/zinc/13/53/56/722135356.db2.gz BZEVKRZKEWKBKA-IEBWSBKVSA-N 0 3 417.941 2.789 20 0 HFADHN CCOCc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973381 722135662 /nfs/dbraw/zinc/13/56/62/722135662.db2.gz BZEVKRZKEWKBKA-PKOBYXMFSA-N 0 3 417.941 2.789 20 0 HFADHN FC(F)(c1nccnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978064 722136620 /nfs/dbraw/zinc/13/66/20/722136620.db2.gz JMEKBMMCVJWIFY-HOTGVXAUSA-N 0 3 409.868 2.797 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@H]3C2)c1 ZINC001164983854 722139986 /nfs/dbraw/zinc/13/99/86/722139986.db2.gz VWLFFBHOFCWKLX-LEWJYISDSA-N 0 3 408.550 2.589 20 0 HFADHN Cc1noc(-c2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982220 722142673 /nfs/dbraw/zinc/14/26/73/722142673.db2.gz RKYVIPSFJWUWEF-ICSRJNTNSA-N 0 3 406.490 2.562 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984213 722147213 /nfs/dbraw/zinc/14/72/13/722147213.db2.gz WLDCBTKMNKCRPI-GMAHTHKFSA-N 0 3 416.529 2.969 20 0 HFADHN CN(Cc1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1)C1CC1 ZINC001165000407 722248342 /nfs/dbraw/zinc/24/83/42/722248342.db2.gz HVVQZKREHDQUPF-UHFFFAOYSA-N 0 3 404.474 2.874 20 0 HFADHN C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793045176 1078055251 /nfs/dbraw/zinc/05/52/51/1078055251.db2.gz WPRSHEKTUULJQA-UYAOXDASSA-N 0 3 414.550 2.985 20 0 HFADHN COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046120 1078055632 /nfs/dbraw/zinc/05/56/32/1078055632.db2.gz ZAOLDQOFSINBDK-VBHSOAQHSA-N 0 3 401.429 2.969 20 0 HFADHN C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)CN1Cc1ccccc1 ZINC000793093635 1078067534 /nfs/dbraw/zinc/06/75/34/1078067534.db2.gz SZBDGQYGJSDHPJ-QFBILLFUSA-N 0 3 402.926 2.902 20 0 HFADHN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2)C1=O ZINC000790607477 1078074403 /nfs/dbraw/zinc/07/44/03/1078074403.db2.gz CYPVTOFSHVOLJU-HSZRJFAPSA-N 0 3 416.485 2.986 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)CN1C1CC1 ZINC000790761873 1078113285 /nfs/dbraw/zinc/11/32/85/1078113285.db2.gz YUEQBTXUAIFQDC-BDAKNGLRSA-N 0 3 403.118 2.962 20 0 HFADHN C[C@@H](COC(=O)c1ccc2cncn2c1)O[C@@H](C)COC(=O)c1ccc2cncn2c1 ZINC000793280934 1078126643 /nfs/dbraw/zinc/12/66/43/1078126643.db2.gz YQAAIQWWOQJHRE-HOTGVXAUSA-N 0 3 422.441 2.789 20 0 HFADHN C[C@@H](NC(=O)c1nc(Br)ccc1Br)C1=CCN(C)CC1 ZINC000790867563 1078164137 /nfs/dbraw/zinc/16/41/37/1078164137.db2.gz UWRDZQOBTRYZDZ-SECBINFHSA-N 0 3 403.118 2.987 20 0 HFADHN COCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000747120788 1078173842 /nfs/dbraw/zinc/17/38/42/1078173842.db2.gz IBHVOVUMKGIVPJ-UHFFFAOYSA-N 0 3 424.545 2.846 20 0 HFADHN Cc1cc(C)c(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C=O ZINC000793479521 1078188027 /nfs/dbraw/zinc/18/80/27/1078188027.db2.gz QAEPIIQYHMAHBA-UHFFFAOYSA-N 0 3 407.514 2.872 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)c2cnc(Br)c(OC)c2)cc1 ZINC000793516144 1078196672 /nfs/dbraw/zinc/19/66/72/1078196672.db2.gz IIFSOJJNYYZZIN-HNNXBMFYSA-N 0 3 408.296 2.894 20 0 HFADHN C[C@]12CCN(CN3C(=O)N[C@]4(CCCN(Cc5ccccc5)C4)C3=O)C[C@H]1C2(F)F ZINC000793536313 1078206366 /nfs/dbraw/zinc/20/63/66/1078206366.db2.gz YMTNLILKKVAFRG-QMMLZNLJSA-N 0 3 418.488 2.508 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170434867 1078210416 /nfs/dbraw/zinc/21/04/16/1078210416.db2.gz ANHDWUKFASBZDX-NVJIOZQYSA-N 0 3 423.513 2.793 20 0 HFADHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000793709686 1078260209 /nfs/dbraw/zinc/26/02/09/1078260209.db2.gz PEWRLZXZRIFLHP-JBACZVJFSA-N 0 3 401.551 2.570 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000793715472 1078261981 /nfs/dbraw/zinc/26/19/81/1078261981.db2.gz YVFCIWVYLZOUGG-HNNXBMFYSA-N 0 3 411.468 2.844 20 0 HFADHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793716227 1078263343 /nfs/dbraw/zinc/26/33/43/1078263343.db2.gz ZBGBBUOHZOREOM-QZTJIDSGSA-N 0 3 420.985 2.582 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1nc(-c2ccccc2F)cs1)N1CCCCC1 ZINC000793725209 1078266939 /nfs/dbraw/zinc/26/69/39/1078266939.db2.gz RAMJUQHFLQTWIM-CQSZACIVSA-N 0 3 404.511 2.556 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCCCC1 ZINC000793727520 1078268836 /nfs/dbraw/zinc/26/88/36/1078268836.db2.gz UEQFASUNHSXSLG-HLAWJBBLSA-N 0 3 401.551 2.603 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCCCC1 ZINC000793698397 1078272523 /nfs/dbraw/zinc/27/25/23/1078272523.db2.gz KAANTUBOAZWIHE-RDTXWAMCSA-N 0 3 409.477 2.772 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCCCC1 ZINC000793698394 1078272556 /nfs/dbraw/zinc/27/25/56/1078272556.db2.gz KAANTUBOAZWIHE-KSSFIOAISA-N 0 3 409.477 2.772 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000794339067 1078419094 /nfs/dbraw/zinc/41/90/94/1078419094.db2.gz LFHXEPBBBCMDIY-LJQANCHMSA-N 0 3 409.408 2.665 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000794404162 1078436380 /nfs/dbraw/zinc/43/63/80/1078436380.db2.gz IHANBZBWQDARBQ-RBUKOAKNSA-N 0 3 420.554 2.938 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001129395213 1078437536 /nfs/dbraw/zinc/43/75/36/1078437536.db2.gz MUQHDFWPOIGYFE-NVXWUHKLSA-N 0 3 401.457 2.954 20 0 HFADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420304 1078469381 /nfs/dbraw/zinc/46/93/81/1078469381.db2.gz GSBDNXGQVNXNSK-UKRRQHHQSA-N 0 3 401.429 2.753 20 0 HFADHN CC[C@@H](Sc1nc(CC(=O)N(CC(C)C)C2CCN(C)CC2)cs1)C(N)=O ZINC001129459361 1078486235 /nfs/dbraw/zinc/48/62/35/1078486235.db2.gz IXESHWOBEDTMRL-MRXNPFEDSA-N 0 3 412.625 2.620 20 0 HFADHN CC(=O)c1ccc(NC[C@]2(C)CCN(Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804684208 1078524599 /nfs/dbraw/zinc/52/45/99/1078524599.db2.gz WGTPAXCZODBNKW-NRFANRHFSA-N 0 3 401.532 2.861 20 0 HFADHN COC(=O)N1CCC(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000804685439 1078544892 /nfs/dbraw/zinc/54/48/92/1078544892.db2.gz IUYBWUWMVDTKBR-SFHVURJKSA-N 0 3 401.551 2.924 20 0 HFADHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524865 1078564336 /nfs/dbraw/zinc/56/43/36/1078564336.db2.gz XISAPYIDIOIHBJ-DWBSNAHUSA-N 0 3 419.566 2.534 20 0 HFADHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524863 1078564452 /nfs/dbraw/zinc/56/44/52/1078564452.db2.gz XISAPYIDIOIHBJ-BDZKXGRMSA-N 0 3 419.566 2.534 20 0 HFADHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@H]3CCCN3C)cc2)C1 ZINC001129906030 1078578001 /nfs/dbraw/zinc/57/80/01/1078578001.db2.gz VFBMMLPCCQCJTC-ZIFCJYIRSA-N 0 3 407.580 2.519 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000804935175 1078760633 /nfs/dbraw/zinc/76/06/33/1078760633.db2.gz MRBKDHMEQIOCGF-NRFANRHFSA-N 0 3 416.566 2.714 20 0 HFADHN CN(C[C@H]1CCCN1C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001130098137 1078948467 /nfs/dbraw/zinc/94/84/67/1078948467.db2.gz LCMOSVPGFLKXSK-CQSZACIVSA-N 0 3 424.286 2.643 20 0 HFADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805180532 1078964958 /nfs/dbraw/zinc/96/49/58/1078964958.db2.gz KUIRLNKUINSJTO-CVDCTZTESA-N 0 3 416.610 2.724 20 0 HFADHN Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805199144 1078971396 /nfs/dbraw/zinc/97/13/96/1078971396.db2.gz XIMDYDHHLAJRFG-HSZRJFAPSA-N 0 3 412.534 2.511 20 0 HFADHN CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000805197336 1078971415 /nfs/dbraw/zinc/97/14/15/1078971415.db2.gz CISHWHARGGJYCJ-VWLOTQADSA-N 0 3 423.557 2.701 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234286 1078990190 /nfs/dbraw/zinc/99/01/90/1078990190.db2.gz NZPLMMUTFDAMBX-HZPDHXFCSA-N 0 3 400.500 2.779 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000805296007 1078992988 /nfs/dbraw/zinc/99/29/88/1078992988.db2.gz SVHWQPZOLQFWOQ-HXUWFJFHSA-N 0 3 404.555 2.921 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000805282439 1079008772 /nfs/dbraw/zinc/00/87/72/1079008772.db2.gz NZMSAUBQUSQKJT-WOJBJXKFSA-N 0 3 402.539 2.763 20 0 HFADHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000805331530 1079022350 /nfs/dbraw/zinc/02/23/50/1079022350.db2.gz OEUFPFJZZPFVHS-BDZKXGRMSA-N 0 3 419.566 2.534 20 0 HFADHN Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301329 1079193142 /nfs/dbraw/zinc/19/31/42/1079193142.db2.gz LJRHLYYSZOIXQR-VQTJNVASSA-N 0 3 419.591 2.963 20 0 HFADHN C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001130393003 1079273758 /nfs/dbraw/zinc/27/37/58/1079273758.db2.gz DICQHXJZOFVJIZ-MHECFPHRSA-N 0 3 407.514 2.971 20 0 HFADHN CC(C)(C)OC(=O)N1C[C@@H](OC(=O)C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000805947099 1079348292 /nfs/dbraw/zinc/34/82/92/1079348292.db2.gz GYTBHAWOVYQZLE-SFHVURJKSA-N 0 3 402.491 2.978 20 0 HFADHN COc1ccc2c(c1)oc(C(=O)N1CCN(CCN(C)C)C(=O)C1)c2-c1ccccc1 ZINC001130496547 1079433575 /nfs/dbraw/zinc/43/35/75/1079433575.db2.gz FIEYDNBQHJGJKH-UHFFFAOYSA-N 0 3 421.497 2.954 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1=O ZINC001130496335 1079433595 /nfs/dbraw/zinc/43/35/95/1079433595.db2.gz BCCUHTSAKNAVRP-UHFFFAOYSA-N 0 3 415.921 2.765 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1=O ZINC001130497552 1079434287 /nfs/dbraw/zinc/43/42/87/1079434287.db2.gz UYFLURWZBZDEJG-UHFFFAOYSA-N 0 3 414.120 2.541 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000806247017 1079500175 /nfs/dbraw/zinc/50/01/75/1079500175.db2.gz FINCBZPDMFPBKC-UHFFFAOYSA-N 0 3 411.568 2.840 20 0 HFADHN C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335843 1076746629 /nfs/dbraw/zinc/74/66/29/1076746629.db2.gz VWOARKMIXJMFFG-BZSNNMDCSA-N 0 3 424.586 2.669 20 0 HFADHN Cc1cccnc1C(F)(F)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000787319367 1076762665 /nfs/dbraw/zinc/76/26/65/1076762665.db2.gz QWPDMZYOFMSMNS-UHFFFAOYSA-N 0 3 402.489 2.758 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322278 1076765884 /nfs/dbraw/zinc/76/58/84/1076765884.db2.gz CZESIGJXWQVRAU-KSZLIROESA-N 0 3 424.586 2.717 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787323198 1076766826 /nfs/dbraw/zinc/76/68/26/1076766826.db2.gz ARYNJTNROFFFOW-ZIFCJYIRSA-N 0 3 424.586 2.527 20 0 HFADHN CCN1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347027 1076788408 /nfs/dbraw/zinc/78/84/08/1076788408.db2.gz RYPRBDSIJFBROL-JKSUJKDBSA-N 0 3 405.543 2.738 20 0 HFADHN C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000787663648 1076903551 /nfs/dbraw/zinc/90/35/51/1076903551.db2.gz ITBAOFHJMIAACE-AWEZNQCLSA-N 0 3 401.429 2.611 20 0 HFADHN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787673346 1076906616 /nfs/dbraw/zinc/90/66/16/1076906616.db2.gz QLBAUVDYJNNPLY-AVRDEDQJSA-N 0 3 413.562 2.875 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710647 1076922273 /nfs/dbraw/zinc/92/22/73/1076922273.db2.gz MUVOAMUHJZPLGW-LAUBAEHRSA-N 0 3 423.579 2.703 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759414 1076929108 /nfs/dbraw/zinc/92/91/08/1076929108.db2.gz GELYJUGJHUJMHC-IKGGRYGDSA-N 0 3 412.527 2.593 20 0 HFADHN Cc1nccn1-c1ccc(CN[C@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000787764100 1076930919 /nfs/dbraw/zinc/93/09/19/1076930919.db2.gz YHXBDNLQOIVZIG-CYBMUJFWSA-N 0 3 402.296 2.678 20 0 HFADHN CC(C)(C)OC(=O)NC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787729511 1076932954 /nfs/dbraw/zinc/93/29/54/1076932954.db2.gz INMOTJJYPWOOLW-IIBYNOLFSA-N 0 3 413.559 2.736 20 0 HFADHN CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000787768846 1076941651 /nfs/dbraw/zinc/94/16/51/1076941651.db2.gz YHPFUVXMHGGZKC-UHFFFAOYSA-N 0 3 401.548 2.706 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)N1CCCCC1 ZINC000787869810 1076967632 /nfs/dbraw/zinc/96/76/32/1076967632.db2.gz DHKAERZRYOAOMY-RTBURBONSA-N 0 3 424.545 2.828 20 0 HFADHN CC1(C(=O)OCCCn2cnc3c2ncnc3N)CCN(Cc2ccccc2)CC1 ZINC000772709818 1077013374 /nfs/dbraw/zinc/01/33/74/1077013374.db2.gz HTVPTQCNFZKESH-UHFFFAOYSA-N 0 3 408.506 2.644 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)O[C@@H]3CCCN(Cc4ncccn4)C3)cc2)CC1 ZINC000788064479 1077047741 /nfs/dbraw/zinc/04/77/41/1077047741.db2.gz FTXGURDSJGGWHV-JOCHJYFZSA-N 0 3 423.561 2.828 20 0 HFADHN CCN1CCN(C[C@@H](C)CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746740075 1077096420 /nfs/dbraw/zinc/09/64/20/1077096420.db2.gz CLRZWUPJCDLVQA-HNNXBMFYSA-N 0 3 402.461 2.710 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000788596363 1077216733 /nfs/dbraw/zinc/21/67/33/1077216733.db2.gz JWAKCZHITFRKOY-UHFFFAOYSA-N 0 3 411.568 2.816 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788627503 1077235697 /nfs/dbraw/zinc/23/56/97/1077235697.db2.gz YGQXZMQOQBBOLS-KRWDZBQOSA-N 0 3 411.568 2.674 20 0 HFADHN COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C[NH+]1CCCC1 ZINC000790935750 1077240454 /nfs/dbraw/zinc/24/04/54/1077240454.db2.gz JCVSYCWWZUPQGX-UHFFFAOYSA-N 0 3 423.348 2.997 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641024 1077243526 /nfs/dbraw/zinc/24/35/26/1077243526.db2.gz VBQLFMNZMFLNDS-SJORKVTESA-N 0 3 414.449 2.874 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788681276 1077248661 /nfs/dbraw/zinc/24/86/61/1077248661.db2.gz GCHJZKBRHCMLDB-OAQYLSRUSA-N 0 3 423.579 2.912 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000788671134 1077262170 /nfs/dbraw/zinc/26/21/70/1077262170.db2.gz YLYQMQQPBSOUES-NRFANRHFSA-N 0 3 423.579 2.770 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754136 1077277238 /nfs/dbraw/zinc/27/72/38/1077277238.db2.gz OTBDBBNLQYPFBR-ROUUACIJSA-N 0 3 406.523 2.945 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788832911 1077314234 /nfs/dbraw/zinc/31/42/34/1077314234.db2.gz UDHKFOXKZDCMHN-OIBXWCBGSA-N 0 3 420.557 2.949 20 0 HFADHN Cc1cc(C)c(N2CC[C@@H](NC(=O)N(CCN(C)C)Cc3ccccn3)C2=O)c(C)c1 ZINC000788932819 1077367844 /nfs/dbraw/zinc/36/78/44/1077367844.db2.gz BUMPCAOLEJSCRH-OAQYLSRUSA-N 0 3 423.561 2.886 20 0 HFADHN COCCN1CCC[C@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788998087 1077377046 /nfs/dbraw/zinc/37/70/46/1077377046.db2.gz VDGHHMOEKLOSLZ-KRWDZBQOSA-N 0 3 410.946 2.646 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)COc2ccc3ccc(=O)oc3c2)c1 ZINC000791336360 1077378005 /nfs/dbraw/zinc/37/80/05/1077378005.db2.gz LLJGDUNPUOIOFT-UHFFFAOYSA-N 0 3 410.470 2.771 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c1 ZINC000791753029 1077552672 /nfs/dbraw/zinc/55/26/72/1077552672.db2.gz XZUXDLPQSWLEKZ-GGAORHGYSA-N 0 3 423.513 2.596 20 0 HFADHN Cc1csc([C@@](O)(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C(F)(F)F)n1 ZINC000746818484 1077571669 /nfs/dbraw/zinc/57/16/69/1077571669.db2.gz ATZOQVCKUNAGSS-QAPCUYQASA-N 0 3 415.481 2.881 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000789492536 1077594365 /nfs/dbraw/zinc/59/43/65/1077594365.db2.gz XJOOIIRFTLGECW-UHFFFAOYSA-N 0 3 410.971 2.850 20 0 HFADHN O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000791940510 1077600524 /nfs/dbraw/zinc/60/05/24/1077600524.db2.gz UMRQMNUCGTWTSZ-KDURUIRLSA-N 0 3 418.472 2.576 20 0 HFADHN CN1CCN(c2ccncc2NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746842341 1077715976 /nfs/dbraw/zinc/71/59/76/1077715976.db2.gz UVUSEQULYWSOME-UHFFFAOYSA-N 0 3 403.527 2.609 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCCC[C@@H]1C1OCCO1 ZINC000792275053 1077789487 /nfs/dbraw/zinc/78/94/87/1077789487.db2.gz BQSXXOOWXFOAFC-UYSNPLJNSA-N 0 3 405.461 2.729 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc4c3CCN(CC(C)(C)O)C4)C2)c1 ZINC000792315477 1077804142 /nfs/dbraw/zinc/80/41/42/1077804142.db2.gz AOUTVUASFHRZBW-JOCHJYFZSA-N 0 3 423.513 2.956 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]3C)cc2)CC1 ZINC000792385110 1077847949 /nfs/dbraw/zinc/84/79/49/1077847949.db2.gz DTDJEYOIGHPZEG-PBHICJAKSA-N 0 3 412.456 2.566 20 0 HFADHN CCc1c(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnn1-c1ccccc1C ZINC000792493891 1077866224 /nfs/dbraw/zinc/86/62/24/1077866224.db2.gz ZLTCAFVFUWUPLG-UHFFFAOYSA-N 0 3 424.549 2.515 20 0 HFADHN CC(C)(C)OC(=O)NC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000792556699 1077902467 /nfs/dbraw/zinc/90/24/67/1077902467.db2.gz YCPAWZWGRODGBP-UHFFFAOYSA-N 0 3 405.461 2.965 20 0 HFADHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790038488 1077907245 /nfs/dbraw/zinc/90/72/45/1077907245.db2.gz IXRIXASRVFQFBU-RDJZCZTQSA-N 0 3 411.568 2.672 20 0 HFADHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790041305 1077908352 /nfs/dbraw/zinc/90/83/52/1077908352.db2.gz LNJFXFQTEZAIMA-DOTOQJQBSA-N 0 3 411.568 2.815 20 0 HFADHN CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000792560470 1077911428 /nfs/dbraw/zinc/91/14/28/1077911428.db2.gz IHGPLJPPVJQHKS-LLVKDONJSA-N 0 3 422.378 2.894 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000790012217 1077912679 /nfs/dbraw/zinc/91/26/79/1077912679.db2.gz SUQBMVLPTGWGRH-UHFFFAOYSA-N 0 3 401.532 2.744 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccccc1OCC(F)(F)F ZINC000790019125 1077915897 /nfs/dbraw/zinc/91/58/97/1077915897.db2.gz QCIHIEIFVXGZLR-UHFFFAOYSA-N 0 3 421.441 2.770 20 0 HFADHN CCOCN(C(=O)CN1CCN(CC2CCOCC2)CC1)c1c(C)cccc1CC ZINC000790080963 1077925781 /nfs/dbraw/zinc/92/57/81/1077925781.db2.gz RJYPBNQXGOGSGP-UHFFFAOYSA-N 0 3 417.594 2.929 20 0 HFADHN CC(C)CN(C(=O)CN1CCCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001170341713 1077953673 /nfs/dbraw/zinc/95/36/73/1077953673.db2.gz CFSJMPOZBOBTQL-UHFFFAOYSA-N 0 3 421.586 2.832 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001170349963 1077955547 /nfs/dbraw/zinc/95/55/47/1077955547.db2.gz VSTOJBHBYKDSBJ-QZTJIDSGSA-N 0 3 407.555 2.536 20 0 HFADHN CN(Cc1ccc(F)cc1Br)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000790292466 1077987574 /nfs/dbraw/zinc/98/75/74/1077987574.db2.gz KOFGLQGQPPBPHW-HUUCEWRRSA-N 0 3 400.292 2.593 20 0 HFADHN CN(Cc1ccc(F)cc1Br)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000790292467 1077987591 /nfs/dbraw/zinc/98/75/91/1077987591.db2.gz KOFGLQGQPPBPHW-LSDHHAIUSA-N 0 3 400.292 2.593 20 0 HFADHN CCOc1ccccc1CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747089366 1078011816 /nfs/dbraw/zinc/01/18/16/1078011816.db2.gz ALBHYJJHVOYYEQ-GOSISDBHSA-N 0 3 405.539 2.938 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000792880770 1078016696 /nfs/dbraw/zinc/01/66/96/1078016696.db2.gz VAXSYZZMXJHAKA-LEWJYISDSA-N 0 3 419.566 2.503 20 0 HFADHN COC(=O)[C@H](COCc1ccccc1)Nc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001170137734 1078043406 /nfs/dbraw/zinc/04/34/06/1078043406.db2.gz HGXNOKPTEBDGEC-SFHVURJKSA-N 0 3 414.506 2.695 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000806254937 1079523254 /nfs/dbraw/zinc/52/32/54/1079523254.db2.gz XLMRPRIHAZBRGW-QHAWAJNXSA-N 0 3 419.541 2.621 20 0 HFADHN CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504636 1079533404 /nfs/dbraw/zinc/53/34/04/1079533404.db2.gz GQFHVQIBHCUTQM-IKGGRYGDSA-N 0 3 414.543 2.696 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282442 1079546568 /nfs/dbraw/zinc/54/65/68/1079546568.db2.gz LAXMTERUAIDFFV-WMLDXEAASA-N 0 3 408.524 2.580 20 0 HFADHN CCc1ccc([C@H](CNC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)N(C)C)cc1 ZINC000806308575 1079562512 /nfs/dbraw/zinc/56/25/12/1079562512.db2.gz VVXQRUAFQROBRA-QFBILLFUSA-N 0 3 415.456 2.989 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806290927 1079576152 /nfs/dbraw/zinc/57/61/52/1079576152.db2.gz XUGIRPIMYGKDMX-PKTZIBPZSA-N 0 3 423.557 2.513 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000806292478 1079581250 /nfs/dbraw/zinc/58/12/50/1079581250.db2.gz NSJQLFBNZJIIMQ-SFHVURJKSA-N 0 3 406.433 2.514 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325259 1079594704 /nfs/dbraw/zinc/59/47/04/1079594704.db2.gz GHHNHEVDWDHBID-GJZGRUSLSA-N 0 3 403.573 2.921 20 0 HFADHN C[C@@]1(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CCN(Cc2ccccc2)C1 ZINC001130610040 1079629430 /nfs/dbraw/zinc/62/94/30/1079629430.db2.gz PKHWPGOHWQHXDD-JOCHJYFZSA-N 0 3 416.543 2.640 20 0 HFADHN CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)N(C)C)cc1 ZINC000806382714 1079632493 /nfs/dbraw/zinc/63/24/93/1079632493.db2.gz SUUVTEUWOOSHHS-OAQYLSRUSA-N 0 3 421.549 2.963 20 0 HFADHN CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)N(C)C)cc1 ZINC000806382663 1079632521 /nfs/dbraw/zinc/63/25/21/1079632521.db2.gz QXOFVQCZDCJWQK-HXUWFJFHSA-N 0 3 423.521 2.552 20 0 HFADHN CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)N(C)C)cc1 ZINC000806382713 1079632527 /nfs/dbraw/zinc/63/25/27/1079632527.db2.gz SUUVTEUWOOSHHS-NRFANRHFSA-N 0 3 421.549 2.963 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)N3CCCC[C@H]3COC(=O)N(C)C)c2)CC1 ZINC000806431141 1079676702 /nfs/dbraw/zinc/67/67/02/1079676702.db2.gz MXWVUFIZZMOVMW-FQEVSTJZSA-N 0 3 417.554 2.913 20 0 HFADHN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000806438181 1079706124 /nfs/dbraw/zinc/70/61/24/1079706124.db2.gz YMIYHIJAMFFKNA-QGZVFWFLSA-N 0 3 412.600 2.610 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)CC1 ZINC000806540962 1079778500 /nfs/dbraw/zinc/77/85/00/1079778500.db2.gz MVZXYEONONDWMC-HXUWFJFHSA-N 0 3 424.586 2.530 20 0 HFADHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747341695 1079876061 /nfs/dbraw/zinc/87/60/61/1079876061.db2.gz HKBLIESKTQHYHR-QZTJIDSGSA-N 0 3 402.926 2.795 20 0 HFADHN CC(C)(C)OC(=O)CS(=O)(=O)CCNCCc1nc2cc(Cl)ccc2s1 ZINC000806626670 1079885067 /nfs/dbraw/zinc/88/50/67/1079885067.db2.gz YWCCBUXOUQPVQS-UHFFFAOYSA-N 0 3 418.968 2.838 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343195 1079906090 /nfs/dbraw/zinc/90/60/90/1079906090.db2.gz OSSYBOKNFSBPRH-SJORKVTESA-N 0 3 409.515 2.589 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343192 1079906174 /nfs/dbraw/zinc/90/61/74/1079906174.db2.gz OSSYBOKNFSBPRH-IRXDYDNUSA-N 0 3 409.515 2.589 20 0 HFADHN COc1cccc(OCCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130732709 1079970310 /nfs/dbraw/zinc/97/03/10/1079970310.db2.gz BBLPISLTHZSYNQ-XZOQPEGZSA-N 0 3 410.514 2.966 20 0 HFADHN COC(=O)c1cccc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)c1 ZINC001130741949 1080004549 /nfs/dbraw/zinc/00/45/49/1080004549.db2.gz GBTMLXPVSORSJG-UHFFFAOYSA-N 0 3 411.502 2.742 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)CCC(=O)OC(C)(C)C)cc2)CC1 ZINC001130741715 1080004758 /nfs/dbraw/zinc/00/47/58/1080004758.db2.gz CCUOIHXBEUIMIV-UHFFFAOYSA-N 0 3 405.539 2.763 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000806811944 1080025723 /nfs/dbraw/zinc/02/57/23/1080025723.db2.gz YVRKBVNURJKWQJ-UXHICEINSA-N 0 3 402.539 2.961 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806851657 1080036434 /nfs/dbraw/zinc/03/64/34/1080036434.db2.gz VWQRLXRUCQLSPX-UHFFFAOYSA-N 0 3 418.588 2.504 20 0 HFADHN CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000747363146 1080062978 /nfs/dbraw/zinc/06/29/78/1080062978.db2.gz APYJENOGJPXQRT-UHFFFAOYSA-N 0 3 401.536 2.995 20 0 HFADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806947811 1080156561 /nfs/dbraw/zinc/15/65/61/1080156561.db2.gz NRCUPTGCPDQOOO-INIZCTEOSA-N 0 3 410.518 2.589 20 0 HFADHN CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000805276939 1080317614 /nfs/dbraw/zinc/31/76/14/1080317614.db2.gz LTRWXHCXMMSRPN-VNAOOCAESA-N 0 3 410.518 2.661 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC001130895430 1080431790 /nfs/dbraw/zinc/43/17/90/1080431790.db2.gz PKKNWHKYYILZJR-AWEZNQCLSA-N 0 3 415.987 2.973 20 0 HFADHN CCOC(=O)C1=C(Nc2cc(Br)cc3c2N(C(C)=O)CC3)CCNC1 ZINC001170521940 1080485761 /nfs/dbraw/zinc/48/57/61/1080485761.db2.gz QGRPSZJWOKSAID-UHFFFAOYSA-N 0 3 408.296 2.581 20 0 HFADHN COc1cc(OC)cc([C@H](O)CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000807400014 1080595087 /nfs/dbraw/zinc/59/50/87/1080595087.db2.gz WFFGYWOLVOFRHN-RVHYNSKXSA-N 0 3 401.507 2.728 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1)c1ccco1 ZINC000807441701 1080663492 /nfs/dbraw/zinc/66/34/92/1080663492.db2.gz NDIXLIHPQUGVSC-BSDSXHPESA-N 0 3 405.495 2.836 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807443999 1080664777 /nfs/dbraw/zinc/66/47/77/1080664777.db2.gz XKYPJNVZGWJKMG-BBWFWOEESA-N 0 3 424.542 2.644 20 0 HFADHN Cc1cccc(F)c1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000807520561 1080773816 /nfs/dbraw/zinc/77/38/16/1080773816.db2.gz ILMBLYSCTRMJBN-UHFFFAOYSA-N 0 3 407.436 2.619 20 0 HFADHN CCOC(=O)N[C@H]1CCCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807590039 1080788542 /nfs/dbraw/zinc/78/85/42/1080788542.db2.gz ZYWZCYRNPHMGGS-AZUAARDMSA-N 0 3 420.554 2.997 20 0 HFADHN CN(C)Cc1cnc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001461634938 1126195427 /nfs/dbraw/zinc/19/54/27/1126195427.db2.gz SNFJUQPRYZENQU-SFHVURJKSA-N 0 3 410.381 2.977 20 0 HFADHN COc1ccc(C[C@](C)(CO)NCc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC001474698115 1126205207 /nfs/dbraw/zinc/20/52/07/1126205207.db2.gz LTNJRCLDGOEHHJ-OAQYLSRUSA-N 0 3 402.495 2.916 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nccc(Cl)n3)CC2)CC1 ZINC001164613742 719022604 /nfs/dbraw/zinc/02/26/04/719022604.db2.gz BMNNAUOIZFQKNQ-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc3c(Cl)ncnc3c2)c2c1CCNC2 ZINC001164679726 719634430 /nfs/dbraw/zinc/63/44/30/719634430.db2.gz KOHIRKXPJXNVNQ-UHFFFAOYSA-N 0 3 421.883 2.958 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164689906 719748756 /nfs/dbraw/zinc/74/87/56/719748756.db2.gz OIRPYAKRDFRADR-UHFFFAOYSA-N 0 3 401.461 2.603 20 0 HFADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164725821 720419268 /nfs/dbraw/zinc/41/92/68/720419268.db2.gz BAKIIIFFDWWEPG-WEPWYQGCSA-N 0 3 403.486 2.997 20 0 HFADHN Clc1ncc(-c2ccccc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737576 720701643 /nfs/dbraw/zinc/70/16/43/720701643.db2.gz GJBFLGKVYKCXTM-IRXDYDNUSA-N 0 3 408.893 2.929 20 0 HFADHN Cc1nc2c3ccccc3oc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739492 720726115 /nfs/dbraw/zinc/72/61/15/720726115.db2.gz IYABVENGAJURBR-HOTGVXAUSA-N 0 3 402.458 2.816 20 0 HFADHN Cc1ccc(C)c(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164741147 720773755 /nfs/dbraw/zinc/77/37/55/720773755.db2.gz MJSXQVCMJXQPGQ-RTBURBONSA-N 0 3 402.502 2.892 20 0 HFADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748303 720791706 /nfs/dbraw/zinc/79/17/06/720791706.db2.gz QNPKPPMBMQQWAK-UONOGXRCSA-N 0 3 400.845 2.554 20 0 HFADHN Cc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747536 720800228 /nfs/dbraw/zinc/80/02/28/720800228.db2.gz OOTNTYYLUVPAJJ-IRXDYDNUSA-N 0 3 423.908 2.632 20 0 HFADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749277 720801680 /nfs/dbraw/zinc/80/16/80/720801680.db2.gz SXTWWNSCOLYWPK-MOPGFXCFSA-N 0 3 406.465 2.723 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866095 721044611 /nfs/dbraw/zinc/04/46/11/721044611.db2.gz CSFLFLVQTSOXFC-UONOGXRCSA-N 0 3 402.861 2.625 20 0 HFADHN COc1cc2ncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164867371 721082453 /nfs/dbraw/zinc/08/24/53/721082453.db2.gz YEXIVFMABDLYHR-MSOLQXFVSA-N 0 3 421.501 2.522 20 0 HFADHN c1ccc(COc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864033 721086628 /nfs/dbraw/zinc/08/66/28/721086628.db2.gz DNPNUIGTRIOHJE-YADHBBJMSA-N 0 3 417.513 2.930 20 0 HFADHN CC(C)(C)OC(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865648 721087083 /nfs/dbraw/zinc/08/70/83/721087083.db2.gz NWDOVYSWAKSQNM-VQTJNVASSA-N 0 3 410.518 2.912 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@@H]3C2)cn1 ZINC001164763696 721087175 /nfs/dbraw/zinc/08/71/75/721087175.db2.gz GRIWMYBOSWYPJO-CABCVRRESA-N 0 3 404.971 2.611 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(C)c2c1 ZINC001164864670 721103826 /nfs/dbraw/zinc/10/38/26/721103826.db2.gz GNUDMWMKGFOJHW-QUCCMNQESA-N 0 3 405.502 2.822 20 0 HFADHN CSc1nc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164863343 721116090 /nfs/dbraw/zinc/11/60/90/721116090.db2.gz BZHHWAQQQIXZSI-LSDHHAIUSA-N 0 3 414.560 2.683 20 0 HFADHN c1ccc(Cc2nccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880329 721160528 /nfs/dbraw/zinc/16/05/28/721160528.db2.gz VYUPBXJVGLFCPN-FCHUYYIVSA-N 0 3 401.514 2.942 20 0 HFADHN CC(C)n1cnc2c1nc(Cl)nc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763409 721172614 /nfs/dbraw/zinc/17/26/14/721172614.db2.gz FVHHGPSHEUJJBL-HZPDHXFCSA-N 0 3 414.945 2.752 20 0 HFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164877021 721175051 /nfs/dbraw/zinc/17/50/51/721175051.db2.gz NYRYRBCZNHKSTJ-PMACEKPBSA-N 0 3 418.501 2.884 20 0 HFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc2)C1 ZINC001164769394 721196433 /nfs/dbraw/zinc/19/64/33/721196433.db2.gz MFFUUSJVAPAYIA-STZQEDGTSA-N 0 3 422.577 2.646 20 0 HFADHN COC(=O)c1cc2ccccc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164770921 721209727 /nfs/dbraw/zinc/20/97/27/721209727.db2.gz PFMXOMYEDDAFDJ-RTBURBONSA-N 0 3 405.502 2.713 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164761902 721228928 /nfs/dbraw/zinc/22/89/28/721228928.db2.gz JZWGFWJBJBENGD-MOPGFXCFSA-N 0 3 414.517 2.507 20 0 HFADHN COc1cc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164768088 721234299 /nfs/dbraw/zinc/23/42/99/721234299.db2.gz XVZICBHFMKWMEA-ROUUACIJSA-N 0 3 407.518 2.944 20 0 HFADHN Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896106 721432313 /nfs/dbraw/zinc/43/23/13/721432313.db2.gz QNGVIJNYBBHLAT-QPPBQGQZSA-N 0 3 422.577 2.612 20 0 HFADHN Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898417 721438872 /nfs/dbraw/zinc/43/88/72/721438872.db2.gz VYOAQPOURFOFJD-XXBNENTESA-N 0 3 401.599 2.848 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903422 721540752 /nfs/dbraw/zinc/54/07/52/721540752.db2.gz CLEWJYVAGMOJGQ-WMZOPIPTSA-N 0 3 414.481 2.913 20 0 HFADHN CN(Cc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164812233 721583185 /nfs/dbraw/zinc/58/31/85/721583185.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 0 3 407.562 2.939 20 0 HFADHN F[C@@H](Oc1ccc(Cl)nn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164965837 722062420 /nfs/dbraw/zinc/06/24/20/722062420.db2.gz LVSZVHJQVIRZCJ-LJQANCHMSA-N 0 3 421.904 2.772 20 0 HFADHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978205 722098981 /nfs/dbraw/zinc/09/89/81/722098981.db2.gz GESKSEBFPUUXLC-LEWJYISDSA-N 0 3 408.550 2.508 20 0 HFADHN CCOC(=O)c1ccc(C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977257 722099043 /nfs/dbraw/zinc/09/90/43/722099043.db2.gz FKGVRFONTDBLIA-TZIWHRDSSA-N 0 3 410.518 2.689 20 0 HFADHN CCOC(=O)c1cc(C)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983442 722105819 /nfs/dbraw/zinc/10/58/19/722105819.db2.gz QDUDMQVIWJMTKT-FPOVZHCZSA-N 0 3 410.518 2.689 20 0 HFADHN COC(=O)c1cc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983360 722106169 /nfs/dbraw/zinc/10/61/69/722106169.db2.gz PQMPOTMKZQIIAY-VQIMIIECSA-N 0 3 416.909 2.644 20 0 HFADHN COc1cccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985186 722106229 /nfs/dbraw/zinc/10/62/29/722106229.db2.gz VGQFSGKPAWTERB-WIYYLYMNSA-N 0 3 405.502 2.761 20 0 HFADHN COC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164983133 722115110 /nfs/dbraw/zinc/11/51/10/722115110.db2.gz YJNIHHSTUOJBCB-AEFFLSMTSA-N 0 3 416.909 2.644 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164972706 722128689 /nfs/dbraw/zinc/12/86/89/722128689.db2.gz AIBJWLJPOQOBHQ-SFTDATJTSA-N 0 3 408.550 2.589 20 0 HFADHN Cc1noc(-c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982682 722145264 /nfs/dbraw/zinc/14/52/64/722145264.db2.gz RYCDOIQDYDIRNZ-WOJBJXKFSA-N 0 3 406.490 2.562 20 0 HFADHN [O-][n+]1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1Cl ZINC001164976218 722157247 /nfs/dbraw/zinc/15/72/47/722157247.db2.gz UZTNZMUTTUAHGS-WMZOPIPTSA-N 0 3 424.879 2.641 20 0 HFADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792994736 1078043551 /nfs/dbraw/zinc/04/35/51/1078043551.db2.gz GOTDDMNSOMHKJE-HNNXBMFYSA-N 0 3 417.307 2.516 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(Cl)n3)c(C)c2)CC1 ZINC000793034560 1078052559 /nfs/dbraw/zinc/05/25/59/1078052559.db2.gz HEUUAVMVWUZCCJ-UHFFFAOYSA-N 0 3 401.898 2.763 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793042659 1078054387 /nfs/dbraw/zinc/05/43/87/1078054387.db2.gz PWVHDAHFJLEWDK-MRXNPFEDSA-N 0 3 401.898 2.582 20 0 HFADHN Cc1nn(C)c2ncc(CNCc3ccc(N4C(=O)N[C@](C)(C5CC5)C4=O)cc3)cc12 ZINC000790605273 1078065421 /nfs/dbraw/zinc/06/54/21/1078065421.db2.gz BERARPGZNZYLFX-HSZRJFAPSA-N 0 3 418.501 2.791 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793092593 1078067116 /nfs/dbraw/zinc/06/71/16/1078067116.db2.gz FXBGMUWFKNHISX-MAUKXSAKSA-N 0 3 414.333 2.738 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC001170426363 1078084575 /nfs/dbraw/zinc/08/45/75/1078084575.db2.gz RFRGXPBIKBRHQV-OALUTQOASA-N 0 3 412.486 2.704 20 0 HFADHN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=S)NC1CCN(C)CC1 ZINC000793309448 1078124466 /nfs/dbraw/zinc/12/44/66/1078124466.db2.gz YDSMAAHIAKVTRH-UHFFFAOYSA-N 0 3 410.587 2.793 20 0 HFADHN C[C@@]1(NCc2ccc(S(C)(=O)=O)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345061 1078131165 /nfs/dbraw/zinc/13/11/65/1078131165.db2.gz XBTQDRAVMJINAR-OAQYLSRUSA-N 0 3 402.516 2.981 20 0 HFADHN C[C@]1(NCc2cnc(N3CCOCC3)s2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344684 1078131520 /nfs/dbraw/zinc/13/15/20/1078131520.db2.gz VBBPTOYUCTZFGM-NRFANRHFSA-N 0 3 416.547 2.871 20 0 HFADHN CC(C)N1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793384929 1078162211 /nfs/dbraw/zinc/16/22/11/1078162211.db2.gz QBKJLJNJCUMCFV-WOJBJXKFSA-N 0 3 410.518 2.521 20 0 HFADHN COC(=O)[C@@H]1CC(=O)N(CN2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000793726637 1078268178 /nfs/dbraw/zinc/26/81/78/1078268178.db2.gz YFPRVGXKRIKAIW-FGZHOGPDSA-N 0 3 415.578 2.631 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1)N1CCCCC1 ZINC000793714803 1078262369 /nfs/dbraw/zinc/26/23/69/1078262369.db2.gz TYRIXOIDKONIKD-INIZCTEOSA-N 0 3 414.481 2.620 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCCCC1 ZINC000793714732 1078262715 /nfs/dbraw/zinc/26/27/15/1078262715.db2.gz SYEVAEDNZKTTTD-JHJVBQTASA-N 0 3 417.394 2.566 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000793724258 1078266792 /nfs/dbraw/zinc/26/67/92/1078266792.db2.gz YGMPWERJZSDHQA-CQSZACIVSA-N 0 3 416.349 2.617 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)N1CCCCC1 ZINC000793694817 1078271271 /nfs/dbraw/zinc/27/12/71/1078271271.db2.gz BNNMOLQZKSHIEU-SJORKVTESA-N 0 3 418.607 2.719 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)N1CCCCC1 ZINC000793694788 1078271372 /nfs/dbraw/zinc/27/13/72/1078271372.db2.gz BMKXAWILDCMDJV-IRXDYDNUSA-N 0 3 414.575 2.993 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1)N1CCCCC1 ZINC000793700938 1078273802 /nfs/dbraw/zinc/27/38/02/1078273802.db2.gz NBFJMPCJXDOYLY-JKSUJKDBSA-N 0 3 424.383 2.877 20 0 HFADHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC000793855095 1078324541 /nfs/dbraw/zinc/32/45/41/1078324541.db2.gz XRZJVGCBIDMMBH-MJGOQNOKSA-N 0 3 415.559 2.641 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793950644 1078344775 /nfs/dbraw/zinc/34/47/75/1078344775.db2.gz OZKFEACYBWWTHJ-PKOBYXMFSA-N 0 3 409.615 2.961 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2)CC1 ZINC000794217016 1078394771 /nfs/dbraw/zinc/39/47/71/1078394771.db2.gz BKJGLENDBCZGRK-PMOLBWCYSA-N 0 3 414.550 2.880 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001170445534 1078415010 /nfs/dbraw/zinc/41/50/10/1078415010.db2.gz WXWLUJAZNKQXOL-HXUWFJFHSA-N 0 3 424.545 2.795 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001129395214 1078437772 /nfs/dbraw/zinc/43/77/72/1078437772.db2.gz MUQHDFWPOIGYFE-WBVHZDCISA-N 0 3 401.457 2.954 20 0 HFADHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001129905784 1078577962 /nfs/dbraw/zinc/57/79/62/1078577962.db2.gz PVBXBNAKTIWQKU-ZDUSSCGKSA-N 0 3 401.960 2.583 20 0 HFADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730154 1078588879 /nfs/dbraw/zinc/58/88/79/1078588879.db2.gz YGGXBBGJEASFPV-SJLPKXTDSA-N 0 3 409.452 2.622 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000804566086 1078601114 /nfs/dbraw/zinc/60/11/14/1078601114.db2.gz JIBODNXKCDUWEY-UHFFFAOYSA-N 0 3 413.559 2.851 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)CCc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC000804566889 1078602361 /nfs/dbraw/zinc/60/23/61/1078602361.db2.gz HMMWYLPKIOUYFO-UHFFFAOYSA-N 0 3 401.555 2.536 20 0 HFADHN CCN1C[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1=O ZINC001129677162 1078665471 /nfs/dbraw/zinc/66/54/71/1078665471.db2.gz DZGZXZLSNRARGQ-BAGYTPMASA-N 0 3 409.505 2.778 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)c2ccc(-c3ccccc3)cc2)n1 ZINC000804618838 1078668559 /nfs/dbraw/zinc/66/85/59/1078668559.db2.gz WHZOBRVMTDKGDR-IBGZPJMESA-N 0 3 408.506 2.909 20 0 HFADHN CCN(c1ccnc(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736238 1078682703 /nfs/dbraw/zinc/68/27/03/1078682703.db2.gz YJYSUZSGIONOIO-OALUTQOASA-N 0 3 411.554 2.653 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000804904052 1078759780 /nfs/dbraw/zinc/75/97/80/1078759780.db2.gz UHPZRSSKBQHDTL-QFBILLFUSA-N 0 3 413.440 2.961 20 0 HFADHN CCCN(C)[C@@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(Cl)cc1 ZINC000805019727 1078830380 /nfs/dbraw/zinc/83/03/80/1078830380.db2.gz KCKTYQQBAJVDCZ-HNNXBMFYSA-N 0 3 412.943 2.718 20 0 HFADHN COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000805110753 1078895188 /nfs/dbraw/zinc/89/51/88/1078895188.db2.gz HAIFSCCMUJSNQL-RISCZKNCSA-N 0 3 421.332 2.844 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000805119037 1078902272 /nfs/dbraw/zinc/90/22/72/1078902272.db2.gz HFJPTVCRRBZNRD-APWZRJJASA-N 0 3 413.440 2.788 20 0 HFADHN O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747230933 1078945528 /nfs/dbraw/zinc/94/55/28/1078945528.db2.gz DBQUIUUHDRWMIG-AEFFLSMTSA-N 0 3 408.589 2.914 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(C(C)=O)s3)cc2)CC1 ZINC000805169332 1078957273 /nfs/dbraw/zinc/95/72/73/1078957273.db2.gz DRHBRLGNDNNBPX-UHFFFAOYSA-N 0 3 415.515 2.888 20 0 HFADHN CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805196164 1078969991 /nfs/dbraw/zinc/96/99/91/1078969991.db2.gz OSQXNGZTPRXJFI-JOCHJYFZSA-N 0 3 414.937 2.864 20 0 HFADHN C[C@]1(CNC(=O)C(=O)NCCc2ccc(Cl)nc2)CCCN1Cc1ccccc1 ZINC000805197969 1078971021 /nfs/dbraw/zinc/97/10/21/1078971021.db2.gz JYHPRIVTYGJXPJ-JOCHJYFZSA-N 0 3 414.937 2.565 20 0 HFADHN CCCCCCn1nc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccccc2c1=O ZINC000747236309 1078994743 /nfs/dbraw/zinc/99/47/43/1078994743.db2.gz LIUDQTLXFLOLJS-QZTJIDSGSA-N 0 3 412.534 2.570 20 0 HFADHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747235338 1079009027 /nfs/dbraw/zinc/00/90/27/1079009027.db2.gz CNDQPPRTRXZXKW-HZPDHXFCSA-N 0 3 402.520 2.572 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000805293362 1079015079 /nfs/dbraw/zinc/01/50/79/1079015079.db2.gz MNDKODNBLXQXNX-ALKREAHSSA-N 0 3 413.440 2.644 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000805415827 1079076342 /nfs/dbraw/zinc/07/63/42/1079076342.db2.gz VAKCERBWQWKCCI-NRFANRHFSA-N 0 3 416.566 2.959 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCC2)c(Cl)cc1Cl ZINC000747244826 1079094961 /nfs/dbraw/zinc/09/49/61/1079094961.db2.gz AUAVMKYEZBQRRK-UHFFFAOYSA-N 0 3 409.335 2.933 20 0 HFADHN Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301330 1079193214 /nfs/dbraw/zinc/19/32/14/1079193214.db2.gz LJRHLYYSZOIXQR-WOJBJXKFSA-N 0 3 419.591 2.963 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000805833244 1079272852 /nfs/dbraw/zinc/27/28/52/1079272852.db2.gz VSWIFXJKDIIATF-SFHVURJKSA-N 0 3 402.539 2.771 20 0 HFADHN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1)CCC2 ZINC000805940543 1079343703 /nfs/dbraw/zinc/34/37/03/1079343703.db2.gz STGMLMGMVQUMJH-PXNSSMCTSA-N 0 3 411.550 2.594 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)CC1 ZINC001130541315 1079461956 /nfs/dbraw/zinc/46/19/56/1079461956.db2.gz AEJBSWINTUQPAD-OAQYLSRUSA-N 0 3 422.529 2.767 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)CC1 ZINC001130541727 1079462519 /nfs/dbraw/zinc/46/25/19/1079462519.db2.gz HUISPYVFYODPQC-UHFFFAOYSA-N 0 3 420.517 2.536 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC001130544331 1079475882 /nfs/dbraw/zinc/47/58/82/1079475882.db2.gz NMLGIDHKTGMRGO-LJQANCHMSA-N 0 3 401.551 2.991 20 0 HFADHN CN(C)C[C@@H](NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000806247438 1079501165 /nfs/dbraw/zinc/50/11/65/1079501165.db2.gz MEAZXCPKGYRYPS-LJQANCHMSA-N 0 3 423.510 2.674 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787332488 1076745205 /nfs/dbraw/zinc/74/52/05/1076745205.db2.gz LNDJXQIMLBDQKC-SCTDSRPQSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326661 1076769414 /nfs/dbraw/zinc/76/94/14/1076769414.db2.gz QBTUGEYEIIGQKP-ZWKOTPCHSA-N 0 3 424.586 2.671 20 0 HFADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC001170072349 1076773116 /nfs/dbraw/zinc/77/31/16/1076773116.db2.gz KDNAIAPDZVIXEA-IAGOWNOFSA-N 0 3 405.502 2.587 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1cccc(COCc2ccco2)c1)N1CCCCC1 ZINC000787498863 1076826685 /nfs/dbraw/zinc/82/66/85/1076826685.db2.gz PSNHFPSWQNGOAQ-GOSISDBHSA-N 0 3 413.518 2.603 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC[C@H]3CCCCN3C3CC3)[nH]n2)C1 ZINC000787582072 1076871993 /nfs/dbraw/zinc/87/19/93/1076871993.db2.gz ROEMKBGTMCETRS-NVXWUHKLSA-N 0 3 417.554 2.881 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000787680037 1076908971 /nfs/dbraw/zinc/90/89/71/1076908971.db2.gz ZZQXBWLAUVFXKA-SCTDSRPQSA-N 0 3 409.571 2.734 20 0 HFADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000787694948 1076915479 /nfs/dbraw/zinc/91/54/79/1076915479.db2.gz UIBSJSOZVCYUAS-UHFFFAOYSA-N 0 3 422.529 2.981 20 0 HFADHN CN(Cc1ccccc1)Cc1cccc(C(=O)OCc2nc(-c3nc[nH]n3)no2)c1 ZINC000787785930 1076945521 /nfs/dbraw/zinc/94/55/21/1076945521.db2.gz LYKNNHMUDLZPEK-UHFFFAOYSA-N 0 3 404.430 2.844 20 0 HFADHN C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCc2nc(-c3nc[n-]n3)no2)c1 ZINC000787785930 1076945524 /nfs/dbraw/zinc/94/55/24/1076945524.db2.gz LYKNNHMUDLZPEK-UHFFFAOYSA-N 0 3 404.430 2.844 20 0 HFADHN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OCc2nc(-c3nc[n-]n3)no2)c1 ZINC000787785930 1076945527 /nfs/dbraw/zinc/94/55/27/1076945527.db2.gz LYKNNHMUDLZPEK-UHFFFAOYSA-N 0 3 404.430 2.844 20 0 HFADHN CCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1OC ZINC000787867843 1076987751 /nfs/dbraw/zinc/98/77/51/1076987751.db2.gz FRDSUQGJNHHQJZ-IRXDYDNUSA-N 0 3 405.539 2.652 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)cnc1Cl ZINC000787898804 1077004194 /nfs/dbraw/zinc/00/41/94/1077004194.db2.gz NZSRPOHQOFSRDQ-KRWDZBQOSA-N 0 3 415.925 2.890 20 0 HFADHN COCN1C(=O)CCc2cc(NC(=O)CCN3CCN(c4ccccc4)CC3)ccc21 ZINC000787946842 1077005718 /nfs/dbraw/zinc/00/57/18/1077005718.db2.gz VKYDUQYHAJTNJL-UHFFFAOYSA-N 0 3 422.529 2.721 20 0 HFADHN Cc1cc(=O)n2nc(COC(=O)C3(C)CCN(Cc4ccccc4)CC3)sc2n1 ZINC000772711334 1077016106 /nfs/dbraw/zinc/01/61/06/1077016106.db2.gz JJTBDFHSRJNVDC-UHFFFAOYSA-N 0 3 412.515 2.805 20 0 HFADHN NC(=O)c1c(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995913 1077022855 /nfs/dbraw/zinc/02/28/55/1077022855.db2.gz OBWONSKKUHAKFK-FSPWUOQZSA-N 0 3 403.548 2.602 20 0 HFADHN Cc1ccccc1CN1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788009445 1077027605 /nfs/dbraw/zinc/02/76/05/1077027605.db2.gz SQPOVKVTIIEANR-UHFFFAOYSA-N 0 3 402.583 2.665 20 0 HFADHN Cc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746731920 1077073631 /nfs/dbraw/zinc/07/36/31/1077073631.db2.gz ZFYHMTUXKCEXEQ-QHCPKHFHSA-N 0 3 424.501 2.710 20 0 HFADHN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000788252681 1077087270 /nfs/dbraw/zinc/08/72/70/1077087270.db2.gz PWHBMSHWSFLCQZ-SFHVURJKSA-N 0 3 417.497 2.607 20 0 HFADHN CN1CCC(NC(=O)c2ccc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)nn2)CC1 ZINC001170083557 1077087316 /nfs/dbraw/zinc/08/73/16/1077087316.db2.gz YEHARFNIUNGULQ-KRWDZBQOSA-N 0 3 421.545 2.768 20 0 HFADHN C[C@@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000772718436 1077099850 /nfs/dbraw/zinc/09/98/50/1077099850.db2.gz JFGHEIRSBKVJIU-QGZVFWFLSA-N 0 3 423.513 2.958 20 0 HFADHN N=C(NOCc1ncc(Br)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000788506874 1077185932 /nfs/dbraw/zinc/18/59/32/1077185932.db2.gz YTBUKJMXYHJBNM-ZDUSSCGKSA-N 0 3 411.325 2.805 20 0 HFADHN C[C@@]1(CNC(=O)C(=O)NCCSC(F)(F)F)CCCN1Cc1ccccc1 ZINC000788542612 1077195190 /nfs/dbraw/zinc/19/51/90/1077195190.db2.gz OBCMMCSNQBPCHF-KRWDZBQOSA-N 0 3 403.470 2.527 20 0 HFADHN CCOC(=O)[C@H]1[C@@H](NCc2ccc(F)c(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613937 1077228178 /nfs/dbraw/zinc/22/81/78/1077228178.db2.gz YQDIWCJQDWDFJO-RBUKOAKNSA-N 0 3 423.529 2.918 20 0 HFADHN COC1CCN(C2(CNS(=O)(=O)c3ccc(C)nc3Cl)CCCC2)CC1 ZINC000788625184 1077233853 /nfs/dbraw/zinc/23/38/53/1077233853.db2.gz NHCCTKKVJUUZRT-UHFFFAOYSA-N 0 3 401.960 2.745 20 0 HFADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@H]1C ZINC000788635438 1077240900 /nfs/dbraw/zinc/24/09/00/1077240900.db2.gz YJAIYKAHGLQWID-ZYHUDNBSSA-N 0 3 408.973 2.990 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)CCCN[C@H](C)c2cn3ccccc3n2)CC1 ZINC000788638429 1077241565 /nfs/dbraw/zinc/24/15/65/1077241565.db2.gz GQEUKNYWODMJSV-MRXNPFEDSA-N 0 3 401.511 2.502 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000788675600 1077246376 /nfs/dbraw/zinc/24/63/76/1077246376.db2.gz GRNFDYWBDBTTJS-UHFFFAOYSA-N 0 3 411.568 2.816 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]CC2CC[NH+](C3CC3)CC2)c(C)c1Cl ZINC000788678816 1077247979 /nfs/dbraw/zinc/24/79/79/1077247979.db2.gz DJDAOBFWWJPPHH-UHFFFAOYSA-N 0 3 406.957 2.649 20 0 HFADHN COC(=O)COc1c(C)cc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000791007592 1077266153 /nfs/dbraw/zinc/26/61/53/1077266153.db2.gz KQPWDMOKRRXPFK-HXUWFJFHSA-N 0 3 414.477 2.885 20 0 HFADHN CCCC1N=NC(=S)N1CC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000791119492 1077303530 /nfs/dbraw/zinc/30/35/30/1077303530.db2.gz PKIOEWSCQUBXMD-UHFFFAOYSA-N 0 3 416.595 2.997 20 0 HFADHN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1F ZINC000791225577 1077335304 /nfs/dbraw/zinc/33/53/04/1077335304.db2.gz NUXSDKWKOPABAW-UHFFFAOYSA-N 0 3 413.559 2.754 20 0 HFADHN Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000791230602 1077337821 /nfs/dbraw/zinc/33/78/21/1077337821.db2.gz TUWGVOOGOAAUQX-FQEVSTJZSA-N 0 3 406.490 2.727 20 0 HFADHN CCN(CC)CCCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000788918886 1077355314 /nfs/dbraw/zinc/35/53/14/1077355314.db2.gz XIIAAKDRDPBEDO-UHFFFAOYSA-N 0 3 417.018 2.548 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(OC)cc3)cc2)CC1 ZINC000746995357 1077365120 /nfs/dbraw/zinc/36/51/20/1077365120.db2.gz ZQKRANQJRKYKMU-QGZVFWFLSA-N 0 3 410.518 2.653 20 0 HFADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000747007036 1077395318 /nfs/dbraw/zinc/39/53/18/1077395318.db2.gz DIFISQSVVAGRID-UHFFFAOYSA-N 0 3 420.941 2.738 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1CCCCC1 ZINC000746786431 1077398189 /nfs/dbraw/zinc/39/81/89/1077398189.db2.gz HHFBKXBQHHLCNO-ZDUSSCGKSA-N 0 3 415.469 2.682 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000746785783 1077398635 /nfs/dbraw/zinc/39/86/35/1077398635.db2.gz AVNRMYOTUQBSHK-HNNXBMFYSA-N 0 3 411.506 2.852 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2nc(Cl)cs2)CC1 ZINC000789211413 1077464781 /nfs/dbraw/zinc/46/47/81/1077464781.db2.gz SHZDSURWQVFQRH-UHFFFAOYSA-N 0 3 407.923 2.996 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@@H](N(C)C)Cc4ccccc43)C2)c1 ZINC000791584048 1077472026 /nfs/dbraw/zinc/47/20/26/1077472026.db2.gz MOCXVQUQKYBDDW-AOMKIAJQSA-N 0 3 409.486 2.716 20 0 HFADHN O=C(OC[C@H]1CCCS(=O)(=O)C1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791776035 1077549052 /nfs/dbraw/zinc/54/90/52/1077549052.db2.gz DDBAZHSJRLCZFG-YPMHNXCESA-N 0 3 420.314 2.714 20 0 HFADHN O=C(OC[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791776032 1077549080 /nfs/dbraw/zinc/54/90/80/1077549080.db2.gz DDBAZHSJRLCZFG-WCQYABFASA-N 0 3 420.314 2.714 20 0 HFADHN O=C(OC[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000791778718 1077549654 /nfs/dbraw/zinc/54/96/54/1077549654.db2.gz LXZKUOMBPTVQAB-AAEUAGOBSA-N 0 3 420.314 2.714 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)CC2)c1 ZINC000792078079 1077691440 /nfs/dbraw/zinc/69/14/40/1077691440.db2.gz ZRSQLRZNSNJJJB-HSZRJFAPSA-N 0 3 423.513 2.978 20 0 HFADHN Cc1ccc([C@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1 ZINC000792096247 1077713483 /nfs/dbraw/zinc/71/34/83/1077713483.db2.gz FIJQLNMUEVRXTI-FQEVSTJZSA-N 0 3 418.582 2.657 20 0 HFADHN CN1CCC(NC(=O)c2ccc(NCc3ccccc3-c3cccnc3)nn2)CC1 ZINC001170115012 1077732853 /nfs/dbraw/zinc/73/28/53/1077732853.db2.gz SSHRVHMPVLIDBJ-UHFFFAOYSA-N 0 3 402.502 2.975 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)C2)c1 ZINC000792222674 1077748420 /nfs/dbraw/zinc/74/84/20/1077748420.db2.gz IWRSOFXQTRFBTE-UQNRQAKVSA-N 0 3 423.513 2.976 20 0 HFADHN COC1CCN(CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792215903 1077768903 /nfs/dbraw/zinc/76/89/03/1077768903.db2.gz OGJUBYISDKHJST-IBGZPJMESA-N 0 3 423.529 2.661 20 0 HFADHN Cc1cc(NC(=O)C(=O)NCCNc2ccccc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792281928 1077773815 /nfs/dbraw/zinc/77/38/15/1077773815.db2.gz QIQUHDUIGBLQOZ-UHFFFAOYSA-N 0 3 423.561 2.692 20 0 HFADHN CCc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1Cc1ccc(F)cc1 ZINC000792254399 1077781168 /nfs/dbraw/zinc/78/11/68/1077781168.db2.gz JTCKPNVASLJLBN-UHFFFAOYSA-N 0 3 417.529 2.601 20 0 HFADHN CC1(C2CCN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)CC2)OCCO1 ZINC000792273934 1077788922 /nfs/dbraw/zinc/78/89/22/1077788922.db2.gz CCQZSVBPGLJJNU-UHFFFAOYSA-N 0 3 419.488 2.976 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792304497 1077797602 /nfs/dbraw/zinc/79/76/02/1077797602.db2.gz OPDOANNTAPGPNR-LJQANCHMSA-N 0 3 418.582 2.566 20 0 HFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000792315717 1077803845 /nfs/dbraw/zinc/80/38/45/1077803845.db2.gz FUCJGHGUIMFWSM-IAGOWNOFSA-N 0 3 412.575 2.527 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000789830138 1077811619 /nfs/dbraw/zinc/81/16/19/1077811619.db2.gz NAELPEPYTFEHBD-RTWAWAEBSA-N 0 3 413.518 2.570 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000789834814 1077814607 /nfs/dbraw/zinc/81/46/07/1077814607.db2.gz AYEAJJIMYXHYMT-LJQANCHMSA-N 0 3 415.534 2.839 20 0 HFADHN C[C@H]1CN(C(=O)CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000792331597 1077821787 /nfs/dbraw/zinc/82/17/87/1077821787.db2.gz GOGYKEKMRFKKAB-ROUUACIJSA-N 0 3 409.571 2.735 20 0 HFADHN CN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883557 1077834836 /nfs/dbraw/zinc/83/48/36/1077834836.db2.gz AFXJKRIWKZIRHT-FCHUYYIVSA-N 0 3 406.530 2.553 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc4ncccc4c3)cc2)CC1 ZINC000792423872 1077850599 /nfs/dbraw/zinc/85/05/99/1077850599.db2.gz JEPPJYWWLPKXJD-UHFFFAOYSA-N 0 3 417.513 2.632 20 0 HFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nc(Br)cs1 ZINC000792424245 1077850887 /nfs/dbraw/zinc/85/08/87/1077850887.db2.gz MXJCDHWSNXVQQC-KBPBESRZSA-N 0 3 410.337 2.518 20 0 HFADHN C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792515235 1077882320 /nfs/dbraw/zinc/88/23/20/1077882320.db2.gz FWOSVYHCXNORNM-SFHVURJKSA-N 0 3 404.555 2.618 20 0 HFADHN CS(=O)(=O)Nc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792555236 1077901472 /nfs/dbraw/zinc/90/14/72/1077901472.db2.gz LEOWSEPBLXBKKX-UHFFFAOYSA-N 0 3 419.469 2.593 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000790026771 1077918243 /nfs/dbraw/zinc/91/82/43/1077918243.db2.gz KOOCKHZTDOCJPO-UHFFFAOYSA-N 0 3 416.591 2.762 20 0 HFADHN C[C@@](CO)(NCCC(=O)NC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC001170273397 1077925851 /nfs/dbraw/zinc/92/58/51/1077925851.db2.gz OLDMORMOHKLBTM-AWEZNQCLSA-N 0 3 416.227 2.569 20 0 HFADHN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCC4CN(C)C4)c23)C1 ZINC001170253540 1077928175 /nfs/dbraw/zinc/92/81/75/1077928175.db2.gz NWTYFWHCUQLFLU-CQSZACIVSA-N 0 3 401.580 2.622 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790144951 1077956315 /nfs/dbraw/zinc/95/63/15/1077956315.db2.gz MGCOHPKQKFNSQT-FQEVSTJZSA-N 0 3 413.543 2.728 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccc(Cl)cn3)cc2)CC1 ZINC000792706348 1077978973 /nfs/dbraw/zinc/97/89/73/1077978973.db2.gz YPYIVXMVIWUJGT-UHFFFAOYSA-N 0 3 416.909 2.601 20 0 HFADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)c1 ZINC000790293637 1077987897 /nfs/dbraw/zinc/98/78/97/1077987897.db2.gz VDBILDUOYWLMDP-HSZRJFAPSA-N 0 3 421.545 2.602 20 0 HFADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)c1 ZINC000790293638 1077987952 /nfs/dbraw/zinc/98/79/52/1077987952.db2.gz VDBILDUOYWLMDP-QHCPKHFHSA-N 0 3 421.545 2.602 20 0 HFADHN CC(C)[C@H](CCN(C)CN1C[C@]2(CN3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363684 1078005156 /nfs/dbraw/zinc/00/51/56/1078005156.db2.gz BJQAEHVORDIIEX-AVRDEDQJSA-N 0 3 424.586 2.732 20 0 HFADHN CCOC1(C(=O)OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCCC1 ZINC000792825445 1078006045 /nfs/dbraw/zinc/00/60/45/1078006045.db2.gz OXUYZBFSXSSHOA-UHFFFAOYSA-N 0 3 403.523 2.660 20 0 HFADHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792867212 1078011872 /nfs/dbraw/zinc/01/18/72/1078011872.db2.gz MLHXFWNFNBYHCP-OKZBNKHCSA-N 0 3 400.585 2.923 20 0 HFADHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937847 1078029472 /nfs/dbraw/zinc/02/94/72/1078029472.db2.gz ZZRYVYSXWZBMKY-JKIFEVAISA-N 0 3 410.474 2.606 20 0 HFADHN COC(=O)c1c2cnn(CN3CCN(CC4CC4)CC3)c2ccc1Br ZINC000790437506 1078031015 /nfs/dbraw/zinc/03/10/15/1078031015.db2.gz OCQNCJNHIIKVSS-UHFFFAOYSA-N 0 3 407.312 2.571 20 0 HFADHN Cc1ccc2c(c1)CCN(CN1C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C1=O)C2 ZINC000790453477 1078036463 /nfs/dbraw/zinc/03/64/63/1078036463.db2.gz XMZNUQWSHVVGPK-RUZDIDTESA-N 0 3 418.541 2.897 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000806307325 1079560116 /nfs/dbraw/zinc/56/01/16/1079560116.db2.gz BUEZZCWJIRERSC-VQTJNVASSA-N 0 3 404.555 2.860 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324677 1079592989 /nfs/dbraw/zinc/59/29/89/1079592989.db2.gz CXMDKHVGQSFAGC-WOJBJXKFSA-N 0 3 403.486 2.527 20 0 HFADHN CC(C)Oc1ccc([C@@H](CNC(=O)NCC(=O)NCc2ccccc2)N(C)C)cc1 ZINC000806444380 1079713803 /nfs/dbraw/zinc/71/38/03/1079713803.db2.gz UFBVEEIJKCKOEZ-OAQYLSRUSA-N 0 3 412.534 2.692 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000806495412 1079745661 /nfs/dbraw/zinc/74/56/61/1079745661.db2.gz QBNFERJMAQKJNC-HXUWFJFHSA-N 0 3 408.506 2.686 20 0 HFADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC000806522915 1079799835 /nfs/dbraw/zinc/79/98/35/1079799835.db2.gz QIJPCLXLXSELMG-CQSZACIVSA-N 0 3 410.440 2.801 20 0 HFADHN O=C(N1CC[C@H]2NC(=O)CC[C@@H]2C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130690246 1079851800 /nfs/dbraw/zinc/85/18/00/1079851800.db2.gz KPXRPGILOAGOSC-MBOZVWFJSA-N 0 3 409.452 2.568 20 0 HFADHN Cc1cccn2cc(COc3ccc(C(=O)NC[C@H]4CN5CCC[C@@H]5CO4)cc3)nc12 ZINC000747341897 1079876009 /nfs/dbraw/zinc/87/60/09/1079876009.db2.gz IPBLNLHOYOFCHO-IRLDBZIGSA-N 0 3 420.513 2.815 20 0 HFADHN CC(C)[C@@H](NCCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000806625615 1079882481 /nfs/dbraw/zinc/88/24/81/1079882481.db2.gz IHUDCUUOVVDEJG-LJQANCHMSA-N 0 3 413.536 2.501 20 0 HFADHN O=C(COc1ccc2ccccc2c1Br)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747342738 1079924378 /nfs/dbraw/zinc/92/43/78/1079924378.db2.gz NWLQRKRGVRLFMC-HZPDHXFCSA-N 0 3 419.319 2.961 20 0 HFADHN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001130707510 1079927166 /nfs/dbraw/zinc/92/71/66/1079927166.db2.gz WVWDXLQXNRWLPP-UHFFFAOYSA-N 0 3 414.575 2.623 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@H]3CCO[C@H]3c3ccncc3)cc2)CC1 ZINC001130741724 1080004882 /nfs/dbraw/zinc/00/48/82/1080004882.db2.gz CJLXQVSGBLMURT-PKTZIBPZSA-N 0 3 424.545 2.814 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 ZINC000806795534 1080014740 /nfs/dbraw/zinc/01/47/40/1080014740.db2.gz CRWBBRYFDBXISL-IBGZPJMESA-N 0 3 406.527 2.607 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)N1CCCCC1 ZINC000806857303 1080061414 /nfs/dbraw/zinc/06/14/14/1080061414.db2.gz PAAYYLLNNIHQTG-LBPRGKRZSA-N 0 3 403.857 2.913 20 0 HFADHN CCOC(=O)C1=C(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)CCNC1 ZINC001170513994 1080098323 /nfs/dbraw/zinc/09/83/23/1080098323.db2.gz LWAKRRJTLTYHKZ-UHFFFAOYSA-N 0 3 402.401 2.835 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000806902685 1080109210 /nfs/dbraw/zinc/10/92/10/1080109210.db2.gz BLXFJMZSTYNLPN-LJQANCHMSA-N 0 3 412.575 2.528 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000806953106 1080163543 /nfs/dbraw/zinc/16/35/43/1080163543.db2.gz HGWTUJVVJJYSCR-SXLOBPIMSA-N 0 3 402.539 2.960 20 0 HFADHN Cc1cc(Br)cc2cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)oc21 ZINC001130807363 1080176004 /nfs/dbraw/zinc/17/60/04/1080176004.db2.gz UBCURZMZNNDVQM-UHFFFAOYSA-N 0 3 410.312 2.596 20 0 HFADHN CN(C)C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037860 1080227354 /nfs/dbraw/zinc/22/73/54/1080227354.db2.gz DRXKIDGLTZRYGZ-SFTDATJTSA-N 0 3 412.509 2.919 20 0 HFADHN CN(C)C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037857 1080227532 /nfs/dbraw/zinc/22/75/32/1080227532.db2.gz DRXKIDGLTZRYGZ-LEWJYISDSA-N 0 3 412.509 2.919 20 0 HFADHN CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2COC3(CCOCC3)O2)N(C)C)cc1 ZINC000807077496 1080258833 /nfs/dbraw/zinc/25/88/33/1080258833.db2.gz HVHSMLGLSGNEEK-SFTDATJTSA-N 0 3 419.566 2.709 20 0 HFADHN O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000807091955 1080270639 /nfs/dbraw/zinc/27/06/39/1080270639.db2.gz MTGQFERXYJTCCK-JOCHJYFZSA-N 0 3 413.562 2.747 20 0 HFADHN CN(C)C[C@@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1 ZINC000807099311 1080279408 /nfs/dbraw/zinc/27/94/08/1080279408.db2.gz QYDCMTAVPZTBEO-LJQANCHMSA-N 0 3 400.454 2.884 20 0 HFADHN CN(C)C[C@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1 ZINC000807099310 1080279613 /nfs/dbraw/zinc/27/96/13/1080279613.db2.gz QYDCMTAVPZTBEO-IBGZPJMESA-N 0 3 400.454 2.884 20 0 HFADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000807139617 1080299711 /nfs/dbraw/zinc/29/97/11/1080299711.db2.gz UMNGQOAVFSFKMU-ZULIPRJHSA-N 0 3 402.539 2.816 20 0 HFADHN COC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000807147572 1080302884 /nfs/dbraw/zinc/30/28/84/1080302884.db2.gz GEBYFLODHJTACC-QKLQHJQFSA-N 0 3 402.539 2.816 20 0 HFADHN CN(C)C[C@@H](NC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000807150695 1080309194 /nfs/dbraw/zinc/30/91/94/1080309194.db2.gz VOXHSINUBDHGQW-OAHLLOKOSA-N 0 3 418.460 2.888 20 0 HFADHN C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000807177447 1080369710 /nfs/dbraw/zinc/36/97/10/1080369710.db2.gz YTPVFIIDWDOSTQ-IUODEOHRSA-N 0 3 415.763 2.596 20 0 HFADHN CCOC(=O)C1=C(Nc2c(OC)cc(C(=O)OC(C)(C)C)cc2OC)CCNC1 ZINC001170521220 1080443644 /nfs/dbraw/zinc/44/36/44/1080443644.db2.gz PIQKDCIFHIBFSH-UHFFFAOYSA-N 0 3 406.479 2.882 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000807334399 1080534867 /nfs/dbraw/zinc/53/48/67/1080534867.db2.gz NYMDJTDFRZOBDA-UHFFFAOYSA-N 0 3 420.517 2.693 20 0 HFADHN COC(=O)c1cccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001460421574 1126191199 /nfs/dbraw/zinc/19/11/99/1126191199.db2.gz FAYLLJYRSACSRO-LJQANCHMSA-N 0 3 405.292 2.640 20 0 HFADHN COC1(c2nc(C3CCOCC3)no2)CCN(C[C@@H](O)c2ccccc2C)CC1 ZINC000583615875 560776329 /nfs/dbraw/zinc/77/63/29/560776329.db2.gz IGMWXGIUQQOUQW-LJQANCHMSA-N 0 3 401.507 2.943 20 0 HFADHN CCOC(=O)C1CCN(C2CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)CC1 ZINC001164617636 719034622 /nfs/dbraw/zinc/03/46/22/719034622.db2.gz OKKKTGUDLATRAD-GOSISDBHSA-N 0 3 400.882 2.501 20 0 HFADHN CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164724241 720401803 /nfs/dbraw/zinc/40/18/03/720401803.db2.gz IMZYFTOZZZDQJU-WOJBJXKFSA-N 0 3 401.518 2.853 20 0 HFADHN Clc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740195 720635014 /nfs/dbraw/zinc/63/50/14/720635014.db2.gz HQGDOPTVWMOYAA-ZWKOTPCHSA-N 0 3 408.893 2.929 20 0 HFADHN C[C@@H]1CCc2c(sc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)C1 ZINC001164738523 720691316 /nfs/dbraw/zinc/69/13/16/720691316.db2.gz KJAOLLURKSPJHH-OWCLPIDISA-N 0 3 422.558 2.948 20 0 HFADHN Clc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164741496 720698913 /nfs/dbraw/zinc/69/89/13/720698913.db2.gz TZHGERYYYDETRI-SJORKVTESA-N 0 3 408.893 2.929 20 0 HFADHN c1cn(C2CCCC2)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737801 720709816 /nfs/dbraw/zinc/70/98/16/720709816.db2.gz GYFPNEIXKFYXQV-ROUUACIJSA-N 0 3 405.506 2.678 20 0 HFADHN FC(F)(COc1cncc(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843417 720739726 /nfs/dbraw/zinc/73/97/26/720739726.db2.gz JKSDBWSRHUIWBW-UHFFFAOYSA-N 0 3 412.872 2.846 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746961 720751206 /nfs/dbraw/zinc/75/12/06/720751206.db2.gz ZKGSCFLIRWKEEU-DLBZAZTESA-N 0 3 412.494 2.561 20 0 HFADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748305 720793230 /nfs/dbraw/zinc/79/32/30/720793230.db2.gz QNPKPPMBMQQWAK-ZIAGYGMSSA-N 0 3 400.845 2.554 20 0 HFADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752651 720801869 /nfs/dbraw/zinc/80/18/69/720801869.db2.gz ZNURLOZYLNDMLB-DLBZAZTESA-N 0 3 406.465 2.723 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2CO[C@H](CNC(=O)c3ccno3)[C@@H]2C1 ZINC001164859129 720914702 /nfs/dbraw/zinc/91/47/02/720914702.db2.gz OZAVSSRIDUXKDV-FRFSOERESA-N 0 3 404.898 2.725 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870438 721042437 /nfs/dbraw/zinc/04/24/37/721042437.db2.gz VWHWPGPHYOVDGM-QZTJIDSGSA-N 0 3 416.909 2.786 20 0 HFADHN CCOC(=O)/C=C/c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870632 721050882 /nfs/dbraw/zinc/05/08/82/721050882.db2.gz WLGGOHQGVJOOJY-JLXVBKPDSA-N 0 3 408.502 2.533 20 0 HFADHN COc1cc2ncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164867372 721082042 /nfs/dbraw/zinc/08/20/42/721082042.db2.gz YEXIVFMABDLYHR-QZTJIDSGSA-N 0 3 421.501 2.522 20 0 HFADHN CCOc1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865435 721095712 /nfs/dbraw/zinc/09/57/12/721095712.db2.gz LHUXLQRJCJMPRD-ICSRJNTNSA-N 0 3 405.502 2.903 20 0 HFADHN CCOc1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865437 721096479 /nfs/dbraw/zinc/09/64/79/721096479.db2.gz LHUXLQRJCJMPRD-UYAOXDASSA-N 0 3 405.502 2.903 20 0 HFADHN c1ccc(COc2cnnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164864836 721102637 /nfs/dbraw/zinc/10/26/37/721102637.db2.gz GSBWWHNFGNWDEB-GGAORHGYSA-N 0 3 417.513 2.930 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(C)c2c1 ZINC001164864677 721103679 /nfs/dbraw/zinc/10/36/79/721103679.db2.gz GNUDMWMKGFOJHW-UYAOXDASSA-N 0 3 405.502 2.822 20 0 HFADHN CCOC(=O)c1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870218 721125116 /nfs/dbraw/zinc/12/51/16/721125116.db2.gz BWSFDLVCEOQZGF-DLBZAZTESA-N 0 3 416.909 2.786 20 0 HFADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164875347 721136618 /nfs/dbraw/zinc/13/66/18/721136618.db2.gz KXVIUAPSMBCDNY-LEWJYISDSA-N 0 3 402.502 2.722 20 0 HFADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164879819 721137663 /nfs/dbraw/zinc/13/76/63/721137663.db2.gz UHOBTLXOCTTXPL-UXHICEINSA-N 0 3 402.502 2.722 20 0 HFADHN c1ccc(Cc2nccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880337 721160340 /nfs/dbraw/zinc/16/03/40/721160340.db2.gz VYUPBXJVGLFCPN-YADHBBJMSA-N 0 3 401.514 2.942 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164766906 721221988 /nfs/dbraw/zinc/22/19/88/721221988.db2.gz JOMPDWPEWUYJMY-PMACEKPBSA-N 0 3 415.545 2.719 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164766908 721223282 /nfs/dbraw/zinc/22/32/82/721223282.db2.gz JOMPDWPEWUYJMY-UXHICEINSA-N 0 3 415.545 2.719 20 0 HFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885694 721381913 /nfs/dbraw/zinc/38/19/13/721381913.db2.gz CZCXHNIVHHZKEX-XOBRGWDASA-N 0 3 422.936 2.516 20 0 HFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887834 721447144 /nfs/dbraw/zinc/44/71/44/721447144.db2.gz KJPTXFSDIDOXTN-KOSHJBKYSA-N 0 3 409.578 2.817 20 0 HFADHN CCOC(=O)c1cc(Cl)nnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899707 721522077 /nfs/dbraw/zinc/52/20/77/721522077.db2.gz LULYQBWSCBERQA-HOCLYGCPSA-N 0 3 420.872 2.788 20 0 HFADHN O=C(c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCC1 ZINC001164907334 721545558 /nfs/dbraw/zinc/54/55/58/721545558.db2.gz MYPFDAVEZILAHJ-FPOVZHCZSA-N 0 3 410.493 2.799 20 0 HFADHN CNC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907306 721715364 /nfs/dbraw/zinc/71/53/64/721715364.db2.gz QOJBWVKLKAEAAN-HXUWFJFHSA-N 0 3 401.461 2.574 20 0 HFADHN CN1CCN(c2ccc(N3CC(c4ncn5cc(-c6ccoc6)ccc45)C3)nn2)CC1 ZINC001165014771 721766577 /nfs/dbraw/zinc/76/65/77/721766577.db2.gz IRZAUZNLTVTPMQ-UHFFFAOYSA-N 0 3 415.501 2.740 20 0 HFADHN c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)c1 ZINC001165015842 721782601 /nfs/dbraw/zinc/78/26/01/721782601.db2.gz ACNLXVIORAALDR-FSSWDIPSSA-N 0 3 411.550 2.717 20 0 HFADHN c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2CN2CCCC2)c1 ZINC001165015843 721782840 /nfs/dbraw/zinc/78/28/40/721782840.db2.gz ACNLXVIORAALDR-VSKRKVRLSA-N 0 3 411.550 2.717 20 0 HFADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)c3ncc(C)n3CCN4C)[nH]cc1-2 ZINC001164918737 721818291 /nfs/dbraw/zinc/81/82/91/721818291.db2.gz SNAXPDUTXMHBEH-UHFFFAOYSA-N 0 3 408.506 2.686 20 0 HFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN(C4CCCC4)CC3)nc21 ZINC001165032618 721859162 /nfs/dbraw/zinc/85/91/62/721859162.db2.gz UPCOYGOJJUOGSX-UHFFFAOYSA-N 0 3 411.531 2.733 20 0 HFADHN FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978227 722098859 /nfs/dbraw/zinc/09/88/59/722098859.db2.gz GGPDFVPBPVEUQB-HZPDHXFCSA-N 0 3 409.868 2.797 20 0 HFADHN CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980804 722102142 /nfs/dbraw/zinc/10/21/42/722102142.db2.gz KKUOAIRNOXGEPC-SCDNRKHISA-N 0 3 422.529 2.780 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164975069 722117749 /nfs/dbraw/zinc/11/77/49/722117749.db2.gz JFYQNOILPPWTML-MOPGFXCFSA-N 0 3 424.549 2.584 20 0 HFADHN FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973058 722119421 /nfs/dbraw/zinc/11/94/21/722119421.db2.gz GGRDSGXETQJFII-WBVHZDCISA-N 0 3 409.868 2.797 20 0 HFADHN Nc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971958 722120730 /nfs/dbraw/zinc/12/07/30/722120730.db2.gz DZMIANSKPSUCMB-YJBOKZPZSA-N 0 3 423.895 2.984 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972699 722129010 /nfs/dbraw/zinc/12/90/10/722129010.db2.gz AIBJWLJPOQOBHQ-NHCUHLMSSA-N 0 3 408.550 2.589 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983869 722129575 /nfs/dbraw/zinc/12/95/75/722129575.db2.gz VWUFVAXQWCVHQS-HTAPYJJXSA-N 0 3 423.492 2.900 20 0 HFADHN CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164978072 722129629 /nfs/dbraw/zinc/12/96/29/722129629.db2.gz JMXWMOPXQHTLFU-PUZSOODZSA-N 0 3 422.529 2.780 20 0 HFADHN COC(OC)c1cc(C)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980940 722133958 /nfs/dbraw/zinc/13/39/58/722133958.db2.gz NXSMBARUSYGQNQ-FPOVZHCZSA-N 0 3 412.534 2.804 20 0 HFADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164980255 722138686 /nfs/dbraw/zinc/13/86/86/722138686.db2.gz MEKIFAMVGVJNQE-UNMCSNQZSA-N 0 3 416.529 2.969 20 0 HFADHN Cc1noc(-c2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982223 722142461 /nfs/dbraw/zinc/14/24/61/722142461.db2.gz RKYVIPSFJWUWEF-QUCCMNQESA-N 0 3 406.490 2.562 20 0 HFADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@@H]32)cs1 ZINC001164986519 722185881 /nfs/dbraw/zinc/18/58/81/722185881.db2.gz FQEWBRUCPMNBRJ-VQTJNVASSA-N 0 3 401.580 2.778 20 0 HFADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164989705 722187709 /nfs/dbraw/zinc/18/77/09/722187709.db2.gz JFSPVICKQMJPSC-HXUWFJFHSA-N 0 3 400.567 2.779 20 0 HFADHN C[C@@H]1CN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC2(CCOCC2)O1 ZINC000790603079 1078064972 /nfs/dbraw/zinc/06/49/72/1078064972.db2.gz HGDMCXFOVCOKBQ-GOSISDBHSA-N 0 3 403.592 2.795 20 0 HFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1F ZINC000790575480 1078066974 /nfs/dbraw/zinc/06/69/74/1078066974.db2.gz HDSUPOLHHMZFNN-SFHVURJKSA-N 0 3 413.559 2.706 20 0 HFADHN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc4c(c3)OCCO4)cc2)C1=O ZINC000790612296 1078075200 /nfs/dbraw/zinc/07/52/00/1078075200.db2.gz WSALVVSRTUXNSK-QHCPKHFHSA-N 0 3 407.470 2.973 20 0 HFADHN C[C@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)CN1C1CC1 ZINC000790761875 1078113376 /nfs/dbraw/zinc/11/33/76/1078113376.db2.gz YUEQBTXUAIFQDC-IUCAKERBSA-N 0 3 403.118 2.962 20 0 HFADHN Cc1ccc(CN2CC[C@H](N[C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748246 1078124364 /nfs/dbraw/zinc/12/43/64/1078124364.db2.gz MEAFEYXKRJDLKH-QDSKXPNFSA-N 0 3 407.558 2.975 20 0 HFADHN CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@H]1CCCCN1C1CC1)C(=O)OC(C)(C)C ZINC000790847358 1078146794 /nfs/dbraw/zinc/14/67/94/1078146794.db2.gz NCXNDLUAHPMFIM-JQHSSLGASA-N 0 3 412.550 2.992 20 0 HFADHN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000790896541 1078175527 /nfs/dbraw/zinc/17/55/27/1078175527.db2.gz QJTXRCNLIPPJCM-MOPGFXCFSA-N 0 3 402.539 2.928 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000793519600 1078198128 /nfs/dbraw/zinc/19/81/28/1078198128.db2.gz RRRAJIVHKNACEC-AWEZNQCLSA-N 0 3 418.295 2.533 20 0 HFADHN CN(C)CCN(C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000793498964 1078203623 /nfs/dbraw/zinc/20/36/23/1078203623.db2.gz QHUMGNJLERROTO-SFTDATJTSA-N 0 3 424.545 2.911 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000793651418 1078241541 /nfs/dbraw/zinc/24/15/41/1078241541.db2.gz MTNKVNZSYXACOU-HOYKHHGWSA-N 0 3 409.530 2.527 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)N1CCCCC1 ZINC000793723272 1078266266 /nfs/dbraw/zinc/26/62/66/1078266266.db2.gz LYAMLKTZNUTOQJ-KBPBESRZSA-N 0 3 401.429 2.753 20 0 HFADHN Cc1cccc2nc(C3CCN(C(=O)C(=O)NC[C@@H](C)N4CCCCC4)CC3)oc21 ZINC000793700836 1078273772 /nfs/dbraw/zinc/27/37/72/1078273772.db2.gz PGDDNXFWDYIDPV-QGZVFWFLSA-N 0 3 412.534 2.833 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)N1CCCCC1 ZINC000793701993 1078274345 /nfs/dbraw/zinc/27/43/45/1078274345.db2.gz RQKBQVVQJNEKMA-GFCCVEGCSA-N 0 3 403.857 2.548 20 0 HFADHN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccn1 ZINC000793705515 1078276723 /nfs/dbraw/zinc/27/67/23/1078276723.db2.gz DRLVAQQOWOBKFA-MSOLQXFVSA-N 0 3 404.555 2.502 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1)N1CCCCC1 ZINC000793707091 1078276933 /nfs/dbraw/zinc/27/69/33/1078276933.db2.gz ICBPCDPIWUKHIV-OAHLLOKOSA-N 0 3 422.367 2.588 20 0 HFADHN CSC[C@H]1CCCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301227 /nfs/dbraw/zinc/30/12/27/1078301227.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 0 3 416.591 2.606 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001170440918 1078355076 /nfs/dbraw/zinc/35/50/76/1078355076.db2.gz FPPFAMMQIULMGA-KGVIQGDOSA-N 0 3 403.523 2.631 20 0 HFADHN COCCCN(C(=O)CN1C(=S)N=NC1c1cccc(C)c1)C1CCN(C)CC1 ZINC000794051487 1078365980 /nfs/dbraw/zinc/36/59/80/1078365980.db2.gz QIMNPEHZSLAGDF-UHFFFAOYSA-N 0 3 417.579 2.502 20 0 HFADHN COCCCN(C(=O)CN1C(=S)N=NC1c1ccc(C)cc1)C1CCN(C)CC1 ZINC000794050423 1078366057 /nfs/dbraw/zinc/36/60/57/1078366057.db2.gz IDIWKTQXSJHNPN-UHFFFAOYSA-N 0 3 417.579 2.502 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330407 1078415685 /nfs/dbraw/zinc/41/56/85/1078415685.db2.gz VZCNNIQSZYRIEC-CVEARBPZSA-N 0 3 401.548 2.593 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000794339001 1078419154 /nfs/dbraw/zinc/41/91/54/1078419154.db2.gz KHPGVNSYPMLLFA-UHFFFAOYSA-N 0 3 422.327 2.767 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 ZINC000794346544 1078421536 /nfs/dbraw/zinc/42/15/36/1078421536.db2.gz VODQSVLIFMRGJO-UHFFFAOYSA-N 0 3 413.478 2.666 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1 ZINC000804443222 1078507920 /nfs/dbraw/zinc/50/79/20/1078507920.db2.gz VHROSYNDGJHLQV-UHFFFAOYSA-N 0 3 407.563 2.771 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000804442553 1078509300 /nfs/dbraw/zinc/50/93/00/1078509300.db2.gz DOWWFUSYXVJRAH-UHFFFAOYSA-N 0 3 413.559 2.804 20 0 HFADHN Cc1c(C(=O)N[C@H](C)[C@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000804475786 1078518925 /nfs/dbraw/zinc/51/89/25/1078518925.db2.gz HUPCYIOJUIAXOY-MWTRTKDXSA-N 0 3 419.529 2.724 20 0 HFADHN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCCN2C)c1)c1ccccc1 ZINC001129903677 1078576189 /nfs/dbraw/zinc/57/61/89/1078576189.db2.gz AXCYWFZGXUSEOX-XLIONFOSSA-N 0 3 415.559 2.892 20 0 HFADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730153 1078588921 /nfs/dbraw/zinc/58/89/21/1078588921.db2.gz YGGXBBGJEASFPV-FUHWJXTLSA-N 0 3 409.452 2.622 20 0 HFADHN COC(=O)c1cnc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804625836 1078678681 /nfs/dbraw/zinc/67/86/81/1078678681.db2.gz GLCBRBAPZNEVNT-FQEVSTJZSA-N 0 3 423.435 2.960 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000804906271 1078729031 /nfs/dbraw/zinc/72/90/31/1078729031.db2.gz HLGVPXYRIGQUBL-LJQANCHMSA-N 0 3 413.440 2.572 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)cc1Cl ZINC000804912597 1078734765 /nfs/dbraw/zinc/73/47/65/1078734765.db2.gz ZTMWHKIGAKICCQ-UHFFFAOYSA-N 0 3 422.017 2.762 20 0 HFADHN CC(C)N(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130058311 1078881540 /nfs/dbraw/zinc/88/15/40/1078881540.db2.gz YVFKQCXJGIEWOA-NRFANRHFSA-N 0 3 421.607 2.560 20 0 HFADHN O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747229533 1078938176 /nfs/dbraw/zinc/93/81/76/1078938176.db2.gz KCCMKQCHMGOBDO-KBPBESRZSA-N 0 3 417.731 2.851 20 0 HFADHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000805335965 1079024377 /nfs/dbraw/zinc/02/43/77/1079024377.db2.gz YSPAFSHGOUGDRH-RHSMWYFYSA-N 0 3 411.543 2.601 20 0 HFADHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000805335966 1079024405 /nfs/dbraw/zinc/02/44/05/1079024405.db2.gz YSPAFSHGOUGDRH-WMLDXEAASA-N 0 3 411.543 2.601 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000805411763 1079073270 /nfs/dbraw/zinc/07/32/70/1079073270.db2.gz YFLYPXKYYWYUHP-VQTJNVASSA-N 0 3 402.539 2.811 20 0 HFADHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001130300641 1079192146 /nfs/dbraw/zinc/19/21/46/1079192146.db2.gz BXHITWYTXGNIGR-RBUKOAKNSA-N 0 3 407.580 2.819 20 0 HFADHN COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001130301634 1079193793 /nfs/dbraw/zinc/19/37/93/1079193793.db2.gz SKNUCRRZLJQKTR-MSOLQXFVSA-N 0 3 401.536 2.501 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000805728886 1079238193 /nfs/dbraw/zinc/23/81/93/1079238193.db2.gz VTUOWQIQZXTUGN-FQEVSTJZSA-N 0 3 404.551 2.760 20 0 HFADHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000805940743 1079343160 /nfs/dbraw/zinc/34/31/60/1079343160.db2.gz BDHJGQFSNYXMKB-SIKLNZKXSA-N 0 3 411.546 2.514 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)cc2)CC1 ZINC000806155042 1079470451 /nfs/dbraw/zinc/47/04/51/1079470451.db2.gz LUWVCCCJCXBXRZ-YJBOKZPZSA-N 0 3 414.472 2.853 20 0 HFADHN CC(=O)Nc1cccc(NC(=S)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c1 ZINC000746686577 1076838582 /nfs/dbraw/zinc/83/85/82/1076838582.db2.gz DPBFQNGROAPPQK-UHFFFAOYSA-N 0 3 413.503 2.923 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000787681553 1076909817 /nfs/dbraw/zinc/90/98/17/1076909817.db2.gz DWUIPPXDOHZJHO-YLJYHZDGSA-N 0 3 417.550 2.964 20 0 HFADHN Cc1nc2ccccn2c(=O)c1CCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000787713524 1076923315 /nfs/dbraw/zinc/92/33/15/1076923315.db2.gz ZQOHDTWYCMJQIV-KRWDZBQOSA-N 0 3 400.523 2.877 20 0 HFADHN Cc1occc1C(=O)NC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787716326 1076924105 /nfs/dbraw/zinc/92/41/05/1076924105.db2.gz HDKHWNYTNAYEIJ-PGRDOPGGSA-N 0 3 421.538 2.543 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752650 1076927728 /nfs/dbraw/zinc/92/77/28/1076927728.db2.gz ZJWIVUNAMJOVPN-MJGOQNOKSA-N 0 3 414.506 2.903 20 0 HFADHN CC(C)(C)OC(=O)NCCOCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000787731398 1076933766 /nfs/dbraw/zinc/93/37/66/1076933766.db2.gz RGVVEEMIKPPMOB-UHFFFAOYSA-N 0 3 406.527 2.814 20 0 HFADHN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000787877339 1076972173 /nfs/dbraw/zinc/97/21/73/1076972173.db2.gz XANKQBAGVRCHAD-MOPGFXCFSA-N 0 3 403.567 2.902 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000787883529 1076976181 /nfs/dbraw/zinc/97/61/81/1076976181.db2.gz JRHRHNRNJKQUTJ-UHFFFAOYSA-N 0 3 410.971 2.850 20 0 HFADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995975 1077023098 /nfs/dbraw/zinc/02/30/98/1077023098.db2.gz PFIGDOWCBGOJKB-MJGOQNOKSA-N 0 3 408.502 2.690 20 0 HFADHN CCOCN(C(=O)CN1CCN(C[C@@H]2CCOC2)CC1)c1c(C)cccc1CC ZINC000788023040 1077033739 /nfs/dbraw/zinc/03/37/39/1077033739.db2.gz RZXGQODQSYTORJ-FQEVSTJZSA-N 0 3 403.567 2.539 20 0 HFADHN O=C(CC1CCC2(CC1)OCCO2)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000788147433 1077064787 /nfs/dbraw/zinc/06/47/87/1077064787.db2.gz MISIYYDDSOSBSM-UHFFFAOYSA-N 0 3 415.578 2.634 20 0 HFADHN COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c(OC)c1 ZINC000788421978 1077140328 /nfs/dbraw/zinc/14/03/28/1077140328.db2.gz MGEYPNCWNKHQMX-XYOKQWHBSA-N 0 3 405.472 2.711 20 0 HFADHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000788637699 1077242209 /nfs/dbraw/zinc/24/22/09/1077242209.db2.gz HQJNQNSEIUHIFM-XIKOKIGWSA-N 0 3 400.903 2.941 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000790967872 1077258331 /nfs/dbraw/zinc/25/83/31/1077258331.db2.gz KOQZUSJPVGHEMD-LBPRGKRZSA-N 0 3 417.735 2.673 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000791064050 1077287292 /nfs/dbraw/zinc/28/72/92/1077287292.db2.gz ZQTLZIBNBOGCTF-KRWDZBQOSA-N 0 3 422.570 2.769 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777737 1077298552 /nfs/dbraw/zinc/29/85/52/1077298552.db2.gz LORQLLKQQVDNQV-ARFHVFGLSA-N 0 3 413.349 2.735 20 0 HFADHN CC(C)(NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777634 1077298777 /nfs/dbraw/zinc/29/87/77/1077298777.db2.gz KWJZDYZESQBGSI-GOEBONIOSA-N 0 3 401.429 2.983 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821633 1077309570 /nfs/dbraw/zinc/30/95/70/1077309570.db2.gz YCEUBAUWQFIYTH-OTWHNJEPSA-N 0 3 406.523 2.868 20 0 HFADHN CCO[C@H]1C[C@](O)(CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1(C)C ZINC000789002859 1077378606 /nfs/dbraw/zinc/37/86/06/1077378606.db2.gz HKLYAKRBGOTVID-UGKGYDQZSA-N 0 3 404.555 2.516 20 0 HFADHN O=C(N[C@@H]1CN(CCc2ccns2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600192 1077505582 /nfs/dbraw/zinc/50/55/82/1077505582.db2.gz FXFZIJGJPOFMMO-CSGHFTSRSA-N 0 3 409.555 2.693 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000789307549 1077508121 /nfs/dbraw/zinc/50/81/21/1077508121.db2.gz WUKPBVSISPIOME-JOCHJYFZSA-N 0 3 420.509 2.943 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000791711051 1077522744 /nfs/dbraw/zinc/52/27/44/1077522744.db2.gz OZAWCHXILJJIST-INIZCTEOSA-N 0 3 405.543 2.863 20 0 HFADHN COc1cc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc2c1O[C@@H](C)C2 ZINC000746805736 1077539154 /nfs/dbraw/zinc/53/91/54/1077539154.db2.gz DOCMPMQUMRUVFI-ZDUSSCGKSA-N 0 3 411.458 2.740 20 0 HFADHN CC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828717 1077576828 /nfs/dbraw/zinc/57/68/28/1077576828.db2.gz OVAKAEZJDAJISY-NZQKXSOJSA-N 0 3 404.514 2.849 20 0 HFADHN COC(=O)C1=C(CN2CCC[C@]2(CO)CC(C)C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000789504091 1077598508 /nfs/dbraw/zinc/59/85/08/1077598508.db2.gz LTZBCUAOBIAHNG-NZQKXSOJSA-N 0 3 415.534 2.683 20 0 HFADHN CCOC(=O)C1C(CN2CCC[C@@]2(CO)CC(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000789507609 1077601294 /nfs/dbraw/zinc/60/12/94/1077601294.db2.gz SRBUINVXDTWIQA-REWPJTCUSA-N 0 3 415.534 2.731 20 0 HFADHN CCOC(=O)C1=C(CN2CCC[C@@]2(CO)CC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000789507609 1077601298 /nfs/dbraw/zinc/60/12/98/1077601298.db2.gz SRBUINVXDTWIQA-REWPJTCUSA-N 0 3 415.534 2.731 20 0 HFADHN CCOC(=O)C1C(CN2CCC[C@@]2(CO)CC(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000789507607 1077601356 /nfs/dbraw/zinc/60/13/56/1077601356.db2.gz SRBUINVXDTWIQA-OFNKIYASSA-N 0 3 415.534 2.731 20 0 HFADHN CCOC(=O)C1=C(CN2CCC[C@@]2(CO)CC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000789507607 1077601359 /nfs/dbraw/zinc/60/13/59/1077601359.db2.gz SRBUINVXDTWIQA-OFNKIYASSA-N 0 3 415.534 2.731 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000791982130 1077621949 /nfs/dbraw/zinc/62/19/49/1077621949.db2.gz PSOJIINKLOYYJJ-QRFRQXIXSA-N 0 3 405.498 2.943 20 0 HFADHN C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000792030711 1077657864 /nfs/dbraw/zinc/65/78/64/1077657864.db2.gz NLDWKCVLEMMETH-OAHLLOKOSA-N 0 3 400.589 2.560 20 0 HFADHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792149732 1077723265 /nfs/dbraw/zinc/72/32/65/1077723265.db2.gz ZSOWZKLNBHVPDO-UHFFFAOYSA-N 0 3 413.522 2.957 20 0 HFADHN COc1ccccc1-c1nc(C2CCN(Cc3ccc(OCC(N)=O)cc3)CC2)no1 ZINC000792187889 1077738259 /nfs/dbraw/zinc/73/82/59/1077738259.db2.gz UDKSJSOZELMJOM-UHFFFAOYSA-N 0 3 422.485 2.989 20 0 HFADHN Cc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccco2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792201285 1077743981 /nfs/dbraw/zinc/74/39/81/1077743981.db2.gz ATZVGVBFCFTTLM-GOSISDBHSA-N 0 3 412.534 2.804 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C2)c1 ZINC000792284592 1077775056 /nfs/dbraw/zinc/77/50/56/1077775056.db2.gz NLFHDIYRMJKGLQ-JOCHJYFZSA-N 0 3 409.486 2.784 20 0 HFADHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120233 1077800081 /nfs/dbraw/zinc/80/00/81/1077800081.db2.gz ZMHKZKKDGKNKLQ-ZWKOTPCHSA-N 0 3 413.609 2.919 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)Nc3cccc4c3CCN(CC(C)(C)O)C4)C2)c1 ZINC000792315482 1077804080 /nfs/dbraw/zinc/80/40/80/1077804080.db2.gz AOUTVUASFHRZBW-QFIPXVFZSA-N 0 3 423.513 2.956 20 0 HFADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789840228 1077816627 /nfs/dbraw/zinc/81/66/27/1077816627.db2.gz LXKPGCLUYBXBDR-QGZVFWFLSA-N 0 3 423.989 2.561 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339464 1077825897 /nfs/dbraw/zinc/82/58/97/1077825897.db2.gz ABQATRJWFUXQRW-ROUUACIJSA-N 0 3 413.905 2.925 20 0 HFADHN C[NH+]1CCN(Cc2cccc(C(=O)Nc3nc(Br)ccc3[O-])c2)CC1 ZINC000789923394 1077848871 /nfs/dbraw/zinc/84/88/71/1077848871.db2.gz UUMBMKJBGHQYQK-UHFFFAOYSA-N 0 3 405.296 2.549 20 0 HFADHN CN1CCN(Cc2cccc(C(=O)Nc3nc(Br)ccc3O)c2)CC1 ZINC000789923394 1077848879 /nfs/dbraw/zinc/84/88/79/1077848879.db2.gz UUMBMKJBGHQYQK-UHFFFAOYSA-N 0 3 405.296 2.549 20 0 HFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nc(Br)cs1 ZINC000792424254 1077850948 /nfs/dbraw/zinc/85/09/48/1077850948.db2.gz MXJCDHWSNXVQQC-ZIAGYGMSSA-N 0 3 410.337 2.518 20 0 HFADHN O=C(CCNC(=O)OCC(F)(F)F)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792556101 1077901962 /nfs/dbraw/zinc/90/19/62/1077901962.db2.gz TXWTUGQXOCHDNR-UHFFFAOYSA-N 0 3 419.366 2.587 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031975 1077904775 /nfs/dbraw/zinc/90/47/75/1077904775.db2.gz FSHIGRVMFSYYAQ-OAQYLSRUSA-N 0 3 414.594 2.716 20 0 HFADHN C[C@](CO)(NCCC(=O)NC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC001170273398 1077925908 /nfs/dbraw/zinc/92/59/08/1077925908.db2.gz OLDMORMOHKLBTM-CQSZACIVSA-N 0 3 416.227 2.569 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052766 1077931720 /nfs/dbraw/zinc/93/17/20/1077931720.db2.gz KYIQFEPUSAUEHE-NRFANRHFSA-N 0 3 414.594 2.572 20 0 HFADHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400321 1077965016 /nfs/dbraw/zinc/96/50/16/1077965016.db2.gz SJDAPCWGMJPZOM-NZVBXONLSA-N 0 3 402.276 2.879 20 0 HFADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000746887570 1077972924 /nfs/dbraw/zinc/97/29/24/1077972924.db2.gz RDXCKHBYPINBKA-CQSZACIVSA-N 0 3 424.501 2.780 20 0 HFADHN CN(CCc1ccc(Br)cc1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790363719 1078005065 /nfs/dbraw/zinc/00/50/65/1078005065.db2.gz UYXVTDHKWWBEBJ-LJQANCHMSA-N 0 3 408.340 2.798 20 0 HFADHN CC1(C)CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000790448193 1078034547 /nfs/dbraw/zinc/03/45/47/1078034547.db2.gz TWHWAMOBGNEHPE-HSZRJFAPSA-N 0 3 422.573 2.650 20 0 HFADHN O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000747094543 1078036358 /nfs/dbraw/zinc/03/63/58/1078036358.db2.gz DCPJXADYMWSTAB-NQIIRXRSSA-N 0 3 424.501 2.648 20 0 HFADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792971735 1078039490 /nfs/dbraw/zinc/03/94/90/1078039490.db2.gz NREYXKOAEYRSSN-UHFFFAOYSA-N 0 3 412.387 2.768 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000790484621 1078042068 /nfs/dbraw/zinc/04/20/68/1078042068.db2.gz SGZTUAWHXUCCAJ-GOSISDBHSA-N 0 3 402.539 2.630 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282443 1079546530 /nfs/dbraw/zinc/54/65/30/1079546530.db2.gz LAXMTERUAIDFFV-YOEHRIQHSA-N 0 3 408.524 2.580 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000806310692 1079564689 /nfs/dbraw/zinc/56/46/89/1079564689.db2.gz HPFOZDKTYNXRBK-FQEVSTJZSA-N 0 3 418.538 2.610 20 0 HFADHN C[C@H]1[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000806293266 1079579497 /nfs/dbraw/zinc/57/94/97/1079579497.db2.gz ZKUKEUACFBWZJP-IFXJQAMLSA-N 0 3 402.445 2.866 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c(C)c2)CC1 ZINC000806354875 1079588609 /nfs/dbraw/zinc/58/86/09/1079588609.db2.gz ZNSIODOESRFZOT-UHFFFAOYSA-N 0 3 401.898 2.537 20 0 HFADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327743 1079599904 /nfs/dbraw/zinc/59/99/04/1079599904.db2.gz GHVUVEPWOPXJJH-UKRRQHHQSA-N 0 3 401.429 2.753 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)c1cccs1 ZINC000806424459 1079670609 /nfs/dbraw/zinc/67/06/09/1079670609.db2.gz QELALFJZZKUBEQ-UHFFFAOYSA-N 0 3 401.576 2.775 20 0 HFADHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473482 1079704406 /nfs/dbraw/zinc/70/44/06/1079704406.db2.gz RBDLNGAOFFPUKB-LIRRHRJNSA-N 0 3 422.526 2.860 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1=O ZINC001130706980 1079877550 /nfs/dbraw/zinc/87/75/50/1079877550.db2.gz GJPKSAOSHDDJJG-UHFFFAOYSA-N 0 3 402.498 2.748 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1=O ZINC001130707303 1079877633 /nfs/dbraw/zinc/87/76/33/1079877633.db2.gz QPNZMWHGARLUOW-UHFFFAOYSA-N 0 3 421.497 2.858 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738410 1079930263 /nfs/dbraw/zinc/93/02/63/1079930263.db2.gz CZDCRETXIUQSBA-JJRVBVJISA-N 0 3 402.322 2.579 20 0 HFADHN CC(C)(C)OC(=O)N(CCCNC(=O)N1CCN2CCC1CC2)Cc1cccnc1 ZINC000806740302 1079932032 /nfs/dbraw/zinc/93/20/32/1079932032.db2.gz QHUFXTAVVFTTMT-UHFFFAOYSA-N 0 3 417.554 2.698 20 0 HFADHN CC(=O)Nc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733064 1079971417 /nfs/dbraw/zinc/97/14/17/1079971417.db2.gz IIRFNBQUPOGJMM-XZOQPEGZSA-N 0 3 407.514 2.689 20 0 HFADHN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1 ZINC001130742356 1080006011 /nfs/dbraw/zinc/00/60/11/1080006011.db2.gz TULNEVXBVBSCSL-RBUKOAKNSA-N 0 3 417.550 2.621 20 0 HFADHN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742250 1080006190 /nfs/dbraw/zinc/00/61/90/1080006190.db2.gz PCUNWGUPKDQNHH-DENIHFKCSA-N 0 3 419.566 2.616 20 0 HFADHN C[C@@H]1[C@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000807038478 1080228969 /nfs/dbraw/zinc/22/89/69/1080228969.db2.gz HRKKUAQUVHTDHP-VQIMIIECSA-N 0 3 402.539 2.816 20 0 HFADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1nc(Br)sc1C1CC1 ZINC000807066274 1080249057 /nfs/dbraw/zinc/24/90/57/1080249057.db2.gz IKZOZQOTRZMHKF-LBPRGKRZSA-N 0 3 400.342 2.766 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000807148371 1080304936 /nfs/dbraw/zinc/30/49/36/1080304936.db2.gz CFACBMAFSBVIHO-VDZJLULYSA-N 0 3 408.518 2.985 20 0 HFADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000807149723 1080306905 /nfs/dbraw/zinc/30/69/05/1080306905.db2.gz GTSBEZNKVIUEDW-UZLBHIALSA-N 0 3 420.554 2.854 20 0 HFADHN CN(C)CCn1cc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)ccc1=O ZINC000807156594 1080314396 /nfs/dbraw/zinc/31/43/96/1080314396.db2.gz HHRVFPORKNWVAW-FQEVSTJZSA-N 0 3 402.882 2.585 20 0 HFADHN COc1ccc(C2=NO[C@@H](CNC(=O)N[C@@H](CN(C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213633 1080364487 /nfs/dbraw/zinc/36/44/87/1080364487.db2.gz IPVCVEYJFGGPHC-CTNGQTDRSA-N 0 3 414.481 2.929 20 0 HFADHN CN(C)CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)C1CC1 ZINC000807266318 1080419992 /nfs/dbraw/zinc/41/99/92/1080419992.db2.gz TZFVHDYAQXYPPS-UHFFFAOYSA-N 0 3 401.960 2.583 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000807331374 1080532211 /nfs/dbraw/zinc/53/22/11/1080532211.db2.gz CKOGKXKAKWYTET-UHFFFAOYSA-N 0 3 420.941 2.740 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000807334459 1080535242 /nfs/dbraw/zinc/53/52/42/1080535242.db2.gz OQAIJQQDYNQJJT-UHFFFAOYSA-N 0 3 404.511 2.552 20 0 HFADHN COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000807401266 1080596351 /nfs/dbraw/zinc/59/63/51/1080596351.db2.gz LNEZVRHXTIGCIJ-VMRPVKRXSA-N 0 3 401.507 2.728 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442376 1080662623 /nfs/dbraw/zinc/66/26/23/1080662623.db2.gz ZDBSNUWJEOGNHU-KANFNMMFSA-N 0 3 403.527 2.740 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000807526663 1080779622 /nfs/dbraw/zinc/77/96/22/1080779622.db2.gz RWVUHWYTZHDUPE-UHFFFAOYSA-N 0 3 410.946 2.892 20 0 HFADHN Cn1ncc(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000807571122 1080783956 /nfs/dbraw/zinc/78/39/56/1080783956.db2.gz ROQRYVLAYGWYQH-UHFFFAOYSA-N 0 3 411.337 2.930 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000747406054 1080792234 /nfs/dbraw/zinc/79/22/34/1080792234.db2.gz VQGSKXWTIFJMOY-MRXNPFEDSA-N 0 3 403.552 2.575 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000807557971 1080809054 /nfs/dbraw/zinc/80/90/54/1080809054.db2.gz OWCZAFGLVJRHDY-NDEPHWFRSA-N 0 3 401.576 2.881 20 0 HFADHN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164389830 718822738 /nfs/dbraw/zinc/82/27/38/718822738.db2.gz JTYATNNMCMCZMU-YPMHNXCESA-N 0 3 405.232 2.928 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(Cl)nn3)CC2)CC1 ZINC001164613906 719023521 /nfs/dbraw/zinc/02/35/21/719023521.db2.gz JGQLXKUFKFDSSP-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164626640 719082631 /nfs/dbraw/zinc/08/26/31/719082631.db2.gz OXLCHXJACAOBJS-KBPBESRZSA-N 0 3 406.317 2.983 20 0 HFADHN Cc1cc2c(ncnc2N2CCN(CC(C)C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001164653271 719330568 /nfs/dbraw/zinc/33/05/68/719330568.db2.gz TUMYBPKRDZXDML-UHFFFAOYSA-N 0 3 413.547 2.755 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164690216 719744898 /nfs/dbraw/zinc/74/48/98/719744898.db2.gz VLXRKBDGNBSCAX-UHFFFAOYSA-N 0 3 422.529 2.619 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164689339 719752668 /nfs/dbraw/zinc/75/26/68/719752668.db2.gz BOCAVGURTNITLR-UHFFFAOYSA-N 0 3 411.575 2.950 20 0 HFADHN Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ncccc1CN1CCCC1)C2 ZINC001164696269 719835651 /nfs/dbraw/zinc/83/56/51/719835651.db2.gz RJXYZFIRANSOLQ-FQEVSTJZSA-N 0 3 419.533 2.522 20 0 HFADHN Clc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)CCNC2 ZINC001164694736 719888476 /nfs/dbraw/zinc/88/84/76/719888476.db2.gz DPUHAWCFTCTEBV-UHFFFAOYSA-N 0 3 419.982 2.709 20 0 HFADHN Clc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164741488 720698741 /nfs/dbraw/zinc/69/87/41/720698741.db2.gz TZHGERYYYDETRI-IAGOWNOFSA-N 0 3 408.893 2.929 20 0 HFADHN COc1nc(Cl)ncc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837432 720738772 /nfs/dbraw/zinc/73/87/72/720738772.db2.gz JJPQUAZHSRMJJG-UHFFFAOYSA-N 0 3 412.872 2.932 20 0 HFADHN Clc1cccc(-c2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164738947 720770182 /nfs/dbraw/zinc/77/01/82/720770182.db2.gz HAKRQQGVNUXFFK-ROUUACIJSA-N 0 3 408.893 2.929 20 0 HFADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738226 720780337 /nfs/dbraw/zinc/78/03/37/720780337.db2.gz FGZVOCSWLKDDHZ-CABCVRRESA-N 0 3 410.428 2.554 20 0 HFADHN CCOC(=O)/C=C\c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870634 721050196 /nfs/dbraw/zinc/05/01/96/721050196.db2.gz WLGGOHQGVJOOJY-LSORQBDOSA-N 0 3 408.502 2.533 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773497 721074131 /nfs/dbraw/zinc/07/41/31/721074131.db2.gz XJMRZGPHBCQVPV-JKSUJKDBSA-N 0 3 403.914 2.604 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164771347 721128184 /nfs/dbraw/zinc/12/81/84/721128184.db2.gz SGQVHTKMCLSLEA-IAGOWNOFSA-N 0 3 417.941 2.912 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164762672 721146206 /nfs/dbraw/zinc/14/62/06/721146206.db2.gz DDXRAIGMXNHKLW-UONOGXRCSA-N 0 3 403.943 2.740 20 0 HFADHN Fc1cccc(-c2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876455 721156753 /nfs/dbraw/zinc/15/67/53/721156753.db2.gz MNKKMEVTEWSMAJ-UXHICEINSA-N 0 3 406.465 2.552 20 0 HFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164875418 721168168 /nfs/dbraw/zinc/16/81/68/721168168.db2.gz LMWKWDNDHGKGAC-RTWAWAEBSA-N 0 3 408.550 2.732 20 0 HFADHN CSc1nc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164765011 721170653 /nfs/dbraw/zinc/17/06/53/721170653.db2.gz HLGFGRDFHACLJZ-KBPBESRZSA-N 0 3 401.565 2.500 20 0 HFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164877024 721176573 /nfs/dbraw/zinc/17/65/73/721176573.db2.gz NYRYRBCZNHKSTJ-WOJBJXKFSA-N 0 3 418.501 2.884 20 0 HFADHN c1ccc(N(c2ccc(CN3CCCC3)cn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164878165 721329752 /nfs/dbraw/zinc/32/97/52/721329752.db2.gz ZBOLDUAVDAUGMW-IBGZPJMESA-N 0 3 417.517 2.993 20 0 HFADHN COCc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164909234 721531657 /nfs/dbraw/zinc/53/16/57/721531657.db2.gz QZJSVSQBJQJFHV-SJLPKXTDSA-N 0 3 404.511 2.826 20 0 HFADHN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(CN(C)C)ccn1 ZINC001164902840 721578307 /nfs/dbraw/zinc/57/83/07/721578307.db2.gz JGNHTSMDNVAKCO-NRFANRHFSA-N 0 3 413.566 2.907 20 0 HFADHN CN(Cc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164812241 721582786 /nfs/dbraw/zinc/58/27/86/721582786.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 0 3 407.562 2.939 20 0 HFADHN Cc1cc(C(N)=O)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912784 721735633 /nfs/dbraw/zinc/73/56/33/721735633.db2.gz QBQOLHFIRLEPQT-HXUWFJFHSA-N 0 3 401.461 2.622 20 0 HFADHN FC(F)(c1cc(Cl)ncn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978225 722099109 /nfs/dbraw/zinc/09/91/09/722099109.db2.gz GGPDFVPBPVEUQB-HOTGVXAUSA-N 0 3 409.868 2.797 20 0 HFADHN CCOC(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164981822 722108764 /nfs/dbraw/zinc/10/87/64/722108764.db2.gz VGFWTRAIIUSVPE-CTNGQTDRSA-N 0 3 410.518 2.689 20 0 HFADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CSC2 ZINC001164982734 722108795 /nfs/dbraw/zinc/10/87/95/722108795.db2.gz XUTALWWDVLBPBJ-QAPCUYQASA-N 0 3 417.966 2.999 20 0 HFADHN CSc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973311 722117091 /nfs/dbraw/zinc/11/70/91/722117091.db2.gz GZOIQFXOOPRKLX-RDJZCZTQSA-N 0 3 405.955 2.974 20 0 HFADHN F[C@H](Oc1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972485 722118664 /nfs/dbraw/zinc/11/86/64/722118664.db2.gz FRHWDUZJBQCDHZ-QRFRQXIXSA-N 0 3 406.889 2.985 20 0 HFADHN FC(F)(c1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978863 722133747 /nfs/dbraw/zinc/13/37/47/722133747.db2.gz KBQKMFIQDIMGNI-HOTGVXAUSA-N 0 3 409.868 2.797 20 0 HFADHN CC1CCN(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164972811 722142697 /nfs/dbraw/zinc/14/26/97/722142697.db2.gz APSQIFURBVNKHI-YADHBBJMSA-N 0 3 422.577 2.835 20 0 HFADHN CC1CCN(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164972805 722142755 /nfs/dbraw/zinc/14/27/55/722142755.db2.gz APSQIFURBVNKHI-FGZHOGPDSA-N 0 3 422.577 2.835 20 0 HFADHN Cc1noc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164979577 722145261 /nfs/dbraw/zinc/14/52/61/722145261.db2.gz LGECFDPDBKHJKS-WOJBJXKFSA-N 0 3 406.490 2.562 20 0 HFADHN [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001164976216 722157508 /nfs/dbraw/zinc/15/75/08/722157508.db2.gz UZTNZMUTTUAHGS-SJLPKXTDSA-N 0 3 424.879 2.641 20 0 HFADHN COC(=O)N1CCC([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC1 ZINC000790506150 1078047237 /nfs/dbraw/zinc/04/72/37/1078047237.db2.gz MLWHVZJFARRGRY-QGZVFWFLSA-N 0 3 420.554 2.635 20 0 HFADHN Clc1c(CNC[C@]2(N3CCOCC3)CCSC2)cnn1Cc1ccccc1 ZINC000790530619 1078051979 /nfs/dbraw/zinc/05/19/79/1078051979.db2.gz KBXMETPPFIWKPB-HXUWFJFHSA-N 0 3 406.983 2.882 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790577161 1078067027 /nfs/dbraw/zinc/06/70/27/1078067027.db2.gz RTGVTJGLXGKEQF-QGZVFWFLSA-N 0 3 413.971 2.730 20 0 HFADHN O=C(OCC1CCN(Cc2ccco2)CC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793176020 1078094691 /nfs/dbraw/zinc/09/46/91/1078094691.db2.gz BUKMHZCYVLZNJG-LJQANCHMSA-N 0 3 403.500 2.996 20 0 HFADHN Cc1ccc(CN2CC[C@H](NC(=O)N(CCc3ccccc3)CCN(C)C)C2=O)cc1 ZINC000790696440 1078098713 /nfs/dbraw/zinc/09/87/13/1078098713.db2.gz JFQBGHWIRIDLSH-QHCPKHFHSA-N 0 3 422.573 2.912 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521505 1078198581 /nfs/dbraw/zinc/19/85/81/1078198581.db2.gz YHPZIOLNSYLJJT-DHIUTWEWSA-N 0 3 409.530 2.950 20 0 HFADHN CN(C)CCN(C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000793498962 1078203670 /nfs/dbraw/zinc/20/36/70/1078203670.db2.gz QHUMGNJLERROTO-OYRHEFFESA-N 0 3 424.545 2.911 20 0 HFADHN C[C@]12CCN(CN3C(=O)N[C@@]4(CCCN(Cc5ccccc5)C4)C3=O)C[C@H]1C2(F)F ZINC000793536312 1078206313 /nfs/dbraw/zinc/20/63/13/1078206313.db2.gz YMTNLILKKVAFRG-JRGCBEDISA-N 0 3 418.488 2.508 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000793636939 1078236973 /nfs/dbraw/zinc/23/69/73/1078236973.db2.gz KSMDNHPFEUFRKP-MRXNPFEDSA-N 0 3 417.937 2.600 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCCCC1 ZINC000793714855 1078262374 /nfs/dbraw/zinc/26/23/74/1078262374.db2.gz UNPFEMNSQLOSNY-MRXNPFEDSA-N 0 3 414.481 2.620 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1)N1CCCCC1 ZINC000793717542 1078264148 /nfs/dbraw/zinc/26/41/48/1078264148.db2.gz MMOJMLWEGXONDG-SFHVURJKSA-N 0 3 412.534 2.723 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)N1CCCCC1 ZINC000793697055 1078271961 /nfs/dbraw/zinc/27/19/61/1078271961.db2.gz GLJMMZKJOXMGGC-CVEARBPZSA-N 0 3 405.514 2.782 20 0 HFADHN CC1CCN([C@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782335 1078292704 /nfs/dbraw/zinc/29/27/04/1078292704.db2.gz GOEMRBZJNNPOCB-JTHBVZDNSA-N 0 3 420.557 2.987 20 0 HFADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793905010 1078334079 /nfs/dbraw/zinc/33/40/79/1078334079.db2.gz ZCQXTOYEDCTNGF-LQWHRVPQSA-N 0 3 401.551 2.507 20 0 HFADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000793900106 1078343887 /nfs/dbraw/zinc/34/38/87/1078343887.db2.gz FJDCBQOXHPIVRO-QLFBSQMISA-N 0 3 415.456 2.999 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000794337798 1078418850 /nfs/dbraw/zinc/41/88/50/1078418850.db2.gz AGKHOKVOTCPVFG-UHFFFAOYSA-N 0 3 403.482 2.675 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000794337886 1078418867 /nfs/dbraw/zinc/41/88/67/1078418867.db2.gz CGSOPYPWKCVDQU-INIZCTEOSA-N 0 3 404.511 2.528 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000794338975 1078419149 /nfs/dbraw/zinc/41/91/49/1078419149.db2.gz KBTFEDUJPZETSZ-HXUWFJFHSA-N 0 3 422.529 2.915 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000794383733 1078432759 /nfs/dbraw/zinc/43/27/59/1078432759.db2.gz PMHANTNPYSUJRX-OALUTQOASA-N 0 3 405.539 2.547 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC001129508366 1078500574 /nfs/dbraw/zinc/50/05/74/1078500574.db2.gz UDHDCHMVNYDEIM-CYBMUJFWSA-N 0 3 402.296 2.742 20 0 HFADHN CCC(=O)c1ccc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804527986 1078566437 /nfs/dbraw/zinc/56/64/37/1078566437.db2.gz WIMOTESAUOFOIY-GOSISDBHSA-N 0 3 415.559 2.885 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000804567440 1078601812 /nfs/dbraw/zinc/60/18/12/1078601812.db2.gz NEOWLYPEZYVGLE-UHFFFAOYSA-N 0 3 402.507 2.950 20 0 HFADHN O=C(Nc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1)Nc1ccccc1 ZINC000747214715 1078634342 /nfs/dbraw/zinc/63/43/42/1078634342.db2.gz AQXRGNIPXRPLFN-HOTGVXAUSA-N 0 3 400.504 2.985 20 0 HFADHN CSC[C@@H](C)C(=O)N1CCC(C(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC001129700126 1078659568 /nfs/dbraw/zinc/65/95/68/1078659568.db2.gz HHUOPOUXDBEFKD-MRXNPFEDSA-N 0 3 411.637 2.876 20 0 HFADHN CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000804833135 1078674261 /nfs/dbraw/zinc/67/42/61/1078674261.db2.gz HVEYXVRQXJYKTR-VWLOTQADSA-N 0 3 422.573 2.930 20 0 HFADHN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000804663474 1078732944 /nfs/dbraw/zinc/73/29/44/1078732944.db2.gz OFTMHNGSOHNRON-OAQYLSRUSA-N 0 3 416.566 2.668 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000804926679 1078782792 /nfs/dbraw/zinc/78/27/92/1078782792.db2.gz NKSMDZFWIYYMFT-UXHICEINSA-N 0 3 402.539 2.809 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229008 1078887866 /nfs/dbraw/zinc/88/78/66/1078887866.db2.gz IHDDTOHVGMWPDN-NWDGAFQWSA-N 0 3 420.678 2.538 20 0 HFADHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231430 1078966759 /nfs/dbraw/zinc/96/67/59/1078966759.db2.gz KNFFVISDISQQDT-IAGOWNOFSA-N 0 3 419.323 2.536 20 0 HFADHN CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805195946 1078969986 /nfs/dbraw/zinc/96/99/86/1078969986.db2.gz HENGMCQAVNKXCR-XMMPIXPASA-N 0 3 408.546 2.644 20 0 HFADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)no1 ZINC000805197544 1078971012 /nfs/dbraw/zinc/97/10/12/1078971012.db2.gz FWCLAWUPEQQOJK-REWPJTCUSA-N 0 3 410.518 2.817 20 0 HFADHN CCOc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1OCc1cccnc1 ZINC000747236397 1078994103 /nfs/dbraw/zinc/99/41/03/1078994103.db2.gz MJDLIPPKUGEKLK-UXHICEINSA-N 0 3 411.502 2.652 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236409 1078994178 /nfs/dbraw/zinc/99/41/78/1078994178.db2.gz MJOWJKAVDVWMLB-RBUKOAKNSA-N 0 3 406.486 2.506 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000805257668 1079000660 /nfs/dbraw/zinc/00/06/60/1079000660.db2.gz BTKIAZKMTHJHQS-RDTXWAMCSA-N 0 3 401.429 2.644 20 0 HFADHN CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000805276938 1079005295 /nfs/dbraw/zinc/00/52/95/1079005295.db2.gz LTRWXHCXMMSRPN-LTSKSLEPSA-N 0 3 410.518 2.661 20 0 HFADHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747235337 1079009087 /nfs/dbraw/zinc/00/90/87/1079009087.db2.gz CNDQPPRTRXZXKW-CVEARBPZSA-N 0 3 402.520 2.572 20 0 HFADHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000805331531 1079022404 /nfs/dbraw/zinc/02/24/04/1079022404.db2.gz OEUFPFJZZPFVHS-DHVPZBTDSA-N 0 3 419.566 2.534 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000805400122 1079040779 /nfs/dbraw/zinc/04/07/79/1079040779.db2.gz OSCZIZYFAKVHTB-UHFFFAOYSA-N 0 3 420.476 2.569 20 0 HFADHN COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000747241339 1079060446 /nfs/dbraw/zinc/06/04/46/1079060446.db2.gz NOLPDIMAUVAWGR-RAXLEYEMSA-N 0 3 414.527 2.947 20 0 HFADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206202 1079083807 /nfs/dbraw/zinc/08/38/07/1079083807.db2.gz JPRHULVDJHXMBT-TZMCWYRMSA-N 0 3 417.926 2.661 20 0 HFADHN CC(C)N(C(=O)Cn1cnc2sccc2c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130256815 1079145631 /nfs/dbraw/zinc/14/56/31/1079145631.db2.gz DWKYUMOOZSBUCC-GOSISDBHSA-N 0 3 410.543 2.970 20 0 HFADHN COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC001130301637 1079193763 /nfs/dbraw/zinc/19/37/63/1079193763.db2.gz SKNUCRRZLJQKTR-ZWKOTPCHSA-N 0 3 401.536 2.501 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(CCc1nnnn1-c1ccccc1)C2 ZINC000805793877 1079259892 /nfs/dbraw/zinc/25/98/92/1079259892.db2.gz OHEKOYGOHWUKPP-JOCHJYFZSA-N 0 3 412.538 2.928 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000805839123 1079277758 /nfs/dbraw/zinc/27/77/58/1079277758.db2.gz DGNLZGCVLSTUSI-UHFFFAOYSA-N 0 3 420.355 2.872 20 0 HFADHN NS(=O)(=O)c1ccc(CCN2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827405 1079297705 /nfs/dbraw/zinc/29/77/05/1079297705.db2.gz QZVDQHPWKHIWTJ-IBGZPJMESA-N 0 3 423.579 2.790 20 0 HFADHN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1)CCC2 ZINC000805940544 1079343666 /nfs/dbraw/zinc/34/36/66/1079343666.db2.gz STGMLMGMVQUMJH-XLIONFOSSA-N 0 3 411.550 2.594 20 0 HFADHN CN(C)CCN1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CC1=O ZINC001130499136 1079416238 /nfs/dbraw/zinc/41/62/38/1079416238.db2.gz XPMQAORFLXOMGL-NTMALXAHSA-N 0 3 401.507 2.800 20 0 HFADHN CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001130529666 1079466178 /nfs/dbraw/zinc/46/61/78/1079466178.db2.gz XIVSETQPSDXLFR-WOJBJXKFSA-N 0 3 402.535 2.858 20 0 HFADHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787332485 1076745182 /nfs/dbraw/zinc/74/51/82/1076745182.db2.gz LNDJXQIMLBDQKC-LNLFQRSKSA-N 0 3 424.586 2.527 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000787471391 1076835340 /nfs/dbraw/zinc/83/53/40/1076835340.db2.gz RMNDWQAIIPAEDY-SFHVURJKSA-N 0 3 414.550 2.550 20 0 HFADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672464 1076906333 /nfs/dbraw/zinc/90/63/33/1076906333.db2.gz SMFIAOOYACXHSG-NVXWUHKLSA-N 0 3 411.468 2.869 20 0 HFADHN CC(C)(C)OC(=O)N1CC(N[C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754317 1076927940 /nfs/dbraw/zinc/92/79/40/1076927940.db2.gz LMOCPRAJEOBTSU-DLBZAZTESA-N 0 3 411.543 2.610 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766522 1076931297 /nfs/dbraw/zinc/93/12/97/1076931297.db2.gz UKOJRPPMVXQBJQ-SUMDDJOVSA-N 0 3 420.506 2.529 20 0 HFADHN Cc1ccccc1C(=O)NC1CCN(CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000787731850 1076934457 /nfs/dbraw/zinc/93/44/57/1076934457.db2.gz SZDUNGNXQPHIDH-UHFFFAOYSA-N 0 3 405.539 2.731 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1)N1CCCCC1 ZINC000787871580 1076967951 /nfs/dbraw/zinc/96/79/51/1076967951.db2.gz BRFKRWYMGVZOKZ-RTBURBONSA-N 0 3 424.545 2.828 20 0 HFADHN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1N(C)C ZINC000787913896 1076993794 /nfs/dbraw/zinc/99/37/94/1076993794.db2.gz SSDMHSUEMCWOBJ-RYUDHWBXSA-N 0 3 411.749 2.872 20 0 HFADHN CN(C(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746723487 1077010939 /nfs/dbraw/zinc/01/09/39/1077010939.db2.gz UUJYDXZJGZLHIO-GOSISDBHSA-N 0 3 409.469 2.930 20 0 HFADHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994200 1077021761 /nfs/dbraw/zinc/02/17/61/1077021761.db2.gz ACCRGWOXMXQZKP-UAGQMJEPSA-N 0 3 414.474 2.559 20 0 HFADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997065 1077023248 /nfs/dbraw/zinc/02/32/48/1077023248.db2.gz WNWZHGSRUWQPHW-WMZOPIPTSA-N 0 3 412.465 2.521 20 0 HFADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997062 1077023257 /nfs/dbraw/zinc/02/32/57/1077023257.db2.gz WNWZHGSRUWQPHW-AEFFLSMTSA-N 0 3 412.465 2.521 20 0 HFADHN COc1ccc([C@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)N2CCCC2)cc1 ZINC000788260769 1077088303 /nfs/dbraw/zinc/08/83/03/1077088303.db2.gz HFLVYPXCRBRRKX-APWZRJJASA-N 0 3 410.522 2.525 20 0 HFADHN CN1CC[C@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000788288189 1077098946 /nfs/dbraw/zinc/09/89/46/1077098946.db2.gz ZDXVQFGXXWZZJN-PMACEKPBSA-N 0 3 417.531 2.677 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742945 1077114433 /nfs/dbraw/zinc/11/44/33/1077114433.db2.gz ATJMEXGJWNORGU-CABCVRRESA-N 0 3 401.442 2.738 20 0 HFADHN CC1(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)CCN(Cc2ccccc2)CC1 ZINC000772718765 1077145479 /nfs/dbraw/zinc/14/54/79/1077145479.db2.gz MUFKVYFGVNQYRK-NRFANRHFSA-N 0 3 422.525 2.952 20 0 HFADHN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436891 1077146174 /nfs/dbraw/zinc/14/61/74/1077146174.db2.gz OPPQZVSWYDFAQO-HOTGVXAUSA-N 0 3 400.527 2.904 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000788595692 1077217332 /nfs/dbraw/zinc/21/73/32/1077217332.db2.gz HBEVPABADPKQHW-UHFFFAOYSA-N 0 3 402.442 2.552 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c(C)c1Cl ZINC000788651607 1077226834 /nfs/dbraw/zinc/22/68/34/1077226834.db2.gz JLJVVBZELOBGNM-NWDGAFQWSA-N 0 3 406.957 2.601 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCc2ccc(F)c(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613932 1077228054 /nfs/dbraw/zinc/22/80/54/1077228054.db2.gz YQDIWCJQDWDFJO-OALUTQOASA-N 0 3 423.529 2.918 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3ccc(CN(C)C)cc3)C2=O)c(C)c1 ZINC000788677389 1077246409 /nfs/dbraw/zinc/24/64/09/1077246409.db2.gz BFSASAVGMKQQDJ-FQEVSTJZSA-N 0 3 415.559 2.757 20 0 HFADHN CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788687837 1077251487 /nfs/dbraw/zinc/25/14/87/1077251487.db2.gz GETRCAHRVUHRND-VXKWHMMOSA-N 0 3 406.530 2.703 20 0 HFADHN CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)Cc1ccccc1 ZINC000788688853 1077251861 /nfs/dbraw/zinc/25/18/61/1077251861.db2.gz MHINKQIKHFZMRM-YADHBBJMSA-N 0 3 408.546 2.602 20 0 HFADHN C[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000788658149 1077255440 /nfs/dbraw/zinc/25/54/40/1077255440.db2.gz UDMDYIQLQOXMDW-HOTGVXAUSA-N 0 3 411.568 2.767 20 0 HFADHN CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788762438 1077279707 /nfs/dbraw/zinc/27/97/07/1077279707.db2.gz SCUFBVSLHKRMSR-QGZVFWFLSA-N 0 3 405.514 2.973 20 0 HFADHN CCOC1CC(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000788780655 1077299848 /nfs/dbraw/zinc/29/98/48/1077299848.db2.gz CXUNBLQPJJVBFK-QNGMFEMESA-N 0 3 400.567 2.647 20 0 HFADHN C[C@H](NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820284 1077308114 /nfs/dbraw/zinc/30/81/14/1077308114.db2.gz UIGQIMWLSUJVOM-ZFWWWQNUSA-N 0 3 418.460 2.921 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788832918 1077314186 /nfs/dbraw/zinc/31/41/86/1077314186.db2.gz UDHKFOXKZDCMHN-WTIAFYNJSA-N 0 3 420.557 2.949 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3c(F)cccc3Cl)cc2)CC1 ZINC000746993795 1077350426 /nfs/dbraw/zinc/35/04/26/1077350426.db2.gz MLJPIFIFKYPUHC-UHFFFAOYSA-N 0 3 418.900 2.876 20 0 HFADHN CCO[C@@H]1C[C@@](O)(CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1(C)C ZINC000789002732 1077377945 /nfs/dbraw/zinc/37/79/45/1077377945.db2.gz HKLYAKRBGOTVID-DENIHFKCSA-N 0 3 404.555 2.516 20 0 HFADHN CCO[C@H]1C[C@@](O)(CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1(C)C ZINC000789002857 1077378647 /nfs/dbraw/zinc/37/86/47/1077378647.db2.gz HKLYAKRBGOTVID-SIKLNZKXSA-N 0 3 404.555 2.516 20 0 HFADHN C[C@@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nnnn1C1CC1 ZINC000791347047 1077381275 /nfs/dbraw/zinc/38/12/75/1077381275.db2.gz WGYLAGVYVGPDTN-BXKDBHETSA-N 0 3 410.261 2.972 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746797954 1077488426 /nfs/dbraw/zinc/48/84/26/1077488426.db2.gz QHCUSNKIGCKPQP-KRWDZBQOSA-N 0 3 424.501 2.527 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](C)N(C)Cc3ccccc3)C2)c1 ZINC000791590017 1077493521 /nfs/dbraw/zinc/49/35/21/1077493521.db2.gz SZQGUQAJZBMIDZ-AOMKIAJQSA-N 0 3 411.502 2.834 20 0 HFADHN COC(=O)CC1(NCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CCCC1 ZINC000791589623 1077493600 /nfs/dbraw/zinc/49/36/00/1077493600.db2.gz QNQDTVCVXPGWKW-IAGOWNOFSA-N 0 3 403.523 2.704 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=S)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000789395930 1077536728 /nfs/dbraw/zinc/53/67/28/1077536728.db2.gz ROOVFLQARFYWMG-LJQANCHMSA-N 0 3 415.559 2.776 20 0 HFADHN CC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828719 1077576880 /nfs/dbraw/zinc/57/68/80/1077576880.db2.gz OVAKAEZJDAJISY-REWPJTCUSA-N 0 3 404.514 2.849 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454670 1077580761 /nfs/dbraw/zinc/58/07/61/1077580761.db2.gz DJYRUDUPVZGQCM-DEOSSOPVSA-N 0 3 424.589 2.957 20 0 HFADHN CCOC(=O)C1C(CN2CCC[C@]2(CO)CC(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000789507606 1077601413 /nfs/dbraw/zinc/60/14/13/1077601413.db2.gz SRBUINVXDTWIQA-NZQKXSOJSA-N 0 3 415.534 2.731 20 0 HFADHN CCOC(=O)C1=C(CN2CCC[C@]2(CO)CC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000789507606 1077601415 /nfs/dbraw/zinc/60/14/15/1077601415.db2.gz SRBUINVXDTWIQA-NZQKXSOJSA-N 0 3 415.534 2.731 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000791973612 1077615982 /nfs/dbraw/zinc/61/59/82/1077615982.db2.gz ABVAEBGPQKIDHC-UGKGYDQZSA-N 0 3 400.482 2.989 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000791980697 1077620795 /nfs/dbraw/zinc/62/07/95/1077620795.db2.gz MWPNVVLQNHDLFE-LRYGAUQLSA-N 0 3 424.545 2.630 20 0 HFADHN O=C(Oc1ccc2c(c1)C(=O)NC2)C1CCN(c2ccccc2Br)C1=O ZINC000789548867 1077640113 /nfs/dbraw/zinc/64/01/13/1077640113.db2.gz MWVOSLHMVKIVEP-ZDUSSCGKSA-N 0 3 415.243 2.651 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)C2)c1 ZINC000792096906 1077713845 /nfs/dbraw/zinc/71/38/45/1077713845.db2.gz LATQJVHWUPQBHE-IRLDBZIGSA-N 0 3 411.502 2.924 20 0 HFADHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792255864 1077781382 /nfs/dbraw/zinc/78/13/82/1077781382.db2.gz HHLIUJBNIKHCCE-AWEZNQCLSA-N 0 3 414.497 2.951 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccn(Cc3ccccn3)n2)c1 ZINC000792312289 1077802451 /nfs/dbraw/zinc/80/24/51/1077802451.db2.gz BJDNDGYEXCTOBW-UHFFFAOYSA-N 0 3 408.506 2.931 20 0 HFADHN CC(C)(C)OC(=O)Cc1cccnc1N(C(=N)N)c1ccc(N2CCOCC2)cc1 ZINC001170165344 1077812235 /nfs/dbraw/zinc/81/22/35/1077812235.db2.gz BRAOOTXGBDPFIO-UHFFFAOYSA-N 0 3 411.506 2.834 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000789834809 1077814627 /nfs/dbraw/zinc/81/46/27/1077814627.db2.gz AYEAJJIMYXHYMT-IBGZPJMESA-N 0 3 415.534 2.839 20 0 HFADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789815482 1077824199 /nfs/dbraw/zinc/82/41/99/1077824199.db2.gz DGVQVMLYWJAJFS-SFHVURJKSA-N 0 3 403.523 2.539 20 0 HFADHN CCn1cc([C@@H](O)CN(CCc2nnnn2-c2ccccc2)Cc2ccccc2)cn1 ZINC000792376236 1077843352 /nfs/dbraw/zinc/84/33/52/1077843352.db2.gz LABXCARMYVDBDJ-QFIPXVFZSA-N 0 3 417.517 2.657 20 0 HFADHN Cn1ncc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1Br ZINC000792553507 1077901210 /nfs/dbraw/zinc/90/12/10/1077901210.db2.gz XPBMSYSPGPNEFD-UHFFFAOYSA-N 0 3 409.250 2.718 20 0 HFADHN CN(CCN1CCN(Cc2ccccc2)CC1)Cc1ccc(Br)nc1N ZINC001170193627 1077905010 /nfs/dbraw/zinc/90/50/10/1077905010.db2.gz IHMFZUZJASHORV-UHFFFAOYSA-N 0 3 418.383 2.676 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000790014401 1077913363 /nfs/dbraw/zinc/91/33/63/1077913363.db2.gz GLAUFRJDTNCHDX-UHFFFAOYSA-N 0 3 411.568 2.674 20 0 HFADHN C[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790027941 1077919177 /nfs/dbraw/zinc/91/91/77/1077919177.db2.gz WHLUGQTZXATBFO-MAUKXSAKSA-N 0 3 411.568 2.672 20 0 HFADHN C[C@@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@@H](CN2CCN(C)CC2)C1 ZINC001170281270 1077936866 /nfs/dbraw/zinc/93/68/66/1077936866.db2.gz CMPRSQPWNUQCFB-RBUKOAKNSA-N 0 3 401.986 2.847 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000792719934 1077974042 /nfs/dbraw/zinc/97/40/42/1077974042.db2.gz YPXNPTWJMXTJRA-UHFFFAOYSA-N 0 3 415.921 2.864 20 0 HFADHN CCCN(CN1C[C@]2(CN3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362373 1078004795 /nfs/dbraw/zinc/00/47/95/1078004795.db2.gz KZFZLPHHXUGXDS-GCJKJVERSA-N 0 3 422.570 2.582 20 0 HFADHN CC(C)[C@@H](CCN(C)CN1C[C@]2(CN3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363685 1078005267 /nfs/dbraw/zinc/00/52/67/1078005267.db2.gz BJQAEHVORDIIEX-GCJKJVERSA-N 0 3 424.586 2.732 20 0 HFADHN C[C@@H]1CN(Cn2ccc(=O)c3cccc(Br)c32)CC2(CCOCC2)O1 ZINC000790391968 1078013165 /nfs/dbraw/zinc/01/31/65/1078013165.db2.gz HAOSSMDVXBUNOL-CQSZACIVSA-N 0 3 407.308 2.991 20 0 HFADHN CC(C)OCCN1CCC(NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000790417775 1078021921 /nfs/dbraw/zinc/02/19/21/1078021921.db2.gz OPOYUHPLSHOFJK-UHFFFAOYSA-N 0 3 408.518 2.663 20 0 HFADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792967604 1078038025 /nfs/dbraw/zinc/03/80/25/1078038025.db2.gz BXHWGOUZUNBOAE-UHFFFAOYSA-N 0 3 423.286 2.512 20 0 HFADHN O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000747310898 1079509655 /nfs/dbraw/zinc/50/96/55/1079509655.db2.gz AWDJBHBHBMGCGS-CQSZACIVSA-N 0 3 416.374 2.526 20 0 HFADHN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001170501954 1079509954 /nfs/dbraw/zinc/50/99/54/1079509954.db2.gz VLDWHZMULXKONI-HNNXBMFYSA-N 0 3 400.910 2.978 20 0 HFADHN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001170501956 1079509998 /nfs/dbraw/zinc/50/99/98/1079509998.db2.gz VLDWHZMULXKONI-OAHLLOKOSA-N 0 3 400.910 2.978 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000806254094 1079521995 /nfs/dbraw/zinc/52/19/95/1079521995.db2.gz QYRUCZSTROFSBX-FGTMMUONSA-N 0 3 407.580 2.543 20 0 HFADHN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc3ccccc3)C1)CCC2 ZINC000806299381 1079551798 /nfs/dbraw/zinc/55/17/98/1079551798.db2.gz XZDASHJSVGLVKL-LEWJYISDSA-N 0 3 423.561 2.691 20 0 HFADHN C[C@H]1[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000806293268 1079579579 /nfs/dbraw/zinc/57/95/79/1079579579.db2.gz ZKUKEUACFBWZJP-LIRRHRJNSA-N 0 3 402.445 2.866 20 0 HFADHN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747325465 1079598266 /nfs/dbraw/zinc/59/82/66/1079598266.db2.gz KMMDDIYCEOKLBP-WMZOPIPTSA-N 0 3 421.950 2.897 20 0 HFADHN CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350518 1079623238 /nfs/dbraw/zinc/62/32/38/1079623238.db2.gz MXZPBMQPLVHDCX-UYAOXDASSA-N 0 3 420.554 2.998 20 0 HFADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)no1 ZINC001130610897 1079630480 /nfs/dbraw/zinc/63/04/80/1079630480.db2.gz WSUCSERJOFBDLF-KKSFZXQISA-N 0 3 416.547 2.824 20 0 HFADHN CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000806474688 1079761384 /nfs/dbraw/zinc/76/13/84/1079761384.db2.gz DBUCQHBGWWENFG-QXAKKESOSA-N 0 3 421.632 2.635 20 0 HFADHN CN(C)C[C@H](NC(=S)NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000806593575 1079836476 /nfs/dbraw/zinc/83/64/76/1079836476.db2.gz JBIRBNKONXEUNL-SFHVURJKSA-N 0 3 403.523 2.906 20 0 HFADHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747344139 1079907419 /nfs/dbraw/zinc/90/74/19/1079907419.db2.gz UYKDSDBGTRLMFQ-SJORKVTESA-N 0 3 411.550 2.965 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761058 1079979934 /nfs/dbraw/zinc/97/99/34/1079979934.db2.gz XUARKTHGLCASIR-HKUYNNGSSA-N 0 3 420.554 2.997 20 0 HFADHN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1 ZINC001130742355 1080006065 /nfs/dbraw/zinc/00/60/65/1080006065.db2.gz TULNEVXBVBSCSL-OALUTQOASA-N 0 3 417.550 2.621 20 0 HFADHN COC(=O)c1ccc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)cc1 ZINC001130742244 1080006140 /nfs/dbraw/zinc/00/61/40/1080006140.db2.gz OXBNWYHFNMLVPL-UHFFFAOYSA-N 0 3 411.502 2.742 20 0 HFADHN COCCN(CCN(C)C)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801296 1080018477 /nfs/dbraw/zinc/01/84/77/1080018477.db2.gz UPAOHYVVVHPXMU-UHFFFAOYSA-N 0 3 413.238 2.905 20 0 HFADHN COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001170512130 1080025803 /nfs/dbraw/zinc/02/58/03/1080025803.db2.gz FVVGHQHVJJSKOR-KURKYZTESA-N 0 3 416.518 2.607 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F)N1CCCCC1 ZINC000806856712 1080060695 /nfs/dbraw/zinc/06/06/95/1080060695.db2.gz JNCRTYMXBRHSBR-ZIAGYGMSSA-N 0 3 401.429 2.945 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806869786 1080070157 /nfs/dbraw/zinc/07/01/57/1080070157.db2.gz AGPTZLMTDFNNHP-UHFFFAOYSA-N 0 3 419.472 2.721 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(C(C)=O)c3)cc2)CC1 ZINC000806993552 1080172188 /nfs/dbraw/zinc/17/21/88/1080172188.db2.gz BUVGXZCSXCPHIN-UHFFFAOYSA-N 0 3 412.465 2.747 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)c(C)c2)CC1 ZINC000806994929 1080172676 /nfs/dbraw/zinc/17/26/76/1080172676.db2.gz ZTOGQDXSWHQTMP-UHFFFAOYSA-N 0 3 424.545 2.942 20 0 HFADHN C[C@@]1(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CN2CCC1CC2 ZINC001130798633 1080185357 /nfs/dbraw/zinc/18/53/57/1080185357.db2.gz IPBQXQRQSQUUID-GOSISDBHSA-N 0 3 409.328 2.561 20 0 HFADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCC1CCC1 ZINC000807042713 1080201208 /nfs/dbraw/zinc/20/12/08/1080201208.db2.gz QWYCECFOGARMNT-UHFFFAOYSA-N 0 3 410.356 2.646 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](C)C1 ZINC000807088374 1080266743 /nfs/dbraw/zinc/26/67/43/1080266743.db2.gz AFTGEOKISSSQRK-DBXWQHBBSA-N 0 3 401.551 2.507 20 0 HFADHN CN(C)C[C@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000807212422 1080362617 /nfs/dbraw/zinc/36/26/17/1080362617.db2.gz CEBCTXQBDFCJKL-GUSDMMFLSA-N 0 3 412.509 2.947 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000747389570 1080475090 /nfs/dbraw/zinc/47/50/90/1080475090.db2.gz KCTVSRYNHSHFNG-GOSISDBHSA-N 0 3 415.563 2.575 20 0 HFADHN CON(CC(C)(C)C)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000807360111 1080520865 /nfs/dbraw/zinc/52/08/65/1080520865.db2.gz RKRCYGNLVVYKQR-UHFFFAOYSA-N 0 3 404.555 2.900 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807334903 1080534768 /nfs/dbraw/zinc/53/47/68/1080534768.db2.gz WJOBFCNZGLEFDJ-UHFFFAOYSA-N 0 3 410.518 2.934 20 0 HFADHN CCOC(=O)C1=C(Nc2cccnc2C(=O)N(C)OC)CCN(Cc2ccccc2)C1 ZINC001170522311 1080539420 /nfs/dbraw/zinc/53/94/20/1080539420.db2.gz HYDXBGRCQGMVLL-UHFFFAOYSA-N 0 3 424.501 2.850 20 0 HFADHN C[C@H](NC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000807402800 1080597893 /nfs/dbraw/zinc/59/78/93/1080597893.db2.gz MOUHACLQHWSXOV-WDSOQIARSA-N 0 3 420.554 2.613 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000807409763 1080605308 /nfs/dbraw/zinc/60/53/08/1080605308.db2.gz PEEQDAWCXMUIHV-UHFFFAOYSA-N 0 3 411.521 2.606 20 0 HFADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000807461350 1080638944 /nfs/dbraw/zinc/63/89/44/1080638944.db2.gz ZARUNCOCSLVRCN-RYUDHWBXSA-N 0 3 404.363 2.977 20 0 HFADHN Cc1c(C(=O)N2CCS[C@H]2C(F)(F)F)nnn1-c1cccc2c1CCN(C)C2 ZINC001130953093 1080661092 /nfs/dbraw/zinc/66/10/92/1080661092.db2.gz QOPDTAQSMRRPTB-KRWDZBQOSA-N 0 3 411.453 2.641 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443536 1080664815 /nfs/dbraw/zinc/66/48/15/1080664815.db2.gz NIVOOHLCDDADPU-VDZJLULYSA-N 0 3 403.527 2.598 20 0 HFADHN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CN[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001308547505 1126167897 /nfs/dbraw/zinc/16/78/97/1126167897.db2.gz LHIAKVDMELLJPW-NSISKUIASA-N 0 3 413.522 2.598 20 0 HFADHN COC(=O)c1cccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001460421573 1126191088 /nfs/dbraw/zinc/19/10/88/1126191088.db2.gz FAYLLJYRSACSRO-IBGZPJMESA-N 0 3 405.292 2.640 20 0 HFADHN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164392235 718826280 /nfs/dbraw/zinc/82/62/80/718826280.db2.gz ZNDXVEUBIQTPIO-NVXWUHKLSA-N 0 3 410.852 2.918 20 0 HFADHN Cc1cccc(CN2C(=O)COC3(CCN(c4cc(CN(C)C)ccn4)CC3)[C@H]2C)n1 ZINC001164427126 718951616 /nfs/dbraw/zinc/95/16/16/718951616.db2.gz AYSFHWGDGLFGQS-LJQANCHMSA-N 0 3 423.561 2.633 20 0 HFADHN NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164626653 719082702 /nfs/dbraw/zinc/08/27/02/719082702.db2.gz OXLCHXJACAOBJS-UONOGXRCSA-N 0 3 406.317 2.983 20 0 HFADHN C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)[C@@H](C)CN1C ZINC001164634512 719237729 /nfs/dbraw/zinc/23/77/29/719237729.db2.gz MTIRJYKSJAWCHJ-CABCVRRESA-N 0 3 401.580 2.541 20 0 HFADHN Cn1ncc2c1CN(c1ccc(CN3CCCC3)cn1)C[C@@H]2COc1cccnc1 ZINC001164683711 719598451 /nfs/dbraw/zinc/59/84/51/719598451.db2.gz ICVIRWPGGOLGCV-LJQANCHMSA-N 0 3 404.518 2.989 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@H]2C1 ZINC001164704294 719885649 /nfs/dbraw/zinc/88/56/49/719885649.db2.gz UZYLFYSMYNMVSX-KBMXLJTQSA-N 0 3 401.898 2.593 20 0 HFADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164725818 720418723 /nfs/dbraw/zinc/41/87/23/720418723.db2.gz BAKIIIFFDWWEPG-UNQUKWGNSA-N 0 3 403.486 2.997 20 0 HFADHN O=C(C[C@@H]1OC[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@H]21)N1CCCCC1 ZINC001164835746 720501904 /nfs/dbraw/zinc/50/19/04/720501904.db2.gz KVFWRUIIPHDLRJ-VSKRKVRLSA-N 0 3 412.578 2.921 20 0 HFADHN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164731131 720502489 /nfs/dbraw/zinc/50/24/89/720502489.db2.gz VYYSXWBCVJFHAN-NFBKMPQASA-N 0 3 407.518 2.697 20 0 HFADHN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164731133 720502559 /nfs/dbraw/zinc/50/25/59/720502559.db2.gz VYYSXWBCVJFHAN-OFNKIYASSA-N 0 3 407.518 2.697 20 0 HFADHN CSc1nc2sccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740846 720630077 /nfs/dbraw/zinc/63/00/77/720630077.db2.gz JLBZXRNZNMAZCP-QWHCGFSZSA-N 0 3 400.533 2.545 20 0 HFADHN Clc1cc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)ccn1 ZINC001164743105 720654022 /nfs/dbraw/zinc/65/40/22/720654022.db2.gz OYNFMRNPNBNQPS-ROUUACIJSA-N 0 3 408.893 2.929 20 0 HFADHN Clc1cccc(-c2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)c1 ZINC001164738944 720770775 /nfs/dbraw/zinc/77/07/75/720770775.db2.gz HAKRQQGVNUXFFK-MSOLQXFVSA-N 0 3 408.893 2.929 20 0 HFADHN Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747531 720800323 /nfs/dbraw/zinc/80/03/23/720800323.db2.gz OOTNTYYLUVPAJJ-DLBZAZTESA-N 0 3 423.908 2.632 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870444 721041978 /nfs/dbraw/zinc/04/19/78/721041978.db2.gz VWHWPGPHYOVDGM-ZWKOTPCHSA-N 0 3 416.909 2.786 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866094 721045227 /nfs/dbraw/zinc/04/52/27/721045227.db2.gz CSFLFLVQTSOXFC-KGLIPLIRSA-N 0 3 402.861 2.625 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869512 721050475 /nfs/dbraw/zinc/05/04/75/721050475.db2.gz TZZALWXPSYPRFP-SFTDATJTSA-N 0 3 421.545 2.582 20 0 HFADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869988 721070249 /nfs/dbraw/zinc/07/02/49/721070249.db2.gz VBMQSTVLWWXUJI-JKSUJKDBSA-N 0 3 415.925 2.770 20 0 HFADHN CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771393 721107376 /nfs/dbraw/zinc/10/73/76/721107376.db2.gz SNEAYXHVNJRNER-SJORKVTESA-N 0 3 417.941 2.912 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865466 721112135 /nfs/dbraw/zinc/11/21/35/721112135.db2.gz LNNABGDIHMSZLI-DLBZAZTESA-N 0 3 409.465 2.652 20 0 HFADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863459 721112694 /nfs/dbraw/zinc/11/26/94/721112694.db2.gz CIKRKHNFOAHZLN-PMACEKPBSA-N 0 3 418.497 2.896 20 0 HFADHN CCCN(CCC)c1cncc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865152 721116705 /nfs/dbraw/zinc/11/67/05/721116705.db2.gz IUAANEQOIUDHFB-RTWAWAEBSA-N 0 3 410.566 2.978 20 0 HFADHN CCCN(CCC)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164862803 721116972 /nfs/dbraw/zinc/11/69/72/721116972.db2.gz AOODYIRWYNSRKB-LEWJYISDSA-N 0 3 410.566 2.978 20 0 HFADHN COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768983 721138364 /nfs/dbraw/zinc/13/83/64/721138364.db2.gz OOTFLMHHBBHPPL-JKSUJKDBSA-N 0 3 412.925 2.984 20 0 HFADHN CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762075 721149366 /nfs/dbraw/zinc/14/93/66/721149366.db2.gz BUIVBDYFNYJIQY-IAGOWNOFSA-N 0 3 417.941 2.912 20 0 HFADHN COc1cccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c1 ZINC001164770858 721202640 /nfs/dbraw/zinc/20/26/40/721202640.db2.gz OXKNBECRBASROB-WOJBJXKFSA-N 0 3 404.518 2.844 20 0 HFADHN Cc1nc(-c2ccncc2)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164768437 721219523 /nfs/dbraw/zinc/21/95/23/721219523.db2.gz KZSKSDTVVNTGNB-RTWAWAEBSA-N 0 3 403.534 2.847 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164766217 721231503 /nfs/dbraw/zinc/23/15/03/721231503.db2.gz SZDKMCBRVXITPL-MOPGFXCFSA-N 0 3 405.506 2.701 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@@H]3C2)cn1 ZINC001164769740 721246220 /nfs/dbraw/zinc/24/62/20/721246220.db2.gz ZMABCSGZNPCXIK-GJZGRUSLSA-N 0 3 412.588 2.622 20 0 HFADHN CN(Cc1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164890175 721351919 /nfs/dbraw/zinc/35/19/19/721351919.db2.gz ZZAOOJBWKMZRAG-IFMALSPDSA-N 0 3 406.530 2.653 20 0 HFADHN CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164896628 721502756 /nfs/dbraw/zinc/50/27/56/721502756.db2.gz ITCNATOEUNUEMF-HXUWFJFHSA-N 0 3 400.567 2.825 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCC1 ZINC001164900324 721509586 /nfs/dbraw/zinc/50/95/86/721509586.db2.gz QDORNYYDWAHWKU-UYAOXDASSA-N 0 3 410.493 2.799 20 0 HFADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899668 721518035 /nfs/dbraw/zinc/51/80/35/721518035.db2.gz LOZYZHJQHJHCRF-HKUYNNGSSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908152 721538200 /nfs/dbraw/zinc/53/82/00/721538200.db2.gz PDABEDQOTVMRKF-IEBWSBKVSA-N 0 3 422.460 2.897 20 0 HFADHN CNC(=O)c1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164903426 721542254 /nfs/dbraw/zinc/54/22/54/721542254.db2.gz CLTCZQUAEIVYRA-GOEBONIOSA-N 0 3 404.873 2.576 20 0 HFADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164903102 721561250 /nfs/dbraw/zinc/56/12/50/721561250.db2.gz AKRFZPWFIFPNBI-MJGOQNOKSA-N 0 3 415.538 2.511 20 0 HFADHN NC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907511 721586478 /nfs/dbraw/zinc/58/64/78/721586478.db2.gz UZNAPEPMJUXVDH-IBGZPJMESA-N 0 3 421.879 2.967 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164811239 721589964 /nfs/dbraw/zinc/58/99/64/721589964.db2.gz WXJPDZHIWDMDBO-DNVJHFABSA-N 0 3 407.562 2.941 20 0 HFADHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CCNC3)C2 ZINC001164910045 721748716 /nfs/dbraw/zinc/74/87/16/721748716.db2.gz ZKMGKTYCXKEMCN-UHFFFAOYSA-N 0 3 424.936 2.958 20 0 HFADHN CN(Cc1ccc(N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1)C1CC1 ZINC001164920695 721836925 /nfs/dbraw/zinc/83/69/25/721836925.db2.gz APEFEWFASFTRRY-NZQKXSOJSA-N 0 3 408.550 2.730 20 0 HFADHN CCOC(=O)Cc1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164966306 722062306 /nfs/dbraw/zinc/06/23/06/722062306.db2.gz QNXVAGBZGXIIAL-UHFFFAOYSA-N 0 3 424.545 2.701 20 0 HFADHN CS(=O)(=O)N1C[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2c2ccccc21 ZINC001164972354 722090898 /nfs/dbraw/zinc/09/08/98/722090898.db2.gz GHTMCDMOJWQEKL-AZUAARDMSA-N 0 3 412.559 2.677 20 0 HFADHN Cc1cc(N2CCCC2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981586 722098888 /nfs/dbraw/zinc/09/88/88/722098888.db2.gz LTHSWMALDKLMKV-SFTDATJTSA-N 0 3 408.550 2.508 20 0 HFADHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978207 722099010 /nfs/dbraw/zinc/09/90/10/722099010.db2.gz GESKSEBFPUUXLC-NHCUHLMSSA-N 0 3 408.550 2.508 20 0 HFADHN CCOC(=O)c1ccc(C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977254 722099127 /nfs/dbraw/zinc/09/91/27/722099127.db2.gz FKGVRFONTDBLIA-FPOVZHCZSA-N 0 3 410.518 2.689 20 0 HFADHN CCOC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164986194 722099797 /nfs/dbraw/zinc/09/97/97/722099797.db2.gz YIPGDWLPYBODGF-PZJWPPBQSA-N 0 3 410.518 2.689 20 0 HFADHN FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980077 722105644 /nfs/dbraw/zinc/10/56/44/722105644.db2.gz JFAYCLFYZAIYGA-CVEARBPZSA-N 0 3 409.868 2.797 20 0 HFADHN Nc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164970930 722125858 /nfs/dbraw/zinc/12/58/58/722125858.db2.gz ASUUAMZAYUOZBO-RDJZCZTQSA-N 0 3 423.895 2.984 20 0 HFADHN CCOCc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973371 722135746 /nfs/dbraw/zinc/13/57/46/722135746.db2.gz BZEVKRZKEWKBKA-HKUYNNGSSA-N 0 3 417.941 2.789 20 0 HFADHN COc1cccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981703 722142904 /nfs/dbraw/zinc/14/29/04/722142904.db2.gz PZXITJWJEXQBAR-NQIIRXRSSA-N 0 3 405.502 2.761 20 0 HFADHN Cc1noc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164979575 722144479 /nfs/dbraw/zinc/14/44/79/722144479.db2.gz LGECFDPDBKHJKS-VQTJNVASSA-N 0 3 406.490 2.562 20 0 HFADHN c1csc(-c2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164972171 722157209 /nfs/dbraw/zinc/15/72/09/722157209.db2.gz GIWOWWJPKHJKLN-ZWKOTPCHSA-N 0 3 408.531 2.722 20 0 HFADHN CN1CCN(c2ncnc3c2CCN(C(C)(C)c2ccnc(Cl)c2)CC3)CC1 ZINC001165005509 722240382 /nfs/dbraw/zinc/24/03/82/722240382.db2.gz UGOQYXANBQRGAY-UHFFFAOYSA-N 0 3 400.958 2.613 20 0 HFADHN CCCNC(=O)CN1CCC(NCc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790519726 1078049731 /nfs/dbraw/zinc/04/97/31/1078049731.db2.gz RYTXEBVTRBVSKB-UHFFFAOYSA-N 0 3 403.958 2.665 20 0 HFADHN COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046010 1078055575 /nfs/dbraw/zinc/05/55/75/1078055575.db2.gz ZAOLDQOFSINBDK-FHSNZYRGSA-N 0 3 401.429 2.969 20 0 HFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1F ZINC000790575474 1078067046 /nfs/dbraw/zinc/06/70/46/1078067046.db2.gz HDSUPOLHHMZFNN-GOSISDBHSA-N 0 3 413.559 2.706 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790577158 1078067079 /nfs/dbraw/zinc/06/70/79/1078067079.db2.gz RTGVTJGLXGKEQF-KRWDZBQOSA-N 0 3 413.971 2.730 20 0 HFADHN CNC(=O)c1ccc(CNCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1 ZINC000790609251 1078074595 /nfs/dbraw/zinc/07/45/95/1078074595.db2.gz NSANZCWUNAECIR-QHCPKHFHSA-N 0 3 406.486 2.561 20 0 HFADHN C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790738240 1078120023 /nfs/dbraw/zinc/12/00/23/1078120023.db2.gz FOPKTADFFZMTPH-CDNPAEQRSA-N 0 3 411.521 2.806 20 0 HFADHN C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790738243 1078120059 /nfs/dbraw/zinc/12/00/59/1078120059.db2.gz FOPKTADFFZMTPH-TZYHBYERSA-N 0 3 411.521 2.806 20 0 HFADHN C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747457 1078123524 /nfs/dbraw/zinc/12/35/24/1078123524.db2.gz OIXQKNNMIOFCCK-SUMWQHHRSA-N 0 3 404.873 2.982 20 0 HFADHN C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747455 1078123653 /nfs/dbraw/zinc/12/36/53/1078123653.db2.gz OIXQKNNMIOFCCK-GUYCJALGSA-N 0 3 404.873 2.982 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513307 1078196421 /nfs/dbraw/zinc/19/64/21/1078196421.db2.gz BCJMQJXORQJBCG-UWJYYQICSA-N 0 3 413.493 2.915 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC000793513347 1078196465 /nfs/dbraw/zinc/19/64/65/1078196465.db2.gz BJCLFILXRSIHQX-FQEVSTJZSA-N 0 3 405.539 2.919 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515349 1078197363 /nfs/dbraw/zinc/19/73/63/1078197363.db2.gz DOPPYYYXTYEVEN-NHCUHLMSSA-N 0 3 411.502 2.998 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC000793519557 1078198233 /nfs/dbraw/zinc/19/82/33/1078198233.db2.gz QUWBJOMBFLBYFH-NRFANRHFSA-N 0 3 408.502 2.593 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170434865 1078210476 /nfs/dbraw/zinc/21/04/76/1078210476.db2.gz ANHDWUKFASBZDX-MXBUBSDBSA-N 0 3 423.513 2.793 20 0 HFADHN C[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1nc2ccccc2s1 ZINC000793721626 1078266277 /nfs/dbraw/zinc/26/62/77/1078266277.db2.gz YXGSWVNSMPMFOS-WBVHZDCISA-N 0 3 410.543 2.763 20 0 HFADHN Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000793729344 1078268871 /nfs/dbraw/zinc/26/88/71/1078268871.db2.gz HLPHGEYDHZASSH-UHFFFAOYSA-N 0 3 402.492 2.671 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)N1CCCCC1 ZINC000793694815 1078271187 /nfs/dbraw/zinc/27/11/87/1078271187.db2.gz BNNMOLQZKSHIEU-IRXDYDNUSA-N 0 3 418.607 2.719 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)N1CCCCC1 ZINC000793709182 1078277857 /nfs/dbraw/zinc/27/78/57/1078277857.db2.gz KETGFRHZHRBCDO-SFHVURJKSA-N 0 3 413.562 2.883 20 0 HFADHN CC1CCN([C@@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782334 1078292575 /nfs/dbraw/zinc/29/25/75/1078292575.db2.gz GOEMRBZJNNPOCB-GMAHTHKFSA-N 0 3 420.557 2.987 20 0 HFADHN Cc1ncc(CCNC(=O)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000793788179 1078296186 /nfs/dbraw/zinc/29/61/86/1078296186.db2.gz XNGWNOOXTHNEFH-HXUWFJFHSA-N 0 3 414.575 2.700 20 0 HFADHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 ZINC000793846422 1078313301 /nfs/dbraw/zinc/31/33/01/1078313301.db2.gz FQLWVLKTEKEXOU-HZPDHXFCSA-N 0 3 400.548 2.971 20 0 HFADHN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000793849601 1078321313 /nfs/dbraw/zinc/32/13/13/1078321313.db2.gz NHBCKYUHUBXCGB-KRWDZBQOSA-N 0 3 414.575 2.794 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170439929 1078342033 /nfs/dbraw/zinc/34/20/33/1078342033.db2.gz ANHDWUKFASBZDX-UGTOYMOASA-N 0 3 423.513 2.793 20 0 HFADHN COCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793982842 1078356047 /nfs/dbraw/zinc/35/60/47/1078356047.db2.gz QUGAXSNJFQHBGC-QGZVFWFLSA-N 0 3 411.587 2.887 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001170441705 1078356671 /nfs/dbraw/zinc/35/66/71/1078356671.db2.gz JTHDDWKLXRANKV-JTAQYXEDSA-N 0 3 413.518 2.883 20 0 HFADHN COCCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)C1CCN(C)CC1 ZINC000794041800 1078364230 /nfs/dbraw/zinc/36/42/30/1078364230.db2.gz KOSOULNAFUNGJK-GOSISDBHSA-N 0 3 406.445 2.687 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001170444685 1078391186 /nfs/dbraw/zinc/39/11/86/1078391186.db2.gz UGHVDAKQEQOOFE-NOXFTYBFSA-N 0 3 413.518 2.926 20 0 HFADHN CN(C)C[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)c2ccccc2O1 ZINC000772844096 1078394088 /nfs/dbraw/zinc/39/40/88/1078394088.db2.gz JNRWRVVAVNCQHS-QGZVFWFLSA-N 0 3 400.500 2.969 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000794338034 1078418835 /nfs/dbraw/zinc/41/88/35/1078418835.db2.gz DXMDNECCKMJAHT-IRXDYDNUSA-N 0 3 418.538 2.774 20 0 HFADHN CCCc1nc(C)c(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC000794319442 1078412710 /nfs/dbraw/zinc/41/27/10/1078412710.db2.gz HHRNWQLWZPSEGN-MRXNPFEDSA-N 0 3 408.543 2.788 20 0 HFADHN Cc1cccc(N2CCN(CCC(=O)N(CCO)Cc3cccnc3Cl)CC2)c1 ZINC000794333413 1078417318 /nfs/dbraw/zinc/41/73/18/1078417318.db2.gz VAVUZKGWARSHOP-UHFFFAOYSA-N 0 3 416.953 2.577 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000794342850 1078420484 /nfs/dbraw/zinc/42/04/84/1078420484.db2.gz HHBYZKPGIHJRKT-LJQANCHMSA-N 0 3 422.529 2.799 20 0 HFADHN CC[C@@]1(C(=O)N2CCN(c3ccncc3OC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000794346822 1078421577 /nfs/dbraw/zinc/42/15/77/1078421577.db2.gz XGLAHRZZJZFYMT-QFIPXVFZSA-N 0 3 418.538 2.919 20 0 HFADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420306 1078469350 /nfs/dbraw/zinc/46/93/50/1078469350.db2.gz GSBDNXGQVNXNSK-ZFWWWQNUSA-N 0 3 401.429 2.753 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000804431683 1078477178 /nfs/dbraw/zinc/47/71/78/1078477178.db2.gz VHKGPATWGLHZEJ-CQSZACIVSA-N 0 3 407.563 2.629 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804657371 1078489500 /nfs/dbraw/zinc/48/95/00/1078489500.db2.gz PSENOMWMOWPEJJ-OAQYLSRUSA-N 0 3 416.566 2.910 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000804441698 1078506967 /nfs/dbraw/zinc/50/69/67/1078506967.db2.gz JENUBCDQAKDMTQ-UHFFFAOYSA-N 0 3 406.328 2.978 20 0 HFADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)CN3CCCC3)s2)CC1 ZINC001129809021 1078507560 /nfs/dbraw/zinc/50/75/60/1078507560.db2.gz FXBNBKNEIYTCHR-UHFFFAOYSA-N 0 3 413.609 2.773 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000804447117 1078512676 /nfs/dbraw/zinc/51/26/76/1078512676.db2.gz XCOLVQRUSUBDRL-CYBMUJFWSA-N 0 3 401.298 2.548 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000804464421 1078526648 /nfs/dbraw/zinc/52/66/48/1078526648.db2.gz VHAMPWFJCXVJFJ-ZDUSSCGKSA-N 0 3 401.298 2.548 20 0 HFADHN C[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCNC(=O)C1 ZINC001129564791 1078558498 /nfs/dbraw/zinc/55/84/98/1078558498.db2.gz ZKGOUKVUXRTVBK-IMSXRSKXSA-N 0 3 409.505 2.826 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC001129585656 1078584083 /nfs/dbraw/zinc/58/40/83/1078584083.db2.gz USBUCRCNEPXZBL-UHFFFAOYSA-N 0 3 423.604 2.983 20 0 HFADHN O=C(N1CCC[C@@H](n2ccnn2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001129933250 1078598418 /nfs/dbraw/zinc/59/84/18/1078598418.db2.gz QZLJJUZQCZGYOH-IEBWSBKVSA-N 0 3 407.440 2.896 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000804563563 1078599297 /nfs/dbraw/zinc/59/92/97/1078599297.db2.gz SPZPRJQTQISMKZ-KGLIPLIRSA-N 0 3 407.563 2.818 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000804970710 1078806089 /nfs/dbraw/zinc/80/60/89/1078806089.db2.gz SXNRMOFJQDQJIT-APWZRJJASA-N 0 3 413.440 2.788 20 0 HFADHN Cc1nc(S(=O)(=O)N(CCN2CCCCCC2)C(C)C)c(Br)n1C ZINC000805107663 1078891633 /nfs/dbraw/zinc/89/16/33/1078891633.db2.gz WHCIFLOYASYUQT-UHFFFAOYSA-N 0 3 421.405 2.766 20 0 HFADHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000805107382 1078892451 /nfs/dbraw/zinc/89/24/51/1078892451.db2.gz RZQWOXHSGUBXGZ-UHFFFAOYSA-N 0 3 409.552 2.918 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000805119039 1078902322 /nfs/dbraw/zinc/90/23/22/1078902322.db2.gz HFJPTVCRRBZNRD-QFBILLFUSA-N 0 3 413.440 2.788 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231057 1078944315 /nfs/dbraw/zinc/94/43/15/1078944315.db2.gz DXXSMHIEONZCBX-FPOVZHCZSA-N 0 3 406.486 2.506 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC=C(c3ccc(C)cc3)CC2)CC1 ZINC000805157266 1078950685 /nfs/dbraw/zinc/95/06/85/1078950685.db2.gz PKIBJFSCUHPJEX-UHFFFAOYSA-N 0 3 413.562 2.616 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199272 1078952696 /nfs/dbraw/zinc/95/26/96/1078952696.db2.gz QEWXWWUQJYRPRX-TVTNDZMWSA-N 0 3 406.571 2.902 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000747232076 1078956579 /nfs/dbraw/zinc/95/65/79/1078956579.db2.gz QZQAAUHDJBMNHZ-KCZVDYSFSA-N 0 3 406.482 2.734 20 0 HFADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805180534 1078964914 /nfs/dbraw/zinc/96/49/14/1078964914.db2.gz KUIRLNKUINSJTO-XXBNENTESA-N 0 3 416.610 2.724 20 0 HFADHN CN1CCC[C@@H](NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184227 1078966074 /nfs/dbraw/zinc/96/60/74/1078966074.db2.gz LDPSLZRXUFWETQ-IEBWSBKVSA-N 0 3 402.539 2.914 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236412 1078994078 /nfs/dbraw/zinc/99/40/78/1078994078.db2.gz MJOWJKAVDVWMLB-RTBURBONSA-N 0 3 406.486 2.506 20 0 HFADHN CNC(=O)c1cncc(/C=C\C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000805276937 1079005238 /nfs/dbraw/zinc/00/52/38/1079005238.db2.gz LTRWXHCXMMSRPN-JLXOPUERSA-N 0 3 410.518 2.661 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236681 1079011802 /nfs/dbraw/zinc/01/18/02/1079011802.db2.gz NUJSXPFXUKUCJT-OLZOCXBDSA-N 0 3 412.387 2.623 20 0 HFADHN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC001130301076 1079192134 /nfs/dbraw/zinc/19/21/34/1079192134.db2.gz GRKVOPXWNNUGBA-RTBURBONSA-N 0 3 415.563 2.810 20 0 HFADHN COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC001130301635 1079193875 /nfs/dbraw/zinc/19/38/75/1079193875.db2.gz SKNUCRRZLJQKTR-QZTJIDSGSA-N 0 3 401.536 2.501 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000805728887 1079238057 /nfs/dbraw/zinc/23/80/57/1079238057.db2.gz VTUOWQIQZXTUGN-HXUWFJFHSA-N 0 3 404.551 2.760 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c(Cl)cc1Cl ZINC000747273348 1079303763 /nfs/dbraw/zinc/30/37/63/1079303763.db2.gz MEPNUBIRHVGWRD-LLVKDONJSA-N 0 3 409.335 2.742 20 0 HFADHN Cc1cccnc1[C@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)C(C)C ZINC000805872741 1079314091 /nfs/dbraw/zinc/31/40/91/1079314091.db2.gz UHCWYTBCAHNZAZ-OAQYLSRUSA-N 0 3 410.562 2.836 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)N(C)Cc1ccccc1 ZINC000805941897 1079344364 /nfs/dbraw/zinc/34/43/64/1079344364.db2.gz CFGJAUNFBAORJY-XXBNENTESA-N 0 3 423.557 2.907 20 0 HFADHN Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc3ccccc3)CC2)cc1 ZINC000805940946 1079344374 /nfs/dbraw/zinc/34/43/74/1079344374.db2.gz IMWXCSGCUYAYHO-OAQYLSRUSA-N 0 3 422.573 2.670 20 0 HFADHN CC1(C(=O)OC[C@@H]2CN(c3ncccn3)CCO2)CCN(Cc2ccccc2)CC1 ZINC000805931121 1079360346 /nfs/dbraw/zinc/36/03/46/1079360346.db2.gz DUYKZJLKMRUONI-FQEVSTJZSA-N 0 3 410.518 2.527 20 0 HFADHN COc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519866 1079451571 /nfs/dbraw/zinc/45/15/71/1079451571.db2.gz YLAMMFPOTUSLGT-DLBZAZTESA-N 0 3 423.579 2.519 20 0 HFADHN Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130542295 1079462840 /nfs/dbraw/zinc/46/28/40/1079462840.db2.gz SJDYZUGSKYOGGK-UHFFFAOYSA-N 0 3 413.566 2.986 20 0 HFADHN COCc1cc([C@@H](C)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1OC ZINC000806183095 1079476696 /nfs/dbraw/zinc/47/66/96/1079476696.db2.gz LYTZSGNJGNTKER-APWZRJJASA-N 0 3 404.532 2.955 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335853 1076746650 /nfs/dbraw/zinc/74/66/50/1076746650.db2.gz VWOARKMIXJMFFG-KZNAEPCWSA-N 0 3 424.586 2.669 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1cccnc1Oc1cccc(F)c1)N1CCCCC1 ZINC000787300268 1076749072 /nfs/dbraw/zinc/74/90/72/1076749072.db2.gz YREZHOLSIGBJPG-MRXNPFEDSA-N 0 3 414.481 2.620 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322280 1076766180 /nfs/dbraw/zinc/76/61/80/1076766180.db2.gz CZESIGJXWQVRAU-KURKYZTESA-N 0 3 424.586 2.717 20 0 HFADHN C[C@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCCC1 ZINC000787611723 1076878335 /nfs/dbraw/zinc/87/83/35/1076878335.db2.gz VSUZPIZNGQTDTM-YLJYHZDGSA-N 0 3 420.985 2.584 20 0 HFADHN C[C@H](OC(=O)C1CCN(c2ccc(F)cc2)C1=O)c1nnnn1C1CCCCC1 ZINC000787661583 1076902985 /nfs/dbraw/zinc/90/29/85/1076902985.db2.gz GSDZPRIDKVAZAA-GUYCJALGSA-N 0 3 401.442 2.975 20 0 HFADHN CC(C)c1ccc(N2CC[C@H](C(=O)N3CCN(C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787679420 1076908461 /nfs/dbraw/zinc/90/84/61/1076908461.db2.gz QLBAUVDYJNNPLY-XMSQKQJNSA-N 0 3 413.562 2.875 20 0 HFADHN CN1CC[C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689539 1076913463 /nfs/dbraw/zinc/91/34/63/1076913463.db2.gz LKNOSDROOLGINY-OXQOHEQNSA-N 0 3 412.559 2.699 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759416 1076929026 /nfs/dbraw/zinc/92/90/26/1076929026.db2.gz GELYJUGJHUJMHC-ZACQAIPSSA-N 0 3 412.527 2.593 20 0 HFADHN CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000787877341 1076972163 /nfs/dbraw/zinc/97/21/63/1076972163.db2.gz XANKQBAGVRCHAD-RBUKOAKNSA-N 0 3 403.567 2.902 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)c1 ZINC000787902375 1077004801 /nfs/dbraw/zinc/00/48/01/1077004801.db2.gz XJSMSMADHUJSTA-UHFFFAOYSA-N 0 3 416.909 2.750 20 0 HFADHN CC(=O)CC(C)(C)CC(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000788142262 1077063807 /nfs/dbraw/zinc/06/38/07/1077063807.db2.gz UWFQYFQCPAMKGQ-UHFFFAOYSA-N 0 3 402.535 2.968 20 0 HFADHN CC1(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)CCN(Cc2ccccc2)CC1 ZINC000772717763 1077093424 /nfs/dbraw/zinc/09/34/24/1077093424.db2.gz IDSJPZBYZVFRLY-FQEVSTJZSA-N 0 3 400.519 2.612 20 0 HFADHN CN(C(=S)NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cnccn2)CC1 ZINC000788339524 1077109045 /nfs/dbraw/zinc/10/90/45/1077109045.db2.gz XJOIACFMXXWHJS-UHFFFAOYSA-N 0 3 424.618 2.916 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744762 1077125912 /nfs/dbraw/zinc/12/59/12/1077125912.db2.gz WRAMMJDOOKTCMA-ROUUACIJSA-N 0 3 400.454 2.784 20 0 HFADHN CC1(C(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)CCN(Cc2ccccc2)CC1 ZINC000772718767 1077145486 /nfs/dbraw/zinc/14/54/86/1077145486.db2.gz MUFKVYFGVNQYRK-OAQYLSRUSA-N 0 3 422.525 2.952 20 0 HFADHN CCN(CCC[NH+](CC)CC)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000788535407 1077205650 /nfs/dbraw/zinc/20/56/50/1077205650.db2.gz CWLRKFQFGBFSMR-UHFFFAOYSA-N 0 3 417.522 2.600 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)c(C)c1Cl ZINC000788597045 1077217544 /nfs/dbraw/zinc/21/75/44/1077217544.db2.gz YCYLBSUSKIMBDH-UHFFFAOYSA-N 0 3 406.957 2.649 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@H](c2cccs2)N2CCCC2)=NO1 ZINC000788621893 1077232463 /nfs/dbraw/zinc/23/24/63/1077232463.db2.gz YFLLLUXDNQTIMW-GDBMZVCRSA-N 0 3 422.551 2.671 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788627507 1077235729 /nfs/dbraw/zinc/23/57/29/1077235729.db2.gz YGQXZMQOQBBOLS-QGZVFWFLSA-N 0 3 411.568 2.674 20 0 HFADHN CCOC(=O)[C@H]1[C@H](NCc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641155 1077243470 /nfs/dbraw/zinc/24/34/70/1077243470.db2.gz VMZZGLVTYTTWQW-RTBURBONSA-N 0 3 414.506 2.903 20 0 HFADHN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681877 1077249274 /nfs/dbraw/zinc/24/92/74/1077249274.db2.gz ZRPLPDUUXMERLH-DOTOQJQBSA-N 0 3 411.568 2.815 20 0 HFADHN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681879 1077249289 /nfs/dbraw/zinc/24/92/89/1077249289.db2.gz ZRPLPDUUXMERLH-RDJZCZTQSA-N 0 3 411.568 2.815 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@@H](C)[C@@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670286 1077261595 /nfs/dbraw/zinc/26/15/95/1077261595.db2.gz IOUXWLSDMKTDFW-NQYYFHDYSA-N 0 3 406.523 2.509 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000791062264 1077286813 /nfs/dbraw/zinc/28/68/13/1077286813.db2.gz TVNKFSZYZLDLLH-KRWDZBQOSA-N 0 3 413.971 2.585 20 0 HFADHN CCS(=O)(=O)N1CCC(CN[C@@H](C)c2nc(Br)ccc2F)CC1 ZINC000788743688 1077287468 /nfs/dbraw/zinc/28/74/68/1077287468.db2.gz ZWDAWVVHDDHNTN-NSHDSACASA-N 0 3 408.337 2.696 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788826021 1077311295 /nfs/dbraw/zinc/31/12/95/1077311295.db2.gz NPIINJHAXHEDJD-KNQAVFIVSA-N 0 3 408.546 2.949 20 0 HFADHN Cc1c(C[C@@H](CNCc2cn3ccccc3n2)CNC(=O)OC(C)(C)C)cnn1C ZINC000788857932 1077321969 /nfs/dbraw/zinc/32/19/69/1077321969.db2.gz YNWXACGSKJRYBV-KRWDZBQOSA-N 0 3 412.538 2.849 20 0 HFADHN Cc1cnc2c(N(CCN)c3ccc(=O)n(CC4CCC4)n3)nc3ccc(C)cc3n12 ZINC001170150377 1077340039 /nfs/dbraw/zinc/34/00/39/1077340039.db2.gz VMVIARNVBLINKV-UHFFFAOYSA-N 0 3 417.517 2.953 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)CC1 ZINC000746995355 1077365240 /nfs/dbraw/zinc/36/52/40/1077365240.db2.gz ZQKRANQJRKYKMU-KRWDZBQOSA-N 0 3 410.518 2.653 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC000791343423 1077380263 /nfs/dbraw/zinc/38/02/63/1077380263.db2.gz KZYJLCVZOAHLAU-LJQANCHMSA-N 0 3 417.550 2.842 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](OC(=O)C3CC[C@H](C(F)(F)F)NC3=O)C2=O)c(C)c1 ZINC000789019541 1077386605 /nfs/dbraw/zinc/38/66/05/1077386605.db2.gz WDOXQRBGZRDNFO-QLFBSQMISA-N 0 3 412.408 2.717 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(CN(C)C)ccc3OC)C2)c1 ZINC000791508235 1077448107 /nfs/dbraw/zinc/44/81/07/1077448107.db2.gz ORJNPVXEEGVJIE-OAQYLSRUSA-N 0 3 413.474 2.906 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000789221978 1077448780 /nfs/dbraw/zinc/44/87/80/1077448780.db2.gz JMLOAMDSAVTTQX-NRFANRHFSA-N 0 3 423.513 2.592 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CCN(C)C)Cc3ccc(C)o3)C2)c1 ZINC000791636192 1077521174 /nfs/dbraw/zinc/52/11/74/1077521174.db2.gz FFVCSEZLQVKWJU-NRFANRHFSA-N 0 3 415.490 2.689 20 0 HFADHN O=C(OC[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791776026 1077548637 /nfs/dbraw/zinc/54/86/37/1077548637.db2.gz DDBAZHSJRLCZFG-AAEUAGOBSA-N 0 3 420.314 2.714 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791753409 1077552741 /nfs/dbraw/zinc/55/27/41/1077552741.db2.gz VQIHLIROEPJZLF-INIZCTEOSA-N 0 3 418.538 2.683 20 0 HFADHN CC(=O)[C@H]1CC(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828716 1077576928 /nfs/dbraw/zinc/57/69/28/1077576928.db2.gz OVAKAEZJDAJISY-NFBKMPQASA-N 0 3 404.514 2.849 20 0 HFADHN CC(C)(NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC000789514733 1077607192 /nfs/dbraw/zinc/60/71/92/1077607192.db2.gz WDPCSQOIPAOPMW-UHFFFAOYSA-N 0 3 402.413 2.775 20 0 HFADHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000792057182 1077664215 /nfs/dbraw/zinc/66/42/15/1077664215.db2.gz IKBAAYGEIACCEW-QHCPKHFHSA-N 0 3 422.529 2.964 20 0 HFADHN CC(C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000789692575 1077730869 /nfs/dbraw/zinc/73/08/69/1077730869.db2.gz AHSGZHTVBBSNHD-ZCNNSNEGSA-N 0 3 421.969 2.913 20 0 HFADHN CCC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255293 1077781755 /nfs/dbraw/zinc/78/17/55/1077781755.db2.gz POVQECCHIRYQRF-CEXWTWQISA-N 0 3 404.551 2.744 20 0 HFADHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000792257370 1077783325 /nfs/dbraw/zinc/78/33/25/1077783325.db2.gz KQKZAAYZQUMERW-AWEZNQCLSA-N 0 3 414.497 2.951 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272375 1077788651 /nfs/dbraw/zinc/78/86/51/1077788651.db2.gz MPUYVUDKLKNXKM-AOMKIAJQSA-N 0 3 408.502 2.925 20 0 HFADHN COc1ccc(COC[C@H](O)CN2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792388314 1077831372 /nfs/dbraw/zinc/83/13/72/1077831372.db2.gz DBDZKJVQPTXUQD-QGZVFWFLSA-N 0 3 420.481 2.659 20 0 HFADHN CN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883564 1077834737 /nfs/dbraw/zinc/83/47/37/1077834737.db2.gz AFXJKRIWKZIRHT-VXKWHMMOSA-N 0 3 406.530 2.553 20 0 HFADHN O=C(Nc1ccc(Cl)nc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792398808 1077834853 /nfs/dbraw/zinc/83/48/53/1077834853.db2.gz QEFZHHBIADEWMO-UHFFFAOYSA-N 0 3 404.820 2.595 20 0 HFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nc(Br)cs1 ZINC000792424251 1077850823 /nfs/dbraw/zinc/85/08/23/1077850823.db2.gz MXJCDHWSNXVQQC-UONOGXRCSA-N 0 3 410.337 2.518 20 0 HFADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nc(Br)cs1 ZINC000792465155 1077859302 /nfs/dbraw/zinc/85/93/02/1077859302.db2.gz KKWPEMNAQQNHHD-KRWDZBQOSA-N 0 3 410.337 2.615 20 0 HFADHN CC[C@@H]1C[C@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227967 1077917813 /nfs/dbraw/zinc/91/78/13/1077917813.db2.gz RAUZTBHXOIVDEF-RTBURBONSA-N 0 3 403.548 2.889 20 0 HFADHN C[C@@H](c1ccsc1)N1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790081737 1077925494 /nfs/dbraw/zinc/92/54/94/1077925494.db2.gz KTIYWMHDSZPJCY-SFHVURJKSA-N 0 3 408.612 2.979 20 0 HFADHN CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)Cc1ccccc1 ZINC000790114249 1077942213 /nfs/dbraw/zinc/94/22/13/1077942213.db2.gz NXHHMTFOAZOESP-GOSISDBHSA-N 0 3 400.498 2.946 20 0 HFADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170384956 1077956792 /nfs/dbraw/zinc/95/67/92/1077956792.db2.gz DWFONVOMGISBAI-ZWKOTPCHSA-N 0 3 414.506 2.509 20 0 HFADHN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)C2=CCN(C)CC2)cn1 ZINC000790468688 1078038456 /nfs/dbraw/zinc/03/84/56/1078038456.db2.gz RUKQVRPMALDKRC-GCJKJVERSA-N 0 3 411.550 2.799 20 0 HFADHN O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1)OCc1ccccc1 ZINC000792984997 1078040898 /nfs/dbraw/zinc/04/08/98/1078040898.db2.gz MCPGOEWMJMCYQC-RBUKOAKNSA-N 0 3 400.523 2.571 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000806254096 1079522786 /nfs/dbraw/zinc/52/27/86/1079522786.db2.gz QYRUCZSTROFSBX-KURKYZTESA-N 0 3 407.580 2.543 20 0 HFADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747324658 1079592955 /nfs/dbraw/zinc/59/29/55/1079592955.db2.gz CTNUNOQEFICEAY-RTBURBONSA-N 0 3 402.926 2.664 20 0 HFADHN C[C@]1(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CCN(Cc2ccccc2)C1 ZINC001130609279 1079628242 /nfs/dbraw/zinc/62/82/42/1079628242.db2.gz DZGXAXCJPNVNKF-DEOSSOPVSA-N 0 3 405.498 2.730 20 0 HFADHN C[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613976 1079641675 /nfs/dbraw/zinc/64/16/75/1079641675.db2.gz NZMUACPKKBASQB-JTSKRJEESA-N 0 3 400.544 2.974 20 0 HFADHN CC[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)N1CCc2ccccc2C1 ZINC000806397782 1079685799 /nfs/dbraw/zinc/68/57/99/1079685799.db2.gz QHVSKWUWYRTQGL-WOJBJXKFSA-N 0 3 402.539 2.743 20 0 HFADHN CS[C@@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@@H]1N(C)C ZINC000772847544 1079781951 /nfs/dbraw/zinc/78/19/51/1079781951.db2.gz TXAMPWSCOADFMG-ZWKOTPCHSA-N 0 3 419.591 2.553 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2nc(Cc3ccccc3)no2)cc1 ZINC000806547045 1079785671 /nfs/dbraw/zinc/78/56/71/1079785671.db2.gz COUFKTITGVBAOX-LJQANCHMSA-N 0 3 409.490 2.771 20 0 HFADHN O=C(N1CC[C@@H]2NC(=O)CC[C@@H]2C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130690244 1079851413 /nfs/dbraw/zinc/85/14/13/1079851413.db2.gz KPXRPGILOAGOSC-FUHIMQAGSA-N 0 3 409.452 2.568 20 0 HFADHN C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nccn1-c1ccccc1 ZINC000806615689 1079856791 /nfs/dbraw/zinc/85/67/91/1079856791.db2.gz RSXMBAOHVZLHGN-ZDUSSCGKSA-N 0 3 402.442 2.837 20 0 HFADHN COc1ccc(OC)c2c1CN(C(=O)C(=O)NC1CC(C)(C)c3ccccc31)CC2O ZINC000806647872 1079903828 /nfs/dbraw/zinc/90/38/28/1079903828.db2.gz JUPDKZDGBOOUEF-ROUUACIJSA-N 0 3 424.497 2.618 20 0 HFADHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747344138 1079906972 /nfs/dbraw/zinc/90/69/72/1079906972.db2.gz UYKDSDBGTRLMFQ-IAGOWNOFSA-N 0 3 411.550 2.965 20 0 HFADHN CN(C)CCN1CCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1=O ZINC001130707556 1079927610 /nfs/dbraw/zinc/92/76/10/1079927610.db2.gz YJMFKLRSJFIXRF-NRFANRHFSA-N 0 3 415.534 2.892 20 0 HFADHN Cc1c(Cl)c(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)nn1C ZINC001130741652 1080004643 /nfs/dbraw/zinc/00/46/43/1080004643.db2.gz APZPWHQXRQWWQX-UHFFFAOYSA-N 0 3 405.930 2.651 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812427 1080025245 /nfs/dbraw/zinc/02/52/45/1080025245.db2.gz JOKPQXFBHMZZRE-PKOBYXMFSA-N 0 3 420.554 2.997 20 0 HFADHN CN1CCN(CCCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747359900 1080030543 /nfs/dbraw/zinc/03/05/43/1080030543.db2.gz WTXYJSPZRZUSQQ-UHFFFAOYSA-N 0 3 406.621 2.780 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)N1CCCCC1 ZINC000806857244 1080061863 /nfs/dbraw/zinc/06/18/63/1080061863.db2.gz OLYBHSAVLRYPJQ-ZDUSSCGKSA-N 0 3 419.323 2.926 20 0 HFADHN COc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)c(I)c1 ZINC001130798386 1080185513 /nfs/dbraw/zinc/18/55/13/1080185513.db2.gz BXIRUZHHDLAYES-MRXNPFEDSA-N 0 3 400.260 2.514 20 0 HFADHN CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2COC3(CCOCC3)O2)N(C)C)cc1 ZINC000807077494 1080258737 /nfs/dbraw/zinc/25/87/37/1080258737.db2.gz HVHSMLGLSGNEEK-RTWAWAEBSA-N 0 3 419.566 2.709 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](C)C1 ZINC000807088376 1080267234 /nfs/dbraw/zinc/26/72/34/1080267234.db2.gz AFTGEOKISSSQRK-LVCYWYKZSA-N 0 3 401.551 2.507 20 0 HFADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000807139614 1080299609 /nfs/dbraw/zinc/29/96/09/1080299609.db2.gz UMNGQOAVFSFKMU-HNJRGHQBSA-N 0 3 402.539 2.816 20 0 HFADHN CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000807149633 1080306858 /nfs/dbraw/zinc/30/68/58/1080306858.db2.gz FVHOGSOSOBWCJS-KXBFYZLASA-N 0 3 408.518 2.985 20 0 HFADHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000747381975 1080389964 /nfs/dbraw/zinc/38/99/64/1080389964.db2.gz YTTNSHJKRWXODG-SFHVURJKSA-N 0 3 417.579 2.502 20 0 HFADHN CN(C)CCN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CC1 ZINC000807267109 1080417549 /nfs/dbraw/zinc/41/75/49/1080417549.db2.gz PRTUXQZBPZKSHO-GOSISDBHSA-N 0 3 405.543 2.621 20 0 HFADHN COCC1(CNC(=O)N(CCN(C)C)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807267153 1080417959 /nfs/dbraw/zinc/41/79/59/1080417959.db2.gz RFXUAADMRNLUNP-UHFFFAOYSA-N 0 3 414.591 2.632 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3cccs3)cc2)CC1 ZINC000807277086 1080430171 /nfs/dbraw/zinc/43/01/71/1080430171.db2.gz MQBXKOCEEFQCGJ-UHFFFAOYSA-N 0 3 400.548 2.880 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3ncc(C)s3)cc2)CC1 ZINC000807276629 1080430925 /nfs/dbraw/zinc/43/09/25/1080430925.db2.gz YVHGWZSITSJMHN-UHFFFAOYSA-N 0 3 415.563 2.583 20 0 HFADHN CCOC(=O)C1=C(Nc2ccc(S(=O)(=O)c3ccccc3F)cc2)CCNC1 ZINC001170521509 1080465982 /nfs/dbraw/zinc/46/59/82/1080465982.db2.gz WLPCESUOKGMCQV-UHFFFAOYSA-N 0 3 404.463 2.881 20 0 HFADHN CNC(=O)Oc1cccc(OC(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130932629 1080578647 /nfs/dbraw/zinc/57/86/47/1080578647.db2.gz NMSALWBVWGYGET-RBUKOAKNSA-N 0 3 400.479 2.558 20 0 HFADHN CN1CCCN(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000807438895 1080659777 /nfs/dbraw/zinc/65/97/77/1080659777.db2.gz FXSQEVAVVXFLGU-LJQANCHMSA-N 0 3 402.539 2.868 20 0 HFADHN Cc1c(C(=O)N2CCS[C@@H]2C(F)(F)F)nnn1-c1cccc2c1CCN(C)C2 ZINC001130953094 1080661044 /nfs/dbraw/zinc/66/10/44/1080661044.db2.gz QOPDTAQSMRRPTB-QGZVFWFLSA-N 0 3 411.453 2.641 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)c1ccco1 ZINC000807441704 1080663361 /nfs/dbraw/zinc/66/33/61/1080663361.db2.gz NDIXLIHPQUGVSC-WNRNVDISSA-N 0 3 405.495 2.836 20 0 HFADHN C[C@@](O)(CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)c1ccccc1 ZINC000807504910 1080705331 /nfs/dbraw/zinc/70/53/31/1080705331.db2.gz TVKHXCKMZFYFGY-HSZRJFAPSA-N 0 3 415.578 2.563 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000807526272 1080778055 /nfs/dbraw/zinc/77/80/55/1080778055.db2.gz ZWLRBIYBSOFAPF-UHFFFAOYSA-N 0 3 402.539 2.771 20 0 HFADHN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390077 718826210 /nfs/dbraw/zinc/82/62/10/718826210.db2.gz LUBSQZKJQFKPPG-DOTOQJQBSA-N 0 3 410.852 2.918 20 0 HFADHN CN(Cc1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164683043 719599060 /nfs/dbraw/zinc/59/90/60/719599060.db2.gz DKWOFXQVLRJRNG-GOSISDBHSA-N 0 3 404.518 2.987 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164690300 719737003 /nfs/dbraw/zinc/73/70/03/719737003.db2.gz YWZSDVBEDKANCM-UHFFFAOYSA-N 0 3 422.577 2.801 20 0 HFADHN Clc1cc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)ccn1 ZINC001164743106 720653289 /nfs/dbraw/zinc/65/32/89/720653289.db2.gz OYNFMRNPNBNQPS-ZWKOTPCHSA-N 0 3 408.893 2.929 20 0 HFADHN C[C@@H]1CCc2c(sc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)C1 ZINC001164738519 720691904 /nfs/dbraw/zinc/69/19/04/720691904.db2.gz KJAOLLURKSPJHH-BZUAXINKSA-N 0 3 422.558 2.948 20 0 HFADHN c1ccc(COc2cccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164739892 720738825 /nfs/dbraw/zinc/73/88/25/720738825.db2.gz JIZBLHGHFYNIBJ-VQTJNVASSA-N 0 3 403.486 2.793 20 0 HFADHN CCc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164741131 720757841 /nfs/dbraw/zinc/75/78/41/720757841.db2.gz MIMZQBIWHCKFLQ-LSDHHAIUSA-N 0 3 422.558 2.874 20 0 HFADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745847 720774014 /nfs/dbraw/zinc/77/40/14/720774014.db2.gz WAQXGFHHKUTZCT-VQTJNVASSA-N 0 3 416.529 2.967 20 0 HFADHN Clc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164738573 720778047 /nfs/dbraw/zinc/77/80/47/720778047.db2.gz GBJOXYHMUSUGKY-IAGOWNOFSA-N 0 3 408.893 2.929 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869508 721050677 /nfs/dbraw/zinc/05/06/77/721050677.db2.gz TZZALWXPSYPRFP-NHCUHLMSSA-N 0 3 421.545 2.582 20 0 HFADHN COc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164865874 721060935 /nfs/dbraw/zinc/06/09/35/721060935.db2.gz BCWTZVORSFUOQS-ZWKOTPCHSA-N 0 3 421.501 2.522 20 0 HFADHN CCOC(=O)/C=C\c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865317 721112118 /nfs/dbraw/zinc/11/21/18/721112118.db2.gz JUWLWMSNFHZUPF-ZMEWGYROSA-N 0 3 408.502 2.533 20 0 HFADHN COC(=O)c1ccc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164871108 721135344 /nfs/dbraw/zinc/13/53/44/721135344.db2.gz DRHYUMSDOHWOBO-YADHBBJMSA-N 0 3 418.497 2.896 20 0 HFADHN COc1cc2nc(C)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164763405 721135815 /nfs/dbraw/zinc/13/58/15/721135815.db2.gz FMNWOEPCEPDTPA-ROUUACIJSA-N 0 3 422.533 2.647 20 0 HFADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164879817 721138257 /nfs/dbraw/zinc/13/82/57/721138257.db2.gz UHOBTLXOCTTXPL-PMACEKPBSA-N 0 3 402.502 2.722 20 0 HFADHN COc1cc2ccnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771802 721143722 /nfs/dbraw/zinc/14/37/22/721143722.db2.gz UFDXBPCRFDGVKM-MOPGFXCFSA-N 0 3 407.518 2.944 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(C)nc2c1 ZINC001164880455 721160556 /nfs/dbraw/zinc/16/05/56/721160556.db2.gz WTTDJFYPSNXOEF-ICSRJNTNSA-N 0 3 405.502 2.822 20 0 HFADHN COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1)C1CC1 ZINC001164762726 721190884 /nfs/dbraw/zinc/19/08/84/721190884.db2.gz DMZUGBLZUCURIP-FKBYEOEOSA-N 0 3 423.561 2.830 20 0 HFADHN COc1ccccc1-c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nn1 ZINC001164770790 721201040 /nfs/dbraw/zinc/20/10/40/721201040.db2.gz OKLJVQWPNYJFEH-OALUTQOASA-N 0 3 404.518 2.844 20 0 HFADHN Cc1nc(C)c(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)s1 ZINC001164761882 721228809 /nfs/dbraw/zinc/22/88/09/721228809.db2.gz JSAONBFECJYINF-MSOLQXFVSA-N 0 3 409.563 2.909 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164761903 721229648 /nfs/dbraw/zinc/22/96/48/721229648.db2.gz JZWGFWJBJBENGD-OALUTQOASA-N 0 3 414.517 2.507 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@H]3C2)cn1 ZINC001164761518 721244595 /nfs/dbraw/zinc/24/45/95/721244595.db2.gz JHOYFEMBFDCYFP-HZPDHXFCSA-N 0 3 405.481 2.942 20 0 HFADHN c1cncc(NCc2nnn3c2CN(c2ccc(CN4CCCC4)cn2)CCC3)c1 ZINC001164791695 721474971 /nfs/dbraw/zinc/47/49/71/721474971.db2.gz XQHWSDBVNJYNSV-UHFFFAOYSA-N 0 3 404.522 2.686 20 0 HFADHN CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164896624 721502659 /nfs/dbraw/zinc/50/26/59/721502659.db2.gz ITCNATOEUNUEMF-FQEVSTJZSA-N 0 3 400.567 2.825 20 0 HFADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc2c1 ZINC001164896990 721517712 /nfs/dbraw/zinc/51/77/12/721517712.db2.gz DESMKVDMIRQKIJ-UYAOXDASSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc2c1 ZINC001164896983 721517747 /nfs/dbraw/zinc/51/77/47/721517747.db2.gz DESMKVDMIRQKIJ-ICSRJNTNSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc2c1 ZINC001164896955 721517761 /nfs/dbraw/zinc/51/77/61/721517761.db2.gz DESMKVDMIRQKIJ-AZUAARDMSA-N 0 3 422.460 2.897 20 0 HFADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)c1 ZINC001164905860 721542563 /nfs/dbraw/zinc/54/25/63/721542563.db2.gz JHSDSLQICDTWEJ-PKOBYXMFSA-N 0 3 415.465 2.748 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164905300 721550820 /nfs/dbraw/zinc/55/08/20/721550820.db2.gz GMVZMRGVRRJRIM-HOCLYGCPSA-N 0 3 416.888 2.806 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164905298 721551156 /nfs/dbraw/zinc/55/11/56/721551156.db2.gz GMVZMRGVRRJRIM-GDBMZVCRSA-N 0 3 416.888 2.806 20 0 HFADHN C[C@@H]1CN(c2cc(CN(C)C)ccn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008903 721691673 /nfs/dbraw/zinc/69/16/73/721691673.db2.gz LRGXVWWPZVLEPJ-MONBJTKQSA-N 0 3 409.534 2.941 20 0 HFADHN C[C@@H]1CN(c2cc(CN(C)C)ccn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008899 721691778 /nfs/dbraw/zinc/69/17/78/721691778.db2.gz LRGXVWWPZVLEPJ-HCLVMJGWSA-N 0 3 409.534 2.941 20 0 HFADHN Cc1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164907097 721700483 /nfs/dbraw/zinc/70/04/83/721700483.db2.gz RNJUVBJZYZRKCB-FQEVSTJZSA-N 0 3 401.461 2.622 20 0 HFADHN O=C1COc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2N1 ZINC001164906527 721710094 /nfs/dbraw/zinc/71/00/94/721710094.db2.gz MMQFUVOUKSIOCH-FQEVSTJZSA-N 0 3 415.444 2.545 20 0 HFADHN Cc1cc(N2CCCC2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981585 722098992 /nfs/dbraw/zinc/09/89/92/722098992.db2.gz LTHSWMALDKLMKV-RTWAWAEBSA-N 0 3 408.550 2.508 20 0 HFADHN FC(F)(c1ccc(Cl)nn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980084 722105670 /nfs/dbraw/zinc/10/56/70/722105670.db2.gz JFAYCLFYZAIYGA-JKSUJKDBSA-N 0 3 409.868 2.797 20 0 HFADHN CCOC(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164981835 722108901 /nfs/dbraw/zinc/10/89/01/722108901.db2.gz VGFWTRAIIUSVPE-TZIWHRDSSA-N 0 3 410.518 2.689 20 0 HFADHN COc1nc(Cl)nc(C)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975794 722118163 /nfs/dbraw/zinc/11/81/63/722118163.db2.gz KYMMBIFXFWDEII-SJORKVTESA-N 0 3 403.914 2.569 20 0 HFADHN F[C@H](Oc1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979799 722118551 /nfs/dbraw/zinc/11/85/51/722118551.db2.gz QENMPUJEJRLNNT-QKLQHJQFSA-N 0 3 406.889 2.985 20 0 HFADHN F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979801 722118597 /nfs/dbraw/zinc/11/85/97/722118597.db2.gz QENMPUJEJRLNNT-UWVAXJGDSA-N 0 3 406.889 2.985 20 0 HFADHN CCOC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164972496 722122239 /nfs/dbraw/zinc/12/22/39/722122239.db2.gz FRYLJFQSSPPORB-TZIWHRDSSA-N 0 3 410.518 2.689 20 0 HFADHN COC(=O)c1ccc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974888 722123654 /nfs/dbraw/zinc/12/36/54/722123654.db2.gz ITWBOZIIDIIWSB-LPHOPBHVSA-N 0 3 416.909 2.644 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972702 722128926 /nfs/dbraw/zinc/12/89/26/722128926.db2.gz AIBJWLJPOQOBHQ-RTWAWAEBSA-N 0 3 408.550 2.589 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164980925 722131759 /nfs/dbraw/zinc/13/17/59/722131759.db2.gz NTRHIARKFIAGTM-NHCUHLMSSA-N 0 3 408.550 2.589 20 0 HFADHN COc1nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164985486 722139459 /nfs/dbraw/zinc/13/94/59/722139459.db2.gz ZQCJXSLUOZHTIM-NQIIRXRSSA-N 0 3 405.502 2.761 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984212 722147266 /nfs/dbraw/zinc/14/72/66/722147266.db2.gz WLDCBTKMNKCRPI-GGAORHGYSA-N 0 3 416.529 2.969 20 0 HFADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164989701 722187745 /nfs/dbraw/zinc/18/77/45/722187745.db2.gz JFSPVICKQMJPSC-FQEVSTJZSA-N 0 3 400.567 2.779 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000790537273 1078053341 /nfs/dbraw/zinc/05/33/41/1078053341.db2.gz CKHIPTAFUUSJDI-IBGZPJMESA-N 0 3 400.523 2.831 20 0 HFADHN COc1cnccc1N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000793054616 1078057499 /nfs/dbraw/zinc/05/74/99/1078057499.db2.gz MROGSDWRKUCXFR-LJQANCHMSA-N 0 3 409.534 2.899 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000790599054 1078063966 /nfs/dbraw/zinc/06/39/66/1078063966.db2.gz RMXUHPKRDBOWHE-ROUUACIJSA-N 0 3 403.523 2.946 20 0 HFADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)N(C)C ZINC000793059229 1078069240 /nfs/dbraw/zinc/06/92/40/1078069240.db2.gz WPUXJUFWRQQGKH-SUMWQHHRSA-N 0 3 419.323 2.899 20 0 HFADHN C[C@H]1OCC[C@]12CN(C(=S)NC1CCN(Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608672 1078074604 /nfs/dbraw/zinc/07/46/04/1078074604.db2.gz NPIUGJFCZPGARM-HMFYCAOWSA-N 0 3 403.592 2.794 20 0 HFADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768557 1078114249 /nfs/dbraw/zinc/11/42/49/1078114249.db2.gz VJVQFLURCSUTEN-GZMMTYOYSA-N 0 3 403.118 2.819 20 0 HFADHN Cc1cc(C)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1I ZINC000793290821 1078119523 /nfs/dbraw/zinc/11/95/23/1078119523.db2.gz IAFWZSJQCQRUDK-ZIAGYGMSSA-N 0 3 414.287 2.501 20 0 HFADHN NC(=O)COc1ccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000793294069 1078120485 /nfs/dbraw/zinc/12/04/85/1078120485.db2.gz DPILXYZBFRBZPX-FQEVSTJZSA-N 0 3 411.502 2.689 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC000793519558 1078198145 /nfs/dbraw/zinc/19/81/45/1078198145.db2.gz QUWBJOMBFLBYFH-OAQYLSRUSA-N 0 3 408.502 2.593 20 0 HFADHN CCN(CC)CC(=O)N1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793582095 1078214463 /nfs/dbraw/zinc/21/44/63/1078214463.db2.gz ZUSJYQNNRFLZJM-UHFFFAOYSA-N 0 3 403.958 2.571 20 0 HFADHN COC(=O)CCn1nc(C)c(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1C ZINC000793603603 1078222256 /nfs/dbraw/zinc/22/22/56/1078222256.db2.gz CIPWSJORAZMRCE-JOCHJYFZSA-N 0 3 420.554 2.896 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000793635953 1078236311 /nfs/dbraw/zinc/23/63/11/1078236311.db2.gz JFTBBPQCDMVNKB-AUSIDOKSSA-N 0 3 423.557 2.946 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000793715473 1078262055 /nfs/dbraw/zinc/26/20/55/1078262055.db2.gz YVFCIWVYLZOUGG-OAHLLOKOSA-N 0 3 411.468 2.844 20 0 HFADHN COc1cccc(-c2ccc(CNC(=O)C(=O)NC[C@H](C)N3CCCCC3)cc2)c1 ZINC000793716696 1078263590 /nfs/dbraw/zinc/26/35/90/1078263590.db2.gz KXTFZROIYIBETC-SFHVURJKSA-N 0 3 409.530 2.969 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1)N1CCCCC1 ZINC000793719400 1078264259 /nfs/dbraw/zinc/26/42/59/1078264259.db2.gz DRRVYUFFHOODOB-GOSISDBHSA-N 0 3 401.551 2.554 20 0 HFADHN C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793700935 1078273789 /nfs/dbraw/zinc/27/37/89/1078273789.db2.gz NBFJMPCJXDOYLY-HZPDHXFCSA-N 0 3 424.383 2.877 20 0 HFADHN C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793700930 1078273807 /nfs/dbraw/zinc/27/38/07/1078273807.db2.gz NBFJMPCJXDOYLY-CVEARBPZSA-N 0 3 424.383 2.877 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)N1CCCCC1 ZINC000793706359 1078276195 /nfs/dbraw/zinc/27/61/95/1078276195.db2.gz CABCOOVTJNZSPM-GJZGRUSLSA-N 0 3 415.456 2.796 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)N1CCCCC1 ZINC000793706630 1078277000 /nfs/dbraw/zinc/27/70/00/1078277000.db2.gz CYMRJERCFLIRLL-INIZCTEOSA-N 0 3 414.481 2.620 20 0 HFADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)NCC1CCCCCCC1 ZINC000793754357 1078277850 /nfs/dbraw/zinc/27/78/50/1078277850.db2.gz MCIJVAJPYJNASY-QFIPXVFZSA-N 0 3 415.578 2.870 20 0 HFADHN CSC[C@H]1CCCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301289 /nfs/dbraw/zinc/30/12/89/1078301289.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 0 3 416.591 2.606 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)c2ccc(C)s2)c1 ZINC000793869421 1078328778 /nfs/dbraw/zinc/32/87/78/1078328778.db2.gz UPBLKZJAWKQLFE-INIZCTEOSA-N 0 3 403.548 2.833 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793950642 1078344823 /nfs/dbraw/zinc/34/48/23/1078344823.db2.gz OZKFEACYBWWTHJ-IEBWSBKVSA-N 0 3 409.615 2.961 20 0 HFADHN Cn1ccnc1[C@](O)(CCNC(=O)c1cccc(CN2CCCC2)c1)C(F)(F)F ZINC000747162685 1078355274 /nfs/dbraw/zinc/35/52/74/1078355274.db2.gz HSGSHYGQRRSUPM-LJQANCHMSA-N 0 3 410.440 2.586 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N(Cc1nn(C)c2c1CCNC2)c1ncccn1 ZINC001170446251 1078423418 /nfs/dbraw/zinc/42/34/18/1078423418.db2.gz ZHUAAGBWCLPADG-QGZVFWFLSA-N 0 3 420.517 2.612 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000794339817 1078419500 /nfs/dbraw/zinc/41/95/00/1078419500.db2.gz RNPRBMNGGHPSFZ-UHFFFAOYSA-N 0 3 401.898 2.701 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000794339465 1078419755 /nfs/dbraw/zinc/41/97/55/1078419755.db2.gz NWTMBKIEMRYPPY-QGZVFWFLSA-N 0 3 404.511 2.528 20 0 HFADHN COc1ccc(Cn2ncc3cc(C(=O)N(C)C[C@@H]4CCCN4C)cnc32)c(OC)c1 ZINC001129905218 1078577148 /nfs/dbraw/zinc/57/71/48/1078577148.db2.gz KHNNZCCEJZYYOX-IBGZPJMESA-N 0 3 423.517 2.663 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000804565886 1078601718 /nfs/dbraw/zinc/60/17/18/1078601718.db2.gz HMXOORPQTOBUDR-UHFFFAOYSA-N 0 3 421.563 2.578 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000804567495 1078601880 /nfs/dbraw/zinc/60/18/80/1078601880.db2.gz RVOKEIZAAPMQKH-UHFFFAOYSA-N 0 3 415.987 2.928 20 0 HFADHN CCOC(=O)c1ncc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)s1 ZINC001129971071 1078664587 /nfs/dbraw/zinc/66/45/87/1078664587.db2.gz SCTDKDYEVPJNJO-IAGOWNOFSA-N 0 3 417.531 2.587 20 0 HFADHN COC(=O)c1cnc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804625837 1078678554 /nfs/dbraw/zinc/67/85/54/1078678554.db2.gz GLCBRBAPZNEVNT-HXUWFJFHSA-N 0 3 423.435 2.960 20 0 HFADHN CCN1CCN([C@H](C)CNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747224031 1078735764 /nfs/dbraw/zinc/73/57/64/1078735764.db2.gz ODGAFLTUDGKBOA-MRXNPFEDSA-N 0 3 406.621 2.778 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000804904053 1078759716 /nfs/dbraw/zinc/75/97/16/1078759716.db2.gz UHPZRSSKBQHDTL-VQIMIIECSA-N 0 3 413.440 2.961 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000805070264 1078879519 /nfs/dbraw/zinc/87/95/19/1078879519.db2.gz IPPVKOQWLWFCCE-CRAIPNDOSA-N 0 3 401.429 2.735 20 0 HFADHN O=C(CCOc1ccc(Cl)cc1Br)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747229537 1078938199 /nfs/dbraw/zinc/93/81/99/1078938199.db2.gz KCCMKQCHMGOBDO-ZIAGYGMSSA-N 0 3 417.731 2.851 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)cc1Cl ZINC000805181222 1078965259 /nfs/dbraw/zinc/96/52/59/1078965259.db2.gz SMNVYHWVHZVOEQ-GOSISDBHSA-N 0 3 422.017 2.618 20 0 HFADHN COCCN1CCC(NC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805185100 1078965668 /nfs/dbraw/zinc/96/56/68/1078965668.db2.gz SAIOZMOUGZRYJQ-QFIPXVFZSA-N 0 3 424.586 2.530 20 0 HFADHN CC(C)CN1N=C(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CCC1=O ZINC000805276514 1079005650 /nfs/dbraw/zinc/00/56/50/1079005650.db2.gz GURBHQDRHNGIJA-HXUWFJFHSA-N 0 3 402.539 2.827 20 0 HFADHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805801508 1079280523 /nfs/dbraw/zinc/28/05/23/1079280523.db2.gz ZXOBPKJUOCFBKU-IRXDYDNUSA-N 0 3 412.575 2.527 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c(Cl)cc1Cl ZINC000747273349 1079303897 /nfs/dbraw/zinc/30/38/97/1079303897.db2.gz MEPNUBIRHVGWRD-NSHDSACASA-N 0 3 409.335 2.742 20 0 HFADHN COc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519869 1079451515 /nfs/dbraw/zinc/45/15/15/1079451515.db2.gz YLAMMFPOTUSLGT-SJORKVTESA-N 0 3 423.579 2.519 20 0 HFADHN CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001130529663 1079465835 /nfs/dbraw/zinc/46/58/35/1079465835.db2.gz XIVSETQPSDXLFR-PMACEKPBSA-N 0 3 402.535 2.858 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1 ZINC000806155038 1079470027 /nfs/dbraw/zinc/47/00/27/1079470027.db2.gz LUWVCCCJCXBXRZ-CRAIPNDOSA-N 0 3 414.472 2.853 20 0 HFADHN Cc1cccc(F)c1CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806204174 1079490570 /nfs/dbraw/zinc/49/05/70/1079490570.db2.gz CXPPZYCJHZNUID-UHFFFAOYSA-N 0 3 407.555 2.618 20 0 HFADHN C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(C)(C)C1 ZINC000746676125 1076749503 /nfs/dbraw/zinc/74/95/03/1076749503.db2.gz SNXMDFFUZMWHIM-INIZCTEOSA-N 0 3 420.579 2.996 20 0 HFADHN C[C@@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000787312321 1076758370 /nfs/dbraw/zinc/75/83/70/1076758370.db2.gz LMSTXIVBJQZTJG-GOSISDBHSA-N 0 3 414.550 2.985 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787323189 1076766975 /nfs/dbraw/zinc/76/69/75/1076766975.db2.gz ARYNJTNROFFFOW-AOIWGVFYSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)N1CCCCC1 ZINC000787471695 1076835019 /nfs/dbraw/zinc/83/50/19/1076835019.db2.gz VVTODVOVSLXUPX-GFCCVEGCSA-N 0 3 409.943 2.731 20 0 HFADHN CC(C)[C@@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000772708088 1076956163 /nfs/dbraw/zinc/95/61/63/1076956163.db2.gz CENVWNKDAUQZPS-HXUWFJFHSA-N 0 3 402.535 2.715 20 0 HFADHN Cc1cc(N2CC[C@H](OC(=O)C3(C)CCN(Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000772707929 1076963470 /nfs/dbraw/zinc/96/34/70/1076963470.db2.gz AIQNELDHSYEZCL-IBGZPJMESA-N 0 3 410.518 2.679 20 0 HFADHN COc1cc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccc1OC(C)C ZINC000787869297 1076966647 /nfs/dbraw/zinc/96/66/47/1076966647.db2.gz BAQARPIWJKNDDH-IAGOWNOFSA-N 0 3 405.539 2.650 20 0 HFADHN COc1ccc(OC)c2c1CN(C[C@H]1CN(Cc3ccccc3)CCCO1)C[C@H]2O ZINC000788011479 1077027814 /nfs/dbraw/zinc/02/78/14/1077027814.db2.gz JSYXXIGZMYWWKM-TZIWHRDSSA-N 0 3 412.530 2.844 20 0 HFADHN CN1CC[C@@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000788288190 1077098903 /nfs/dbraw/zinc/09/89/03/1077098903.db2.gz ZDXVQFGXXWZZJN-UXHICEINSA-N 0 3 417.531 2.677 20 0 HFADHN O=c1c(Br)nn(CN2CC[C@@H](Oc3ccncc3)C2)c2ccccc12 ZINC000788380324 1077136143 /nfs/dbraw/zinc/13/61/43/1077136143.db2.gz FRPZVZYBNSRZOD-CQSZACIVSA-N 0 3 401.264 2.665 20 0 HFADHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436892 1077146158 /nfs/dbraw/zinc/14/61/58/1077146158.db2.gz OPPQZVSWYDFAQO-HZPDHXFCSA-N 0 3 400.527 2.904 20 0 HFADHN COc1ccc([C@H](CNc2ccnc(C(=O)N3CCCCC3)c2)N(C)C)cc1OC ZINC000788450785 1077163522 /nfs/dbraw/zinc/16/35/22/1077163522.db2.gz YUEHAGTYLQAHQR-FQEVSTJZSA-N 0 3 412.534 2.862 20 0 HFADHN CC(C)(C)OC(=O)N1CCN(CCCN[C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000788562553 1077201823 /nfs/dbraw/zinc/20/18/23/1077201823.db2.gz KWRISEMYZICKBE-IBGZPJMESA-N 0 3 418.517 2.566 20 0 HFADHN CCN(CCC[NH+](CC)CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000788535799 1077205409 /nfs/dbraw/zinc/20/54/09/1077205409.db2.gz GBTQGCWKEVJZQJ-UHFFFAOYSA-N 0 3 401.548 2.706 20 0 HFADHN C[C@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000772722214 1077211468 /nfs/dbraw/zinc/21/14/68/1077211468.db2.gz LENYJFLDZBXOHC-HNNXBMFYSA-N 0 3 422.489 2.525 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c(C)c1Cl ZINC000788653186 1077227207 /nfs/dbraw/zinc/22/72/07/1077227207.db2.gz QHEGBIXOPHOVIF-RYUDHWBXSA-N 0 3 406.957 2.601 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)=NO1 ZINC000788621919 1077232180 /nfs/dbraw/zinc/23/21/80/1077232180.db2.gz ZBVNHVVQCGNTOI-IEBWSBKVSA-N 0 3 416.522 2.609 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000788632368 1077237252 /nfs/dbraw/zinc/23/72/52/1077237252.db2.gz WJNHNTBRVIXBAZ-KRWDZBQOSA-N 0 3 402.438 2.779 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641152 1077243444 /nfs/dbraw/zinc/24/34/44/1077243444.db2.gz VMZZGLVTYTTWQW-OALUTQOASA-N 0 3 414.506 2.903 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000788675334 1077245680 /nfs/dbraw/zinc/24/56/80/1077245680.db2.gz DXOPJVNWMCIGHV-QGZVFWFLSA-N 0 3 411.568 2.816 20 0 HFADHN CCN(CCCN1CCCC1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788678445 1077247029 /nfs/dbraw/zinc/24/70/29/1077247029.db2.gz PALGDDVHIJSMFD-UHFFFAOYSA-N 0 3 408.973 2.993 20 0 HFADHN CCOC(=O)C1([C@H](C)N[C@H](C)c2n[nH]c(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691160 1077252079 /nfs/dbraw/zinc/25/20/79/1077252079.db2.gz XWFSVIAMMAVFDV-CABCVRRESA-N 0 3 423.558 2.987 20 0 HFADHN COC(=O)CS(=O)(=O)Cc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000788667645 1077260731 /nfs/dbraw/zinc/26/07/31/1077260731.db2.gz GZFBSHFRJPVEEZ-HXUWFJFHSA-N 0 3 403.500 2.647 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@H](C)[C@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670287 1077261519 /nfs/dbraw/zinc/26/15/19/1077261519.db2.gz IOUXWLSDMKTDFW-OWYHZJEWSA-N 0 3 406.523 2.509 20 0 HFADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1N1CCSCC1 ZINC000790975594 1077268152 /nfs/dbraw/zinc/26/81/52/1077268152.db2.gz RDZYOLAJUIXOCD-IBGZPJMESA-N 0 3 418.607 2.723 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788764068 1077280646 /nfs/dbraw/zinc/28/06/46/1077280646.db2.gz BFHUVSOPDPXYDN-SFHVURJKSA-N 0 3 405.514 2.973 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCC[C@](C)(O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788768343 1077282242 /nfs/dbraw/zinc/28/22/42/1077282242.db2.gz ZJRLSALKQBEKAA-FGSXEWAUSA-N 0 3 406.523 2.815 20 0 HFADHN C[C@@H](NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820282 1077308258 /nfs/dbraw/zinc/30/82/58/1077308258.db2.gz UIGQIMWLSUJVOM-HIFRSBDPSA-N 0 3 418.460 2.921 20 0 HFADHN COc1ccc2nc(CNCC[C@](O)(c3nccn3C)C(F)(F)F)sc2c1 ZINC000788967445 1077366017 /nfs/dbraw/zinc/36/60/17/1077366017.db2.gz PNJFPMSMWXTAHX-INIZCTEOSA-N 0 3 400.426 2.968 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 ZINC000791342010 1077379871 /nfs/dbraw/zinc/37/98/71/1077379871.db2.gz BWCDUPUUXORHRN-UHFFFAOYSA-N 0 3 408.502 2.768 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1CCCCC1 ZINC000746786430 1077398288 /nfs/dbraw/zinc/39/82/88/1077398288.db2.gz HHFBKXBQHHLCNO-CYBMUJFWSA-N 0 3 415.469 2.682 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cc(CN(C)C)ccc3OC)C2)c1 ZINC000791508234 1077448052 /nfs/dbraw/zinc/44/80/52/1077448052.db2.gz ORJNPVXEEGVJIE-NRFANRHFSA-N 0 3 413.474 2.906 20 0 HFADHN CSc1ccccc1CN(C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000791599383 1077498036 /nfs/dbraw/zinc/49/80/36/1077498036.db2.gz QZHUZZISCNINBI-UHFFFAOYSA-N 0 3 404.536 2.516 20 0 HFADHN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000791646402 1077509155 /nfs/dbraw/zinc/50/91/55/1077509155.db2.gz ACZRBUGDKPKDSC-UHFFFAOYSA-N 0 3 411.506 2.940 20 0 HFADHN COc1nc(Br)ccc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000789384886 1077531268 /nfs/dbraw/zinc/53/12/68/1077531268.db2.gz QZRZFLCANCBJOR-UHFFFAOYSA-N 0 3 415.332 2.864 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000789377534 1077546201 /nfs/dbraw/zinc/54/62/01/1077546201.db2.gz KGNGCELRAYJTTP-UHFFFAOYSA-N 0 3 400.548 2.593 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454672 1077580744 /nfs/dbraw/zinc/58/07/44/1077580744.db2.gz DJYRUDUPVZGQCM-XMMPIXPASA-N 0 3 424.589 2.957 20 0 HFADHN O=C(CN1CCc2ccccc2C1=O)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000789461708 1077583476 /nfs/dbraw/zinc/58/34/76/1077583476.db2.gz DUKYIZNUNRUCLU-QFIPXVFZSA-N 0 3 404.510 2.991 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC000791884798 1077585984 /nfs/dbraw/zinc/58/59/84/1077585984.db2.gz QQWHDQOTMMNYMX-UHFFFAOYSA-N 0 3 423.920 2.941 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1cccc2cnccc21 ZINC000791886333 1077586369 /nfs/dbraw/zinc/58/63/69/1077586369.db2.gz ZJFDZQASHSGCKC-UHFFFAOYSA-N 0 3 422.533 2.697 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000791975537 1077617283 /nfs/dbraw/zinc/61/72/83/1077617283.db2.gz ZIBOXOJKYYPODZ-VKRLORBYSA-N 0 3 409.530 2.695 20 0 HFADHN Cc1ccnc(CN2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792207618 1077746240 /nfs/dbraw/zinc/74/62/40/1077746240.db2.gz DDSOGDYIYMKLIR-GOSISDBHSA-N 0 3 402.539 2.681 20 0 HFADHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1nc(Br)ccc1F ZINC000792209273 1077765440 /nfs/dbraw/zinc/76/54/40/1077765440.db2.gz NHRLFHFDLYGXOL-UHFFFAOYSA-N 0 3 422.298 2.870 20 0 HFADHN CC[C@@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1C ZINC000792282880 1077774211 /nfs/dbraw/zinc/77/42/11/1077774211.db2.gz XXVUTCZOYJJPHI-MRXNPFEDSA-N 0 3 412.538 2.882 20 0 HFADHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120231 1077800303 /nfs/dbraw/zinc/80/03/03/1077800303.db2.gz ZMHKZKKDGKNKLQ-QZTJIDSGSA-N 0 3 413.609 2.919 20 0 HFADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332258 1077822442 /nfs/dbraw/zinc/82/24/42/1077822442.db2.gz UQXGFBDDHOMGGI-MRXNPFEDSA-N 0 3 410.559 2.722 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000792399594 1077835331 /nfs/dbraw/zinc/83/53/31/1077835331.db2.gz GRWFDGFEOAHOTG-UHFFFAOYSA-N 0 3 424.423 2.638 20 0 HFADHN Nn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1[C@H]1CCCCO1 ZINC000789921551 1077848236 /nfs/dbraw/zinc/84/82/36/1077848236.db2.gz LNKRAWOAISVJDU-QZTJIDSGSA-N 0 3 403.552 2.617 20 0 HFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nc(Br)cs1 ZINC000792424248 1077850847 /nfs/dbraw/zinc/85/08/47/1077850847.db2.gz MXJCDHWSNXVQQC-KGLIPLIRSA-N 0 3 410.337 2.518 20 0 HFADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nc(Br)cs1 ZINC000792465156 1077859244 /nfs/dbraw/zinc/85/92/44/1077859244.db2.gz KKWPEMNAQQNHHD-QGZVFWFLSA-N 0 3 410.337 2.615 20 0 HFADHN CN(C(=O)c1ccc(NC(=O)c2ccn(CC(F)F)n2)cc1)[C@@H]1CCCN(C)C1 ZINC000789961986 1077871823 /nfs/dbraw/zinc/87/18/23/1077871823.db2.gz QXKISEGEJBHHCB-MRXNPFEDSA-N 0 3 405.449 2.567 20 0 HFADHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790038478 1077907302 /nfs/dbraw/zinc/90/73/02/1077907302.db2.gz IXRIXASRVFQFBU-DOTOQJQBSA-N 0 3 411.568 2.672 20 0 HFADHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790041307 1077908286 /nfs/dbraw/zinc/90/82/86/1077908286.db2.gz LNJFXFQTEZAIMA-RDJZCZTQSA-N 0 3 411.568 2.815 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc(F)ccc1Br ZINC000790041689 1077908331 /nfs/dbraw/zinc/90/83/31/1077908331.db2.gz SRSQZVXBRLDEQI-UHFFFAOYSA-N 0 3 420.304 2.731 20 0 HFADHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000790010206 1077911491 /nfs/dbraw/zinc/91/14/91/1077911491.db2.gz JZNSWVGRTDFHSM-INIZCTEOSA-N 0 3 401.532 2.915 20 0 HFADHN CCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000790014393 1077913383 /nfs/dbraw/zinc/91/33/83/1077913383.db2.gz GFVFNQCPVVNWPS-LJQANCHMSA-N 0 3 409.596 2.845 20 0 HFADHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790020836 1077916823 /nfs/dbraw/zinc/91/68/23/1077916823.db2.gz NCWZJZDGLGCDQY-QGZVFWFLSA-N 0 3 413.584 2.966 20 0 HFADHN C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790027940 1077919214 /nfs/dbraw/zinc/91/92/14/1077919214.db2.gz WHLUGQTZXATBFO-CRAIPNDOSA-N 0 3 411.568 2.672 20 0 HFADHN COc1ncc(NCC2CN(C)C2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c21 ZINC001170256772 1077919557 /nfs/dbraw/zinc/91/95/57/1077919557.db2.gz WCQMABYWVMEELE-UHFFFAOYSA-N 0 3 400.504 2.564 20 0 HFADHN CC(C)(C)OC(=O)NCc1nc(CN2CCN(c3ccnc4ccccc43)CC2)no1 ZINC001170127145 1077926800 /nfs/dbraw/zinc/92/68/00/1077926800.db2.gz CPVSXSZHZAHJBS-UHFFFAOYSA-N 0 3 424.505 2.965 20 0 HFADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000790050056 1077930531 /nfs/dbraw/zinc/93/05/31/1077930531.db2.gz XDPREGDYUVSXQT-RDJZCZTQSA-N 0 3 411.568 2.672 20 0 HFADHN CC(C)(C)N1CCCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790054521 1077933136 /nfs/dbraw/zinc/93/31/36/1077933136.db2.gz SMITXEIPNZNUNS-UHFFFAOYSA-N 0 3 414.594 2.668 20 0 HFADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001170315744 1077941485 /nfs/dbraw/zinc/94/14/85/1077941485.db2.gz QFHZWKOHQCEPGS-INIZCTEOSA-N 0 3 423.504 2.909 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC001170384477 1077956631 /nfs/dbraw/zinc/95/66/31/1077956631.db2.gz BYUSUCKVTAEFFG-BEVDRBHNSA-N 0 3 420.579 2.887 20 0 HFADHN COC(=O)c1c(C)c(NC(=S)NC2CCN(C)CC2)ccc1Br ZINC000792690379 1077976234 /nfs/dbraw/zinc/97/62/34/1077976234.db2.gz CAHLSGIVQUNQHJ-UHFFFAOYSA-N 0 3 400.342 2.925 20 0 HFADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2CC(C)(C)C)C1=O ZINC000747087327 1078005329 /nfs/dbraw/zinc/00/53/29/1078005329.db2.gz RNMOZUJUSQKKRE-VGOFRKELSA-N 0 3 400.523 2.776 20 0 HFADHN Cc1nc2ccccc2n1C[C@H]1CCCN1CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790364624 1078014656 /nfs/dbraw/zinc/01/46/56/1078014656.db2.gz AQYMGBDZKNCSIS-XXBNENTESA-N 0 3 409.534 2.683 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000792880772 1078016552 /nfs/dbraw/zinc/01/65/52/1078016552.db2.gz VAXSYZZMXJHAKA-RTWAWAEBSA-N 0 3 419.566 2.503 20 0 HFADHN C[C@@H]1CC[C@H](N2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135115 1078021854 /nfs/dbraw/zinc/02/18/54/1078021854.db2.gz GLGGZWOAVLKXDT-VKSUQKOCSA-N 0 3 404.580 2.598 20 0 HFADHN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000792930836 1078028139 /nfs/dbraw/zinc/02/81/39/1078028139.db2.gz KXZAFTNQINQDQA-UHFFFAOYSA-N 0 3 411.506 2.592 20 0 HFADHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000792947754 1078032311 /nfs/dbraw/zinc/03/23/11/1078032311.db2.gz OJWXANKSFLFXLJ-OAHLLOKOSA-N 0 3 419.323 2.982 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1C1CC1 ZINC000792988555 1078041631 /nfs/dbraw/zinc/04/16/31/1078041631.db2.gz FCIDNFLJCSEHFM-YZGWKJHDSA-N 0 3 414.550 2.960 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000806254294 1079523864 /nfs/dbraw/zinc/52/38/64/1079523864.db2.gz UGPWKBULNMZLQJ-OAHLLOKOSA-N 0 3 414.319 2.585 20 0 HFADHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c12 ZINC000747325400 1079601243 /nfs/dbraw/zinc/60/12/43/1079601243.db2.gz IRELCGOMKNDRIR-ZWKOTPCHSA-N 0 3 405.502 2.537 20 0 HFADHN CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)N(C)C)cc1 ZINC000806382662 1079632382 /nfs/dbraw/zinc/63/23/82/1079632382.db2.gz QXOFVQCZDCJWQK-FQEVSTJZSA-N 0 3 423.521 2.552 20 0 HFADHN C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613978 1079641641 /nfs/dbraw/zinc/64/16/41/1079641641.db2.gz NZMUACPKKBASQB-VGSWGCGISA-N 0 3 400.544 2.974 20 0 HFADHN COC(=O)C1CCN(CCCNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806465159 1079736224 /nfs/dbraw/zinc/73/62/24/1079736224.db2.gz SWODLHJVGWSYEV-NRFANRHFSA-N 0 3 421.925 2.614 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2cccnc2-n2ccnc2C)cc1 ZINC000806506524 1079757888 /nfs/dbraw/zinc/75/78/88/1079757888.db2.gz XHOSJVMGQZCMBB-HXUWFJFHSA-N 0 3 408.506 2.686 20 0 HFADHN CC(C)Cc1ccc([C@H](CNC(=S)NCCCN2CCOCC2)N(C)C)cc1 ZINC000806603093 1079844762 /nfs/dbraw/zinc/84/47/62/1079844762.db2.gz GKKUBWPMOPVDTA-NRFANRHFSA-N 0 3 406.640 2.674 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000747341997 1079873743 /nfs/dbraw/zinc/87/37/43/1079873743.db2.gz JIVMWTSEYNLECZ-MQSCRBSSSA-N 0 3 404.514 2.973 20 0 HFADHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747341881 1079875159 /nfs/dbraw/zinc/87/51/59/1079875159.db2.gz INNACQQYFUUEQX-SJORKVTESA-N 0 3 406.889 2.625 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738411 1079930172 /nfs/dbraw/zinc/93/01/72/1079930172.db2.gz CZDCRETXIUQSBA-VBQJREDUSA-N 0 3 402.322 2.579 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724618 1079948115 /nfs/dbraw/zinc/94/81/15/1079948115.db2.gz YTJPFKZFDVLQQR-QRWLVFNGSA-N 0 3 410.518 2.877 20 0 HFADHN COCCN1CCC[C@H]1CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806778805 1080004509 /nfs/dbraw/zinc/00/45/09/1080004509.db2.gz AAVXJJHXGZHGBI-PMACEKPBSA-N 0 3 424.586 2.720 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862861 1080065679 /nfs/dbraw/zinc/06/56/79/1080065679.db2.gz REUOCBKDNCNKRW-RTWAWAEBSA-N 0 3 410.518 2.711 20 0 HFADHN C[C@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)CN1CCN(C)CC1 ZINC000806865121 1080066733 /nfs/dbraw/zinc/06/67/33/1080066733.db2.gz PRGUFJSAOCQJCE-QPPBQGQZSA-N 0 3 424.589 2.815 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000806890972 1080098873 /nfs/dbraw/zinc/09/88/73/1080098873.db2.gz GDNBCROSVZQKFM-KRWDZBQOSA-N 0 3 408.543 2.900 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037790 1080227504 /nfs/dbraw/zinc/22/75/04/1080227504.db2.gz CBQXMWLFCKCCGR-VXKWHMMOSA-N 0 3 424.545 2.788 20 0 HFADHN C[C@H]1[C@@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000807038475 1080229065 /nfs/dbraw/zinc/22/90/65/1080229065.db2.gz HRKKUAQUVHTDHP-LPHOPBHVSA-N 0 3 402.539 2.816 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000807119233 1080294826 /nfs/dbraw/zinc/29/48/26/1080294826.db2.gz OYJIGHKXCWCHEL-OAQYLSRUSA-N 0 3 407.558 2.541 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000807123167 1080296228 /nfs/dbraw/zinc/29/62/28/1080296228.db2.gz GEGZJEYHCLSVPQ-SWCONJRYSA-N 0 3 412.534 2.823 20 0 HFADHN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2C1 ZINC000807154879 1080311285 /nfs/dbraw/zinc/31/12/85/1080311285.db2.gz PIZJJLOQVIZZEH-UHFFFAOYSA-N 0 3 400.523 2.927 20 0 HFADHN CN(C)C[C@@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000807212424 1080362500 /nfs/dbraw/zinc/36/25/00/1080362500.db2.gz CEBCTXQBDFCJKL-XEGHISHKSA-N 0 3 412.509 2.947 20 0 HFADHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895655 1080432507 /nfs/dbraw/zinc/43/25/07/1080432507.db2.gz UADJQUNRIVEBRJ-STQMWFEESA-N 0 3 420.000 2.544 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c([C@H](C)O)c3)cc2)CC1 ZINC000807398312 1080563730 /nfs/dbraw/zinc/56/37/30/1080563730.db2.gz PMDAMFYCVSHAMI-HNNXBMFYSA-N 0 3 414.481 2.598 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441115 1080661862 /nfs/dbraw/zinc/66/18/62/1080661862.db2.gz AGJJHTUNYIOYPT-AHIWAGSCSA-N 0 3 405.417 2.846 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441945 1080663435 /nfs/dbraw/zinc/66/34/35/1080663435.db2.gz SBDLDYKHXIZWPK-FAJBIJEISA-N 0 3 403.527 2.598 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443537 1080664696 /nfs/dbraw/zinc/66/46/96/1080664696.db2.gz NIVOOHLCDDADPU-WDYCEAGBSA-N 0 3 403.527 2.598 20 0 HFADHN COc1ccc(C[C@@](C)(CO)NCc2ccc(Br)nc2N)cc1OC ZINC001473839849 1126200002 /nfs/dbraw/zinc/20/00/02/1126200002.db2.gz KZPIHFJMDDPCOC-SFHVURJKSA-N 0 3 410.312 2.527 20 0 HFADHN Cn1cc(-c2cc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)on2)cn1 ZINC001559998310 1126207449 /nfs/dbraw/zinc/20/74/49/1126207449.db2.gz ZUDYNBLQJNFLKJ-LJQANCHMSA-N 0 3 417.307 2.847 20 0 HFADHN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164392236 718826169 /nfs/dbraw/zinc/82/61/69/718826169.db2.gz ZNDXVEUBIQTPIO-RDJZCZTQSA-N 0 3 410.852 2.918 20 0 HFADHN COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390080 718826249 /nfs/dbraw/zinc/82/62/49/718826249.db2.gz LUBSQZKJQFKPPG-WBVHZDCISA-N 0 3 410.852 2.918 20 0 HFADHN CCOC(=O)C1CCN(C2CCN([C@H](F)Oc3cncc(Cl)n3)CC2)CC1 ZINC001164617637 719034461 /nfs/dbraw/zinc/03/44/61/719034461.db2.gz OKKKTGUDLATRAD-SFHVURJKSA-N 0 3 400.882 2.501 20 0 HFADHN Cn1ncc2c1CN(c1ccc(CN3CCCC3)cn1)C[C@H]2COc1cccnc1 ZINC001164683709 719598924 /nfs/dbraw/zinc/59/89/24/719598924.db2.gz ICVIRWPGGOLGCV-IBGZPJMESA-N 0 3 404.518 2.989 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164687371 719731587 /nfs/dbraw/zinc/73/15/87/719731587.db2.gz WLUUUOCKHXGSTH-UHFFFAOYSA-N 0 3 413.953 2.902 20 0 HFADHN c1cc2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729889 720348191 /nfs/dbraw/zinc/34/81/91/720348191.db2.gz YTUBGJSIXNZSMY-RTBURBONSA-N 0 3 422.558 2.776 20 0 HFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164730257 720428411 /nfs/dbraw/zinc/42/84/11/720428411.db2.gz IXZSLOMQHJWTHF-LSDHHAIUSA-N 0 3 412.881 2.646 20 0 HFADHN Clc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740190 720637291 /nfs/dbraw/zinc/63/72/91/720637291.db2.gz HQGDOPTVWMOYAA-MSOLQXFVSA-N 0 3 408.893 2.929 20 0 HFADHN Clc1cc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)ccn1 ZINC001164743103 720655607 /nfs/dbraw/zinc/65/56/07/720655607.db2.gz OYNFMRNPNBNQPS-MSOLQXFVSA-N 0 3 408.893 2.929 20 0 HFADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741489 720749626 /nfs/dbraw/zinc/74/96/26/720749626.db2.gz MRVWXMIDTUCESH-HUUCEWRRSA-N 0 3 413.913 2.798 20 0 HFADHN CCc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164741129 720759001 /nfs/dbraw/zinc/75/90/01/720759001.db2.gz MIMZQBIWHCKFLQ-HUUCEWRRSA-N 0 3 422.558 2.874 20 0 HFADHN Cc1ccc(C)c(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164741145 720772609 /nfs/dbraw/zinc/77/26/09/720772609.db2.gz MJSXQVCMJXQPGQ-RBUKOAKNSA-N 0 3 402.502 2.892 20 0 HFADHN CCOc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738633 720780156 /nfs/dbraw/zinc/78/01/56/720780156.db2.gz GMPPSIQQIJOTSH-UYAOXDASSA-N 0 3 418.501 2.674 20 0 HFADHN CCc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738037 720781759 /nfs/dbraw/zinc/78/17/59/720781759.db2.gz DOLQXZACYIMAPQ-UXHICEINSA-N 0 3 402.502 2.838 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868739 721043899 /nfs/dbraw/zinc/04/38/99/721043899.db2.gz QENZHPQFCUYFDJ-IAGOWNOFSA-N 0 3 416.909 2.786 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867689 721057765 /nfs/dbraw/zinc/05/77/65/721057765.db2.gz JRMWYWQPXGLQJV-UXHICEINSA-N 0 3 410.518 2.912 20 0 HFADHN CCOc1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865436 721096050 /nfs/dbraw/zinc/09/60/50/721096050.db2.gz LHUXLQRJCJMPRD-QUCCMNQESA-N 0 3 405.502 2.903 20 0 HFADHN CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771392 721106596 /nfs/dbraw/zinc/10/65/96/721106596.db2.gz SNEAYXHVNJRNER-IRXDYDNUSA-N 0 3 417.941 2.912 20 0 HFADHN COC(=O)c1ccc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164768168 721115809 /nfs/dbraw/zinc/11/58/09/721115809.db2.gz NNCGWTXZYCUQNC-VQTJNVASSA-N 0 3 405.502 2.713 20 0 HFADHN COC(=O)c1cc2ccccc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164770914 721209840 /nfs/dbraw/zinc/20/98/40/721209840.db2.gz PFMXOMYEDDAFDJ-MOPGFXCFSA-N 0 3 405.502 2.713 20 0 HFADHN CC(C)c1noc(-c2ccnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2)n1 ZINC001164773822 721223856 /nfs/dbraw/zinc/22/38/56/721223856.db2.gz XFGKEVMIBUPZMX-MOPGFXCFSA-N 0 3 407.522 2.947 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@@H]3C2)cn1 ZINC001164761515 721244867 /nfs/dbraw/zinc/24/48/67/721244867.db2.gz JHOYFEMBFDCYFP-HOTGVXAUSA-N 0 3 405.481 2.942 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)c1 ZINC001164874778 721299202 /nfs/dbraw/zinc/29/92/02/721299202.db2.gz CJACKXPJIAGWSO-PKOBYXMFSA-N 0 3 400.548 2.572 20 0 HFADHN O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001164885921 721351165 /nfs/dbraw/zinc/35/11/65/721351165.db2.gz QUOULNZBBBQSTM-YADHBBJMSA-N 0 3 406.530 2.655 20 0 HFADHN O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001164885918 721351377 /nfs/dbraw/zinc/35/13/77/721351377.db2.gz QUOULNZBBBQSTM-FGZHOGPDSA-N 0 3 406.530 2.655 20 0 HFADHN Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898414 721438647 /nfs/dbraw/zinc/43/86/47/721438647.db2.gz VYOAQPOURFOFJD-WMZHIEFXSA-N 0 3 401.599 2.848 20 0 HFADHN CCOC(=O)c1cc(Cl)nnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899708 721522262 /nfs/dbraw/zinc/52/22/62/721522262.db2.gz LULYQBWSCBERQA-ZBFHGGJFSA-N 0 3 420.872 2.788 20 0 HFADHN COCc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164909230 721532055 /nfs/dbraw/zinc/53/20/55/721532055.db2.gz QZJSVSQBJQJFHV-AEFFLSMTSA-N 0 3 404.511 2.826 20 0 HFADHN COC(=O)c1cc(F)c(C)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909730 721534101 /nfs/dbraw/zinc/53/41/01/721534101.db2.gz RRZAGRBUQHEWNI-DOTOQJQBSA-N 0 3 403.429 2.797 20 0 HFADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164911293 721556217 /nfs/dbraw/zinc/55/62/17/721556217.db2.gz YSSCFUNVBRUZTM-IFMALSPDSA-N 0 3 420.488 2.773 20 0 HFADHN CN(Cc1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)nc1)C1CC1 ZINC001165022494 721782140 /nfs/dbraw/zinc/78/21/40/721782140.db2.gz RQCJSAUWLKHLTE-GIWBLDEGSA-N 0 3 411.550 2.715 20 0 HFADHN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164925088 721837274 /nfs/dbraw/zinc/83/72/74/721837274.db2.gz NQEZVDXAKYXICR-NZQKXSOJSA-N 0 3 408.550 2.732 20 0 HFADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN(C4CCCC4)CC3)n2)cc1 ZINC001165032312 721858560 /nfs/dbraw/zinc/85/85/60/721858560.db2.gz QGXFNRDQXQBLGA-UHFFFAOYSA-N 0 3 402.520 2.737 20 0 HFADHN c1c[nH]c(-c2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2)n1 ZINC001164960706 722058114 /nfs/dbraw/zinc/05/81/14/722058114.db2.gz IMWYNDBODMTSNA-UHFFFAOYSA-N 0 3 404.518 2.986 20 0 HFADHN CS(=O)(=O)N1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2c2ccccc21 ZINC001164972866 722090645 /nfs/dbraw/zinc/09/06/45/722090645.db2.gz ITYBMOWXECFMPX-QUCCMNQESA-N 0 3 412.559 2.677 20 0 HFADHN Cc1cc(N2CCCC2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981583 722099154 /nfs/dbraw/zinc/09/91/54/722099154.db2.gz LTHSWMALDKLMKV-NHCUHLMSSA-N 0 3 408.550 2.508 20 0 HFADHN COC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983996 722103178 /nfs/dbraw/zinc/10/31/78/722103178.db2.gz RLEWALPZTFCVOP-VQIMIIECSA-N 0 3 416.909 2.644 20 0 HFADHN CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983118 722119183 /nfs/dbraw/zinc/11/91/83/722119183.db2.gz YIDFMNLLMZFBOS-LEWJYISDSA-N 0 3 423.561 2.732 20 0 HFADHN COC(=O)c1ccc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974886 722123679 /nfs/dbraw/zinc/12/36/79/722123679.db2.gz ITWBOZIIDIIWSB-APWZRJJASA-N 0 3 416.909 2.644 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164971462 722125526 /nfs/dbraw/zinc/12/55/26/722125526.db2.gz COLHISKXBJMJKG-NHCUHLMSSA-N 0 3 424.545 2.997 20 0 HFADHN CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164980280 722132074 /nfs/dbraw/zinc/13/20/74/722132074.db2.gz MKSSRESKEJDJQH-LEWJYISDSA-N 0 3 423.561 2.732 20 0 HFADHN CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164980281 722132545 /nfs/dbraw/zinc/13/25/45/722132545.db2.gz MKSSRESKEJDJQH-NHCUHLMSSA-N 0 3 423.561 2.732 20 0 HFADHN COC(OC)c1cc(C)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980938 722134236 /nfs/dbraw/zinc/13/42/36/722134236.db2.gz NXSMBARUSYGQNQ-CTNGQTDRSA-N 0 3 412.534 2.804 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164977088 722149490 /nfs/dbraw/zinc/14/94/90/722149490.db2.gz IRLHXPLUGVWHGZ-FGZHOGPDSA-N 0 3 422.577 2.979 20 0 HFADHN [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1Cl ZINC001164976213 722156885 /nfs/dbraw/zinc/15/68/85/722156885.db2.gz UZTNZMUTTUAHGS-AEFFLSMTSA-N 0 3 424.879 2.641 20 0 HFADHN CN1CCN(c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995028 722193218 /nfs/dbraw/zinc/19/32/18/722193218.db2.gz RLEGEVBLKDKBQN-QHCPKHFHSA-N 0 3 410.541 2.612 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000790574042 1078058406 /nfs/dbraw/zinc/05/84/06/1078058406.db2.gz ANJMCJNALHEZMK-MRXNPFEDSA-N 0 3 405.543 2.553 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793092597 1078067084 /nfs/dbraw/zinc/06/70/84/1078067084.db2.gz FXBGMUWFKNHISX-QAPCUYQASA-N 0 3 414.333 2.738 20 0 HFADHN C[C@@H]1OCC[C@]12CN(C(=S)NC1CCN(Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608669 1078074749 /nfs/dbraw/zinc/07/47/49/1078074749.db2.gz NPIUGJFCZPGARM-FGSXEWAUSA-N 0 3 403.592 2.794 20 0 HFADHN O=C(CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)OCc1ccccc1 ZINC000793133177 1078087113 /nfs/dbraw/zinc/08/71/13/1078087113.db2.gz KETFXYSGZMZVFW-UHFFFAOYSA-N 0 3 413.440 2.834 20 0 HFADHN Cc1ccc(CN2CC[C@H](N[C@H](C)[C@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748241 1078124358 /nfs/dbraw/zinc/12/43/58/1078124358.db2.gz MEAFEYXKRJDLKH-FGCOXFRFSA-N 0 3 407.558 2.975 20 0 HFADHN COCC1(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790814306 1078127757 /nfs/dbraw/zinc/12/77/57/1078127757.db2.gz PYARHHUHIHYHSX-QGZVFWFLSA-N 0 3 424.586 2.600 20 0 HFADHN COc1ccc(Cl)cc1CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000793563054 1078210941 /nfs/dbraw/zinc/21/09/41/1078210941.db2.gz YJKCOASXENNUBD-UHFFFAOYSA-N 0 3 417.937 2.598 20 0 HFADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793629674 1078233238 /nfs/dbraw/zinc/23/32/38/1078233238.db2.gz JOXXPOARPDUSQU-XMSQKQJNSA-N 0 3 411.546 2.629 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000793715387 1078262035 /nfs/dbraw/zinc/26/20/35/1078262035.db2.gz UIRTXKDTJKLKEO-AWEZNQCLSA-N 0 3 401.429 2.534 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCCCC1 ZINC000793719396 1078264344 /nfs/dbraw/zinc/26/43/44/1078264344.db2.gz DQYKGOOKYIHVBI-BBRMVZONSA-N 0 3 403.420 2.926 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)N1CCCCC1 ZINC000793709181 1078277470 /nfs/dbraw/zinc/27/74/70/1078277470.db2.gz KETGFRHZHRBCDO-GOSISDBHSA-N 0 3 413.562 2.883 20 0 HFADHN Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793708965 1078277833 /nfs/dbraw/zinc/27/78/33/1078277833.db2.gz NCWONIOYZUFKJT-HNNXBMFYSA-N 0 3 410.356 2.673 20 0 HFADHN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000772838702 1078329179 /nfs/dbraw/zinc/32/91/79/1078329179.db2.gz UVSOYYICQDQJAX-GIVPXCGWSA-N 0 3 402.922 2.763 20 0 HFADHN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000793899626 1078343568 /nfs/dbraw/zinc/34/35/68/1078343568.db2.gz BGYCTIQLMWZGDP-LQWHRVPQSA-N 0 3 421.557 2.580 20 0 HFADHN CCc1nc(C)c(CN2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000794292881 1078402521 /nfs/dbraw/zinc/40/25/21/1078402521.db2.gz KOFXUKXJSPBTAE-KRWDZBQOSA-N 0 3 420.554 2.837 20 0 HFADHN CCCc1nc(C)c(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC000794319440 1078412792 /nfs/dbraw/zinc/41/27/92/1078412792.db2.gz HHRNWQLWZPSEGN-INIZCTEOSA-N 0 3 408.543 2.788 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000794342069 1078420246 /nfs/dbraw/zinc/42/02/46/1078420246.db2.gz DSYLRCDUYNTHJC-UHFFFAOYSA-N 0 3 418.538 2.966 20 0 HFADHN CCN1CCN(C(=O)CCCCCCCC(=O)N2CCN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804380465 1078440549 /nfs/dbraw/zinc/44/05/49/1078440549.db2.gz VVAFATHTHAVCSN-SFTDATJTSA-N 0 3 408.631 2.822 20 0 HFADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418908 1078468928 /nfs/dbraw/zinc/46/89/28/1078468928.db2.gz ZGTPOBJKUNAYOX-UXHICEINSA-N 0 3 421.969 2.603 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804657367 1078489543 /nfs/dbraw/zinc/48/95/43/1078489543.db2.gz PSENOMWMOWPEJJ-NRFANRHFSA-N 0 3 416.566 2.910 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)n1 ZINC000804693082 1078532740 /nfs/dbraw/zinc/53/27/40/1078532740.db2.gz BJBUGTMRLKUJLM-FQEVSTJZSA-N 0 3 407.563 2.677 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C ZINC000804566067 1078601413 /nfs/dbraw/zinc/60/14/13/1078601413.db2.gz IUJANLCUIARTOL-SILNSSARSA-N 0 3 400.502 2.843 20 0 HFADHN O=C(N1CCC[C@@H](n2ccnn2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001129933251 1078598495 /nfs/dbraw/zinc/59/84/95/1078598495.db2.gz QZLJJUZQCZGYOH-MJGOQNOKSA-N 0 3 407.440 2.896 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000804567219 1078602324 /nfs/dbraw/zinc/60/23/24/1078602324.db2.gz NBUBBVUYSIXWAL-UHFFFAOYSA-N 0 3 417.579 2.967 20 0 HFADHN CCCCCCN(C)CC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761516 1078611042 /nfs/dbraw/zinc/61/10/42/1078611042.db2.gz HLCKNHJVHBYKHG-IBGZPJMESA-N 0 3 410.603 2.652 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000804904050 1078759672 /nfs/dbraw/zinc/75/96/72/1078759672.db2.gz UHPZRSSKBQHDTL-APWZRJJASA-N 0 3 413.440 2.961 20 0 HFADHN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747230363 1078949126 /nfs/dbraw/zinc/94/91/26/1078949126.db2.gz QCAYQHYXOWSQJP-GPXNEJASSA-N 0 3 423.557 2.503 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199271 1078952726 /nfs/dbraw/zinc/95/27/26/1078952726.db2.gz QEWXWWUQJYRPRX-RADWXHQJSA-N 0 3 406.571 2.902 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000805282438 1079008671 /nfs/dbraw/zinc/00/86/71/1079008671.db2.gz NZMSAUBQUSQKJT-VQTJNVASSA-N 0 3 402.539 2.763 20 0 HFADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)N(C)C)cc1 ZINC000805275602 1079004902 /nfs/dbraw/zinc/00/49/02/1079004902.db2.gz LYVGKKCPLCSRFT-HXUWFJFHSA-N 0 3 408.502 2.753 20 0 HFADHN CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(NS(C)(=O)=O)c2)N(C)C)cc1 ZINC000805275355 1079005367 /nfs/dbraw/zinc/00/53/67/1079005367.db2.gz KPNDXXPHFWGRMI-FQEVSTJZSA-N 0 3 419.547 2.878 20 0 HFADHN CNC(=O)c1cncc(/C=C/C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000805276940 1079005660 /nfs/dbraw/zinc/00/56/60/1079005660.db2.gz LTRWXHCXMMSRPN-VWMRQFFHSA-N 0 3 410.518 2.661 20 0 HFADHN CN(C)C(=O)O[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001170479430 1079031160 /nfs/dbraw/zinc/03/11/60/1079031160.db2.gz JCUZABZPIDSLPK-LBPRGKRZSA-N 0 3 402.264 2.689 20 0 HFADHN CN(C)C(=O)O[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001170479429 1079031198 /nfs/dbraw/zinc/03/11/98/1079031198.db2.gz JCUZABZPIDSLPK-GFCCVEGCSA-N 0 3 402.264 2.689 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000805359001 1079045467 /nfs/dbraw/zinc/04/54/67/1079045467.db2.gz WDZVHJBRKFGMEK-DHIUTWEWSA-N 0 3 411.546 2.873 20 0 HFADHN O=C(NC[C@H]1CCC=CO1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805510336 1079110640 /nfs/dbraw/zinc/11/06/40/1079110640.db2.gz FFSNDZNDDCIGIL-XPWALMASSA-N 0 3 419.525 2.580 20 0 HFADHN O=C(NC[C@@H]1CCC=CO1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805510335 1079110688 /nfs/dbraw/zinc/11/06/88/1079110688.db2.gz FFSNDZNDDCIGIL-RJGXRXQPSA-N 0 3 419.525 2.580 20 0 HFADHN CC(C)N(C(=O)Cn1cnc2sccc2c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130256816 1079145676 /nfs/dbraw/zinc/14/56/76/1079145676.db2.gz DWKYUMOOZSBUCC-SFHVURJKSA-N 0 3 410.543 2.970 20 0 HFADHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001130300639 1079191712 /nfs/dbraw/zinc/19/17/12/1079191712.db2.gz BXHITWYTXGNIGR-OALUTQOASA-N 0 3 407.580 2.819 20 0 HFADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc2)C1 ZINC001130300777 1079192126 /nfs/dbraw/zinc/19/21/26/1079192126.db2.gz DIYYXOOMQJITHL-DUXKGJEZSA-N 0 3 419.591 2.854 20 0 HFADHN C[C@H](CNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000805944455 1079346015 /nfs/dbraw/zinc/34/60/15/1079346015.db2.gz VXPFZDAWSZBYSG-FMGIXGHUSA-N 0 3 423.557 2.570 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000806058220 1079403350 /nfs/dbraw/zinc/40/33/50/1079403350.db2.gz ITRPEPYSHDJTAJ-UHFFFAOYSA-N 0 3 421.497 2.786 20 0 HFADHN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000772846187 1079429092 /nfs/dbraw/zinc/42/90/92/1079429092.db2.gz MLYZSAWQGKSSEY-NXHRZFHOSA-N 0 3 423.579 2.765 20 0 HFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1C ZINC001130517930 1079448221 /nfs/dbraw/zinc/44/82/21/1079448221.db2.gz AUQODSWQAHEVCW-MOPGFXCFSA-N 0 3 407.580 2.772 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2)CC1 ZINC001130541313 1079461853 /nfs/dbraw/zinc/46/18/53/1079461853.db2.gz AEJBSWINTUQPAD-NRFANRHFSA-N 0 3 422.529 2.767 20 0 HFADHN CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000806174393 1079464207 /nfs/dbraw/zinc/46/42/07/1079464207.db2.gz WHLQGKKTBPUOBF-HNAYVOBHSA-N 0 3 420.535 2.681 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)NC)cc2)CC1 ZINC000806153349 1079469992 /nfs/dbraw/zinc/46/99/92/1079469992.db2.gz NEMCFCJCMWXGON-IBGZPJMESA-N 0 3 403.527 2.571 20 0 HFADHN CC(C)[C@H](N[C@@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163870 1079473799 /nfs/dbraw/zinc/47/37/99/1079473799.db2.gz WIUDZXPTAJXLNK-BEFAXECRSA-N 0 3 402.930 2.533 20 0 HFADHN C[C@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335856 1076747013 /nfs/dbraw/zinc/74/70/13/1076747013.db2.gz VWOARKMIXJMFFG-OKZBNKHCSA-N 0 3 424.586 2.669 20 0 HFADHN Cc1ccc(Br)nc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000787303092 1076749997 /nfs/dbraw/zinc/74/99/97/1076749997.db2.gz JPADPQLFFHMEFP-FQEVSTJZSA-N 0 3 418.335 2.862 20 0 HFADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000787508384 1076830019 /nfs/dbraw/zinc/83/00/19/1076830019.db2.gz JVGWCVPUZWTQBH-CYBMUJFWSA-N 0 3 404.417 2.691 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)N1CCCCC1 ZINC000787470084 1076834549 /nfs/dbraw/zinc/83/45/49/1076834549.db2.gz FJRPZAZMFYCPIM-OAHLLOKOSA-N 0 3 400.454 2.942 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCCN3CCCC(C)(C)C3)[nH]n2)C1 ZINC000787585329 1076873499 /nfs/dbraw/zinc/87/34/99/1076873499.db2.gz FIZLTWFHSJIQKG-MRXNPFEDSA-N 0 3 419.570 2.986 20 0 HFADHN CC(C)(C)OC(=O)NC[C@](C)(NCc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC1 ZINC000787731098 1076933731 /nfs/dbraw/zinc/93/37/31/1076933731.db2.gz QYBJRAKTOAWJJO-SFHVURJKSA-N 0 3 417.959 2.770 20 0 HFADHN CNC(=O)Cc1nc(COC(=O)C2(C)CCN(Cc3ccccc3)CC2)cs1 ZINC000772707927 1076963462 /nfs/dbraw/zinc/96/34/62/1076963462.db2.gz AHYBAPFBNGJRTL-UHFFFAOYSA-N 0 3 401.532 2.777 20 0 HFADHN C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000787869808 1076967576 /nfs/dbraw/zinc/96/75/76/1076967576.db2.gz DHKAERZRYOAOMY-RBUKOAKNSA-N 0 3 424.545 2.828 20 0 HFADHN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000787880379 1076974396 /nfs/dbraw/zinc/97/43/96/1076974396.db2.gz RYAYAZSSWLPETM-LSDHHAIUSA-N 0 3 411.930 2.683 20 0 HFADHN C[C@@H](NCc1cnc(C2OCCO2)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000787926816 1077000476 /nfs/dbraw/zinc/00/04/76/1077000476.db2.gz XNWJVYPIIDNEJR-CQSZACIVSA-N 0 3 406.527 2.930 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cc(C)cnc3Cl)cc2)CC1 ZINC000787895332 1077002812 /nfs/dbraw/zinc/00/28/12/1077002812.db2.gz CNJRCCUCPRQCAO-UHFFFAOYSA-N 0 3 401.898 2.763 20 0 HFADHN Cc1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1N1CCOC1=O ZINC000746728735 1077061374 /nfs/dbraw/zinc/06/13/74/1077061374.db2.gz JHTKFBCAYBHHJK-UHFFFAOYSA-N 0 3 402.495 2.528 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CC(C)(C)CC(C)=O)cc2)CC1 ZINC000788152035 1077069620 /nfs/dbraw/zinc/06/96/20/1077069620.db2.gz SGXPVWGDOQRMAZ-UHFFFAOYSA-N 0 3 403.523 2.706 20 0 HFADHN CC1(C(=O)OCC(=O)NCC(=O)c2cccs2)CCN(Cc2ccccc2)CC1 ZINC000772717602 1077094034 /nfs/dbraw/zinc/09/40/34/1077094034.db2.gz GHMCTRODIJJKMZ-UHFFFAOYSA-N 0 3 414.527 2.893 20 0 HFADHN CN1CC[C@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000788288191 1077098964 /nfs/dbraw/zinc/09/89/64/1077098964.db2.gz ZDXVQFGXXWZZJN-VQTJNVASSA-N 0 3 417.531 2.677 20 0 HFADHN CC1(C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)CCN(Cc2ccccc2)CC1 ZINC000772720140 1077155000 /nfs/dbraw/zinc/15/50/00/1077155000.db2.gz ZTSVJDONCOSMCO-UHFFFAOYSA-N 0 3 413.518 2.697 20 0 HFADHN COc1cc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cnc1Br ZINC000788531258 1077204175 /nfs/dbraw/zinc/20/41/75/1077204175.db2.gz WHLBQPPSUVIHJE-OCCSQVGLSA-N 0 3 400.342 2.505 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c(C)c1Cl ZINC000788653176 1077226850 /nfs/dbraw/zinc/22/68/50/1077226850.db2.gz QHEGBIXOPHOVIF-NEPJUHHUSA-N 0 3 406.957 2.601 20 0 HFADHN CCc1ccc([C@@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC000788621762 1077232172 /nfs/dbraw/zinc/23/21/72/1077232172.db2.gz VUPSVLFLUZCKHJ-PKOBYXMFSA-N 0 3 418.538 2.638 20 0 HFADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@@H](C)C1 ZINC000788634457 1077239964 /nfs/dbraw/zinc/23/99/64/1077239964.db2.gz JYRVIDDYPJQETN-CMPLNLGQSA-N 0 3 408.973 2.847 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c(C)c1Cl ZINC000788636595 1077241538 /nfs/dbraw/zinc/24/15/38/1077241538.db2.gz SAJCWJDGCUBZGZ-LBPRGKRZSA-N 0 3 408.973 2.991 20 0 HFADHN CCOC(=O)C1([C@H](C)N[C@@H](C)c2n[nH]c(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691162 1077252189 /nfs/dbraw/zinc/25/21/89/1077252189.db2.gz XWFSVIAMMAVFDV-GJZGRUSLSA-N 0 3 423.558 2.987 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCC[C@@](C)(O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788768357 1077282254 /nfs/dbraw/zinc/28/22/54/1077282254.db2.gz ZJRLSALKQBEKAA-NPPFBWRTSA-N 0 3 406.523 2.815 20 0 HFADHN COc1cccc(-c2nc(C)c(C(=O)O[C@@H]3CCCN(c4ccnc(N)n4)C3)[nH]2)c1 ZINC000791105865 1077300251 /nfs/dbraw/zinc/30/02/51/1077300251.db2.gz FDOFYDDWPPXNPL-MRXNPFEDSA-N 0 3 408.462 2.592 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148098 1077308582 /nfs/dbraw/zinc/30/85/82/1077308582.db2.gz ZXUFUUHSTGQQLF-IRXDYDNUSA-N 0 3 407.559 2.565 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825347 1077310929 /nfs/dbraw/zinc/31/09/29/1077310929.db2.gz YSCPWUJTULCXKQ-LMMKCTJWSA-N 0 3 404.507 2.911 20 0 HFADHN CCOC(=O)N1CC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000788963406 1077364437 /nfs/dbraw/zinc/36/44/37/1077364437.db2.gz BVADXQWBNVZFGV-MRXNPFEDSA-N 0 3 412.328 2.606 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CCN(C)C)Cc3ccccc3)C2)c1 ZINC000791479333 1077420806 /nfs/dbraw/zinc/42/08/06/1077420806.db2.gz RRRRXKYUBZMBEU-JOCHJYFZSA-N 0 3 411.502 2.787 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000791472981 1077444516 /nfs/dbraw/zinc/44/45/16/1077444516.db2.gz OVRXOUJVSSAUOY-QFIPXVFZSA-N 0 3 408.502 2.969 20 0 HFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792551 1077455940 /nfs/dbraw/zinc/45/59/40/1077455940.db2.gz FPQVWPPFCAMJMH-UHFFFAOYSA-N 0 3 401.486 2.666 20 0 HFADHN O=C(CN1CCC(c2ncc3n2CCCC3)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000789359087 1077516118 /nfs/dbraw/zinc/51/61/18/1077516118.db2.gz WLXJTBRPGTUYNW-UHFFFAOYSA-N 0 3 423.561 2.874 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)CN(C)Cc3ccccc3)C2)c1 ZINC000791690440 1077529216 /nfs/dbraw/zinc/52/92/16/1077529216.db2.gz OBPLPPWWJGACSN-ZHRRBRCNSA-N 0 3 411.502 2.834 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)C2)c1 ZINC000791753034 1077552762 /nfs/dbraw/zinc/55/27/62/1077552762.db2.gz XZUXDLPQSWLEKZ-GMAHTHKFSA-N 0 3 423.513 2.596 20 0 HFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)/C=C/c3cnc4ccccc4n3)cc21 ZINC000746806583 1077555881 /nfs/dbraw/zinc/55/58/81/1077555881.db2.gz WKPLPSTVVXVHRE-CSKARUKUSA-N 0 3 403.442 2.751 20 0 HFADHN COc1ccc(/C=C\C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1OC ZINC000746805898 1077558328 /nfs/dbraw/zinc/55/83/28/1077558328.db2.gz HPNCLXCWILJSTL-POHAHGRESA-N 0 3 411.458 2.825 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)CC1 ZINC000791896319 1077589659 /nfs/dbraw/zinc/58/96/59/1077589659.db2.gz BMOJNYGFNPSAJY-UHFFFAOYSA-N 0 3 414.543 2.581 20 0 HFADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792144478 1077721666 /nfs/dbraw/zinc/72/16/66/1077721666.db2.gz XNHJSTBECMIHIN-GOSISDBHSA-N 0 3 406.527 2.540 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653153 1077724743 /nfs/dbraw/zinc/72/47/43/1077724743.db2.gz QABLPCBFSHCIEG-TYILLQQXSA-N 0 3 405.495 2.977 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789759281 1077764370 /nfs/dbraw/zinc/76/43/70/1077764370.db2.gz SESOIRHWAFSCIA-UHFFFAOYSA-N 0 3 411.521 2.606 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCCC[C@H]1C1OCCO1 ZINC000792275048 1077789627 /nfs/dbraw/zinc/78/96/27/1077789627.db2.gz BQSXXOOWXFOAFC-GPANFISMSA-N 0 3 405.461 2.729 20 0 HFADHN CN(CCN1CCN(C(=O)c2nc(Br)cs2)CC1)Cc1ccccc1 ZINC000792321067 1077805504 /nfs/dbraw/zinc/80/55/04/1077805504.db2.gz NBCLUPRAFSARAV-UHFFFAOYSA-N 0 3 423.380 2.795 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000789775429 1077808689 /nfs/dbraw/zinc/80/86/89/1077808689.db2.gz UIPDCPRHWGBXCR-UHFFFAOYSA-N 0 3 416.909 2.750 20 0 HFADHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000789808967 1077820189 /nfs/dbraw/zinc/82/01/89/1077820189.db2.gz NBBXTTKRWQNTSU-MRXNPFEDSA-N 0 3 424.501 2.863 20 0 HFADHN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332936 1077822156 /nfs/dbraw/zinc/82/21/56/1077822156.db2.gz IQCQGHPTJOWSTH-ROUUACIJSA-N 0 3 409.571 2.783 20 0 HFADHN C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000792336969 1077824922 /nfs/dbraw/zinc/82/49/22/1077824922.db2.gz YKZPKDIYRVLMSK-NQIIRXRSSA-N 0 3 418.582 2.737 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339467 1077825844 /nfs/dbraw/zinc/82/58/44/1077825844.db2.gz ABQATRJWFUXQRW-ZWKOTPCHSA-N 0 3 413.905 2.925 20 0 HFADHN Cc1cc(NC(=O)C(=O)Nc2ccnn2CC2CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792347075 1077828380 /nfs/dbraw/zinc/82/83/80/1077828380.db2.gz MSHVZRQHDZJEPB-UHFFFAOYSA-N 0 3 424.549 2.709 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 ZINC000789885654 1077835990 /nfs/dbraw/zinc/83/59/90/1077835990.db2.gz SMCAOOMBOKHIBQ-QHCPKHFHSA-N 0 3 420.557 2.702 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]3C)cc2)CC1 ZINC000792385113 1077847982 /nfs/dbraw/zinc/84/79/82/1077847982.db2.gz DTDJEYOIGHPZEG-YOEHRIQHSA-N 0 3 412.456 2.566 20 0 HFADHN N=C(N)N(c1c[nH]c2ncc(Br)nc12)c1ccc(N2CCOCC2)cc1 ZINC001170167498 1077867429 /nfs/dbraw/zinc/86/74/29/1077867429.db2.gz KQPDLSLXIPDVFC-UHFFFAOYSA-N 0 3 416.283 2.589 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC000790029843 1077903130 /nfs/dbraw/zinc/90/31/30/1077903130.db2.gz SSWSTEFORKNUQB-KRWDZBQOSA-N 0 3 411.568 2.768 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790041306 1077908337 /nfs/dbraw/zinc/90/83/37/1077908337.db2.gz LNJFXFQTEZAIMA-NVXWUHKLSA-N 0 3 411.568 2.815 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000790018686 1077915264 /nfs/dbraw/zinc/91/52/64/1077915264.db2.gz ZLOAXTDOGMFKTQ-UHFFFAOYSA-N 0 3 411.568 2.768 20 0 HFADHN CC[C@H]1C[C@H](N2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224200 1077916890 /nfs/dbraw/zinc/91/68/90/1077916890.db2.gz UITSCTRZWRPBLP-KIZRIRGWSA-N 0 3 402.535 2.702 20 0 HFADHN NC(=O)CCN(C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCOc2ccccc21 ZINC001170290296 1077938728 /nfs/dbraw/zinc/93/87/28/1077938728.db2.gz JPYCOUWGVICQJS-OXQOHEQNSA-N 0 3 409.486 2.609 20 0 HFADHN CCc1nsc(N2CCCN(CCC(=O)Nc3ccc(N(C)C)cc3)CC2)n1 ZINC000790129540 1077951376 /nfs/dbraw/zinc/95/13/76/1077951376.db2.gz WSCIIMJJHGYSHE-UHFFFAOYSA-N 0 3 402.568 2.707 20 0 HFADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170384951 1077956797 /nfs/dbraw/zinc/95/67/97/1077956797.db2.gz DWFONVOMGISBAI-MSOLQXFVSA-N 0 3 414.506 2.509 20 0 HFADHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001170375577 1077961875 /nfs/dbraw/zinc/96/18/75/1077961875.db2.gz GUMBMDMHCIOEKF-LJQANCHMSA-N 0 3 411.458 2.763 20 0 HFADHN CC1(C)OCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001170375576 1077961945 /nfs/dbraw/zinc/96/19/45/1077961945.db2.gz GUMBMDMHCIOEKF-IBGZPJMESA-N 0 3 411.458 2.763 20 0 HFADHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400323 1077965073 /nfs/dbraw/zinc/96/50/73/1077965073.db2.gz SJDAPCWGMJPZOM-VCTAVGKDSA-N 0 3 402.276 2.879 20 0 HFADHN CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001691696238 1077993067 /nfs/dbraw/zinc/99/30/67/1077993067.db2.gz RQQLNKQFSZEXFV-FQEVSTJZSA-N 0 3 418.561 2.612 20 0 HFADHN CCOC1(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)CCCC1 ZINC000792823012 1078006059 /nfs/dbraw/zinc/00/60/59/1078006059.db2.gz GQRKGZDIWMSUFD-UHFFFAOYSA-N 0 3 402.535 2.922 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)nc1Br ZINC000792980282 1078031809 /nfs/dbraw/zinc/03/18/09/1078031809.db2.gz NURIPYYNDUFJII-AWEZNQCLSA-N 0 3 419.323 2.728 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)nc1Br ZINC000792980284 1078031876 /nfs/dbraw/zinc/03/18/76/1078031876.db2.gz NURIPYYNDUFJII-CQSZACIVSA-N 0 3 419.323 2.728 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000790439244 1078031886 /nfs/dbraw/zinc/03/18/86/1078031886.db2.gz URAJISHFQKSORJ-UHFFFAOYSA-N 0 3 420.554 2.635 20 0 HFADHN O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1)OCc1ccccc1 ZINC000792985001 1078040988 /nfs/dbraw/zinc/04/09/88/1078040988.db2.gz MCPGOEWMJMCYQC-RTBURBONSA-N 0 3 400.523 2.571 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1C1CC1 ZINC000792988554 1078041743 /nfs/dbraw/zinc/04/17/43/1078041743.db2.gz FCIDNFLJCSEHFM-RLLQIKCJSA-N 0 3 414.550 2.960 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000790483481 1078041850 /nfs/dbraw/zinc/04/18/50/1078041850.db2.gz GRFOSADHZMHTMP-NPPFBWRTSA-N 0 3 402.539 2.629 20 0 HFADHN COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000792990176 1078042249 /nfs/dbraw/zinc/04/22/49/1078042249.db2.gz QEAPOAOHVHUYGV-GMAHTHKFSA-N 0 3 424.545 2.708 20 0 HFADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000806239081 1079514886 /nfs/dbraw/zinc/51/48/86/1079514886.db2.gz MXHIAQNNRYBHSY-VXKWHMMOSA-N 0 3 423.561 2.551 20 0 HFADHN CC(C)NC(=O)OC1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000806244028 1079519962 /nfs/dbraw/zinc/51/99/62/1079519962.db2.gz WAQFWGQOANEHDS-UHFFFAOYSA-N 0 3 406.552 2.629 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000806307694 1079559569 /nfs/dbraw/zinc/55/95/69/1079559569.db2.gz HFMPHZCRIRQGBI-VQTJNVASSA-N 0 3 404.555 2.812 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000806307696 1079559752 /nfs/dbraw/zinc/55/97/52/1079559752.db2.gz HFMPHZCRIRQGBI-WOJBJXKFSA-N 0 3 404.555 2.812 20 0 HFADHN O=C(CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)NCc1ccccc1 ZINC000747324980 1079591942 /nfs/dbraw/zinc/59/19/42/1079591942.db2.gz VCPWRTQJCLQVIL-NRFANRHFSA-N 0 3 419.447 2.874 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325256 1079594494 /nfs/dbraw/zinc/59/44/94/1079594494.db2.gz GHHNHEVDWDHBID-CABCVRRESA-N 0 3 403.573 2.921 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325262 1079594631 /nfs/dbraw/zinc/59/46/31/1079594631.db2.gz GHHNHEVDWDHBID-HUUCEWRRSA-N 0 3 403.573 2.921 20 0 HFADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328494 1079601377 /nfs/dbraw/zinc/60/13/77/1079601377.db2.gz GMDMOOXAXMIQTM-VQTJNVASSA-N 0 3 421.969 2.603 20 0 HFADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN(C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508925 1079722513 /nfs/dbraw/zinc/72/25/13/1079722513.db2.gz YHDUSGQOWOJDMQ-CXHBIVLNSA-N 0 3 413.942 2.541 20 0 HFADHN Cc1ccc(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(Cl)n1 ZINC000806502789 1079753800 /nfs/dbraw/zinc/75/38/00/1079753800.db2.gz OOLCKXDDCRTXHP-UHFFFAOYSA-N 0 3 400.910 2.922 20 0 HFADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC000806527444 1079801558 /nfs/dbraw/zinc/80/15/58/1079801558.db2.gz YSHOEXZSWOUVPR-AWEZNQCLSA-N 0 3 410.440 2.801 20 0 HFADHN CN(C)C[C@H](NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1 ZINC000806593222 1079835873 /nfs/dbraw/zinc/83/58/73/1079835873.db2.gz GSVKVVQXLUICAT-SFHVURJKSA-N 0 3 424.567 2.665 20 0 HFADHN O=C(N1CC[C@H]2NC(=O)CC[C@@H]2C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130690245 1079851664 /nfs/dbraw/zinc/85/16/64/1079851664.db2.gz KPXRPGILOAGOSC-HLIPFELVSA-N 0 3 409.452 2.568 20 0 HFADHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001130732683 1079969774 /nfs/dbraw/zinc/96/97/74/1079969774.db2.gz AVLQKTPYDYVSPR-IMRHEYAYSA-N 0 3 410.562 2.717 20 0 HFADHN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742252 1080006093 /nfs/dbraw/zinc/00/60/93/1080006093.db2.gz PCUNWGUPKDQNHH-SIKLNZKXSA-N 0 3 419.566 2.616 20 0 HFADHN CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092872 1080271884 /nfs/dbraw/zinc/27/18/84/1080271884.db2.gz XTQYEMJCNKKKJV-FQEVSTJZSA-N 0 3 401.551 2.603 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000807149133 1080302917 /nfs/dbraw/zinc/30/29/17/1080302917.db2.gz SZTAHAJNTAXAOH-IMFGXOCKSA-N 0 3 420.554 2.854 20 0 HFADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000807149722 1080306082 /nfs/dbraw/zinc/30/60/82/1080306082.db2.gz GTSBEZNKVIUEDW-OXQOHEQNSA-N 0 3 420.554 2.854 20 0 HFADHN CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000807189906 1080338600 /nfs/dbraw/zinc/33/86/00/1080338600.db2.gz ZHUVHCQREBLRRQ-PCKAHOCUSA-N 0 3 420.476 2.712 20 0 HFADHN COCC1(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268164 1080419890 /nfs/dbraw/zinc/41/98/90/1080419890.db2.gz MUSIOPDNUQXIRG-GOSISDBHSA-N 0 3 424.586 2.528 20 0 HFADHN Cc1cc(NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC000807389654 1080586127 /nfs/dbraw/zinc/58/61/27/1080586127.db2.gz MUZXUKLDGMTVCZ-UHFFFAOYSA-N 0 3 415.925 2.925 20 0 HFADHN C[C@@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@H](c1ccccc1)N(C)C ZINC000807401076 1080596624 /nfs/dbraw/zinc/59/66/24/1080596624.db2.gz ISNSORHDNAIISL-SJLPKXTDSA-N 0 3 403.596 2.886 20 0 HFADHN C[C@@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000807401067 1080596657 /nfs/dbraw/zinc/59/66/57/1080596657.db2.gz ISNSORHDNAIISL-AEFFLSMTSA-N 0 3 403.596 2.886 20 0 HFADHN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)[C@@H](c1ccccc1)N(C)C ZINC000807402719 1080597696 /nfs/dbraw/zinc/59/76/96/1080597696.db2.gz LJSPOTSRSFKUMO-WBKMXMRLSA-N 0 3 401.507 2.805 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)c(Br)n1 ZINC000807413303 1080608822 /nfs/dbraw/zinc/60/88/22/1080608822.db2.gz JPCOCQKBRDQYHT-UHFFFAOYSA-N 0 3 423.311 2.665 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000807525209 1080777600 /nfs/dbraw/zinc/77/76/00/1080777600.db2.gz ZEWAKSKCVYCYJZ-UHFFFAOYSA-N 0 3 412.481 2.516 20 0 HFADHN CCOC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807590043 1080790623 /nfs/dbraw/zinc/79/06/23/1080790623.db2.gz ZYWZCYRNPHMGGS-UYAOXDASSA-N 0 3 420.554 2.997 20 0 HFADHN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CN[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001308547506 1126168050 /nfs/dbraw/zinc/16/80/50/1126168050.db2.gz LHIAKVDMELLJPW-PWIZWCRZSA-N 0 3 413.522 2.598 20 0 HFADHN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164389828 718822878 /nfs/dbraw/zinc/82/28/78/718822878.db2.gz JTYATNNMCMCZMU-DGCLKSJQSA-N 0 3 405.232 2.928 20 0 HFADHN CCOC(=O)C1CCN(C2CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)CC1 ZINC001164618062 719035551 /nfs/dbraw/zinc/03/55/51/719035551.db2.gz RQJMPIVXWSEQJY-SFHVURJKSA-N 0 3 400.882 2.501 20 0 HFADHN CC[C@H]1C(=O)N(C)c2cnc(N3CCN(CC(C)C)CC3)nc2N1C1CCCC1 ZINC001164653375 719333276 /nfs/dbraw/zinc/33/32/76/719333276.db2.gz AJKAVGBKPLFSCI-SFHVURJKSA-N 0 3 400.571 2.759 20 0 HFADHN CN(Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1)C1CC1 ZINC001164836103 720502310 /nfs/dbraw/zinc/50/23/10/720502310.db2.gz MOPAABMQBZAFMU-FCEUIQTBSA-N 0 3 412.578 2.920 20 0 HFADHN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164731132 720502361 /nfs/dbraw/zinc/50/23/61/720502361.db2.gz VYYSXWBCVJFHAN-NZQKXSOJSA-N 0 3 407.518 2.697 20 0 HFADHN O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3CN3CCCC3)CC[C@H]21)N1CCCCC1 ZINC001164840778 720503111 /nfs/dbraw/zinc/50/31/11/720503111.db2.gz XLPRXPCCWUMVDE-VSKRKVRLSA-N 0 3 412.578 2.921 20 0 HFADHN O=C(C[C@@H]1OC[C@@H]2CN(c3ncccc3CN3CCCC3)CC[C@@H]21)N1CCCCC1 ZINC001164840772 720503115 /nfs/dbraw/zinc/50/31/15/720503115.db2.gz XLPRXPCCWUMVDE-FKBYEOEOSA-N 0 3 412.578 2.921 20 0 HFADHN c1ccc(COc2cccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164739891 720738608 /nfs/dbraw/zinc/73/86/08/720738608.db2.gz JIZBLHGHFYNIBJ-UXHICEINSA-N 0 3 403.486 2.793 20 0 HFADHN Clc1ccc2[nH]c3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3c2c1 ZINC001164741597 720749789 /nfs/dbraw/zinc/74/97/89/720749789.db2.gz MTTDGQYHUYGZES-GJZGRUSLSA-N 0 3 421.892 2.896 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746969 720752292 /nfs/dbraw/zinc/75/22/92/720752292.db2.gz ZKGSCFLIRWKEEU-IRXDYDNUSA-N 0 3 412.494 2.561 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CSCC2 ZINC001164866312 721057564 /nfs/dbraw/zinc/05/75/64/721057564.db2.gz DVIBEAZVDBTLFF-JKSUJKDBSA-N 0 3 417.966 2.794 20 0 HFADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869986 721070063 /nfs/dbraw/zinc/07/00/63/721070063.db2.gz VBMQSTVLWWXUJI-HZPDHXFCSA-N 0 3 415.925 2.770 20 0 HFADHN CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771390 721107738 /nfs/dbraw/zinc/10/77/38/721107738.db2.gz SNEAYXHVNJRNER-DLBZAZTESA-N 0 3 417.941 2.912 20 0 HFADHN CCCN(CCC)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164862805 721115683 /nfs/dbraw/zinc/11/56/83/721115683.db2.gz AOODYIRWYNSRKB-RTWAWAEBSA-N 0 3 410.566 2.978 20 0 HFADHN CSc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164869310 721189041 /nfs/dbraw/zinc/18/90/41/721189041.db2.gz QFSBUMNRRDXWGD-JKSUJKDBSA-N 0 3 403.577 2.795 20 0 HFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2)C1 ZINC001164769383 721197074 /nfs/dbraw/zinc/19/70/74/721197074.db2.gz MFFUUSJVAPAYIA-COPCDDAFSA-N 0 3 422.577 2.646 20 0 HFADHN COc1cccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164770857 721201179 /nfs/dbraw/zinc/20/11/79/721201179.db2.gz OXKNBECRBASROB-VQTJNVASSA-N 0 3 404.518 2.844 20 0 HFADHN COc1cc2cnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)cc2cc1OC ZINC001164768274 721211467 /nfs/dbraw/zinc/21/14/67/721211467.db2.gz KTLMBUKOWLTPOF-PXNSSMCTSA-N 0 3 407.518 2.944 20 0 HFADHN Cc1nc(-c2ccncc2)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164768432 721220019 /nfs/dbraw/zinc/22/00/19/721220019.db2.gz KZSKSDTVVNTGNB-NHCUHLMSSA-N 0 3 403.534 2.847 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164766911 721223121 /nfs/dbraw/zinc/22/31/21/721223121.db2.gz JOMPDWPEWUYJMY-VQTJNVASSA-N 0 3 415.545 2.719 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164766219 721231550 /nfs/dbraw/zinc/23/15/50/721231550.db2.gz SZDKMCBRVXITPL-RBUKOAKNSA-N 0 3 405.506 2.701 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@H]3C2)cn1 ZINC001164769743 721245771 /nfs/dbraw/zinc/24/57/71/721245771.db2.gz ZMABCSGZNPCXIK-LSDHHAIUSA-N 0 3 412.588 2.622 20 0 HFADHN CN(Cc1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768140 721275212 /nfs/dbraw/zinc/27/52/12/721275212.db2.gz KMXWTDVZCLVRON-IBGZPJMESA-N 0 3 404.518 2.983 20 0 HFADHN c1ccc(N(c2ccc(CN3CCCC3)cn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164878166 721329557 /nfs/dbraw/zinc/32/95/57/721329557.db2.gz ZBOLDUAVDAUGMW-LJQANCHMSA-N 0 3 417.517 2.993 20 0 HFADHN COC(=O)c1ccc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900733 721517202 /nfs/dbraw/zinc/51/72/02/721517202.db2.gz UNAWGNXOIBQQFE-AZUAARDMSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1ccc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900740 721517282 /nfs/dbraw/zinc/51/72/82/721517282.db2.gz UNAWGNXOIBQQFE-QUCCMNQESA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1cccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc21 ZINC001164900684 721524473 /nfs/dbraw/zinc/52/44/73/721524473.db2.gz SYOQONIEYZQGEO-WMZOPIPTSA-N 0 3 422.460 2.897 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900307 721525341 /nfs/dbraw/zinc/52/53/41/721525341.db2.gz PZPADVBJMMMMPU-ZFWWWQNUSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900307 721525346 /nfs/dbraw/zinc/52/53/46/721525346.db2.gz PZPADVBJMMMMPU-ZFWWWQNUSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2[nH]1 ZINC001164900307 721525351 /nfs/dbraw/zinc/52/53/51/721525351.db2.gz PZPADVBJMMMMPU-ZFWWWQNUSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900305 721525382 /nfs/dbraw/zinc/52/53/82/721525382.db2.gz PZPADVBJMMMMPU-HIFRSBDPSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900305 721525384 /nfs/dbraw/zinc/52/53/84/721525384.db2.gz PZPADVBJMMMMPU-HIFRSBDPSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2[nH]1 ZINC001164900305 721525386 /nfs/dbraw/zinc/52/53/86/721525386.db2.gz PZPADVBJMMMMPU-HIFRSBDPSA-N 0 3 402.861 2.796 20 0 HFADHN CNC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907304 721716389 /nfs/dbraw/zinc/71/63/89/721716389.db2.gz QOJBWVKLKAEAAN-FQEVSTJZSA-N 0 3 401.461 2.574 20 0 HFADHN CN(Cc1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1)C1CC1 ZINC001165022491 721782354 /nfs/dbraw/zinc/78/23/54/721782354.db2.gz RQCJSAUWLKHLTE-FUDKSRODSA-N 0 3 411.550 2.715 20 0 HFADHN COC(=O)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1C ZINC001164963843 722057318 /nfs/dbraw/zinc/05/73/18/722057318.db2.gz NMWMKDFSQMRYNN-UHFFFAOYSA-N 0 3 410.518 2.691 20 0 HFADHN Nc1cc(F)c(Cl)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960030 722058493 /nfs/dbraw/zinc/05/84/93/722058493.db2.gz DJAUZIXIGRUSBE-UHFFFAOYSA-N 0 3 405.905 2.970 20 0 HFADHN FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983369 722098759 /nfs/dbraw/zinc/09/87/59/722098759.db2.gz PQSRZOJAVWISHN-CVEARBPZSA-N 0 3 409.868 2.797 20 0 HFADHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986226 722098975 /nfs/dbraw/zinc/09/89/75/722098975.db2.gz YLZKCBYQBJTRAY-NHCUHLMSSA-N 0 3 408.550 2.729 20 0 HFADHN Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983174 722109611 /nfs/dbraw/zinc/10/96/11/722109611.db2.gz YKNXANYCPDLHQO-AEFFLSMTSA-N 0 3 412.925 2.744 20 0 HFADHN CCOc1nc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981875 722109678 /nfs/dbraw/zinc/10/96/78/722109678.db2.gz VJYVAMXMZDSFPJ-DLBZAZTESA-N 0 3 403.914 2.651 20 0 HFADHN COC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164983135 722115741 /nfs/dbraw/zinc/11/57/41/722115741.db2.gz YJNIHHSTUOJBCB-FUHWJXTLSA-N 0 3 416.909 2.644 20 0 HFADHN CSc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973308 722117031 /nfs/dbraw/zinc/11/70/31/722117031.db2.gz GZOIQFXOOPRKLX-NVXWUHKLSA-N 0 3 405.955 2.974 20 0 HFADHN CCOC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1C ZINC001164972490 722122632 /nfs/dbraw/zinc/12/26/32/722122632.db2.gz FRYLJFQSSPPORB-FPOVZHCZSA-N 0 3 410.518 2.689 20 0 HFADHN COC(=O)c1ccc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974892 722123828 /nfs/dbraw/zinc/12/38/28/722123828.db2.gz ITWBOZIIDIIWSB-VQIMIIECSA-N 0 3 416.909 2.644 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973279 722138289 /nfs/dbraw/zinc/13/82/89/722138289.db2.gz BQRYRLJOACXHCS-NHCUHLMSSA-N 0 3 408.550 2.589 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973283 722138334 /nfs/dbraw/zinc/13/83/34/722138334.db2.gz BQRYRLJOACXHCS-RTWAWAEBSA-N 0 3 408.550 2.589 20 0 HFADHN COc1cccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981707 722143087 /nfs/dbraw/zinc/14/30/87/722143087.db2.gz PZXITJWJEXQBAR-WIYYLYMNSA-N 0 3 405.502 2.761 20 0 HFADHN Cc1noc(-c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982671 722144880 /nfs/dbraw/zinc/14/48/80/722144880.db2.gz RYCDOIQDYDIRNZ-PMACEKPBSA-N 0 3 406.490 2.562 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@@H]3C2)c1 ZINC001164972538 722148176 /nfs/dbraw/zinc/14/81/76/722148176.db2.gz ABIUBDYOBKOPAU-IRLDBZIGSA-N 0 3 402.502 2.661 20 0 HFADHN O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ccc(CN3CCCC3)cn1)CCO2 ZINC001165000400 722249630 /nfs/dbraw/zinc/24/96/30/722249630.db2.gz HUDXEMAZRWDZIX-HSZRJFAPSA-N 0 3 410.518 2.782 20 0 HFADHN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ncccc1CN1CCCC1)CCO2 ZINC001164999760 722250143 /nfs/dbraw/zinc/25/01/43/722250143.db2.gz BNQQWJWIKKLYDJ-QHCPKHFHSA-N 0 3 410.518 2.782 20 0 HFADHN C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793045172 1078055211 /nfs/dbraw/zinc/05/52/11/1078055211.db2.gz WPRSHEKTUULJQA-ICSRJNTNSA-N 0 3 414.550 2.985 20 0 HFADHN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790574171 1078056130 /nfs/dbraw/zinc/05/61/30/1078056130.db2.gz CCWBMZCEFXIMIU-SFHVURJKSA-N 0 3 413.559 2.705 20 0 HFADHN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000790584515 1078062092 /nfs/dbraw/zinc/06/20/92/1078062092.db2.gz SLIQIWVRWKTBNA-OALUTQOASA-N 0 3 405.539 2.555 20 0 HFADHN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc(-n4cncn4)cc3)cc2)C1=O ZINC000790607727 1078074114 /nfs/dbraw/zinc/07/41/14/1078074114.db2.gz JVAZIYUNGJGAHO-HSZRJFAPSA-N 0 3 416.485 2.782 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153498 1078091743 /nfs/dbraw/zinc/09/17/43/1078091743.db2.gz KDFWXEPFFODHNU-APWZRJJASA-N 0 3 402.926 2.759 20 0 HFADHN COC(=O)[C@H](COCc1ccccc1)Nc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001170142022 1078087162 /nfs/dbraw/zinc/08/71/62/1078087162.db2.gz PDEFCJIHOJNKPX-SFTDATJTSA-N 0 3 409.486 2.771 20 0 HFADHN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000790896545 1078175502 /nfs/dbraw/zinc/17/55/02/1078175502.db2.gz QJTXRCNLIPPJCM-RTBURBONSA-N 0 3 402.539 2.928 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC000793513350 1078196433 /nfs/dbraw/zinc/19/64/33/1078196433.db2.gz BJCLFILXRSIHQX-HXUWFJFHSA-N 0 3 405.539 2.919 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516855 1078197396 /nfs/dbraw/zinc/19/73/96/1078197396.db2.gz JCLKZTWADWWVTD-LAUBAEHRSA-N 0 3 409.502 2.763 20 0 HFADHN CN(C)C(=O)COc1ccccc1CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793603592 1078222132 /nfs/dbraw/zinc/22/21/32/1078222132.db2.gz CEQDRWAVURFOTE-HSZRJFAPSA-N 0 3 417.550 2.987 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000793609485 1078227465 /nfs/dbraw/zinc/22/74/65/1078227465.db2.gz KUUVBHSXAUOQIP-DHIUTWEWSA-N 0 3 423.557 2.656 20 0 HFADHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793710801 1078260630 /nfs/dbraw/zinc/26/06/30/1078260630.db2.gz UMFZLRUXWIGZEH-YLJYHZDGSA-N 0 3 411.550 2.710 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)N1CCCCC1 ZINC000793713415 1078261217 /nfs/dbraw/zinc/26/12/17/1078261217.db2.gz KXGXJMZJPOLMQW-GOSISDBHSA-N 0 3 419.529 2.632 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000793715388 1078262102 /nfs/dbraw/zinc/26/21/02/1078262102.db2.gz UIRTXKDTJKLKEO-CQSZACIVSA-N 0 3 401.429 2.534 20 0 HFADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793719990 1078264934 /nfs/dbraw/zinc/26/49/34/1078264934.db2.gz SPJWEXDVXOJIKV-QFIPXVFZSA-N 0 3 411.521 2.821 20 0 HFADHN C[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)c1nc2ccccc2s1 ZINC000793721624 1078266123 /nfs/dbraw/zinc/26/61/23/1078266123.db2.gz YXGSWVNSMPMFOS-NVXWUHKLSA-N 0 3 410.543 2.763 20 0 HFADHN COc1cccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1OC1CCCC1 ZINC000793703299 1078274917 /nfs/dbraw/zinc/27/49/17/1078274917.db2.gz UBKAEGLPZRNZTJ-KRWDZBQOSA-N 0 3 417.550 2.623 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccccc2F)c1)N1CCCCC1 ZINC000793703312 1078275030 /nfs/dbraw/zinc/27/50/30/1078275030.db2.gz ULKDZNKKZJTDQB-MRXNPFEDSA-N 0 3 414.481 2.620 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000793703727 1078275344 /nfs/dbraw/zinc/27/53/44/1078275344.db2.gz WLJDASJVGYQAMM-HNNXBMFYSA-N 0 3 411.468 2.844 20 0 HFADHN Cc1nc(SC(F)F)sc1CC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000793840058 1078311537 /nfs/dbraw/zinc/31/15/37/1078311537.db2.gz XOQOIWPPPAAJKB-UHFFFAOYSA-N 0 3 406.568 2.841 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793950643 1078344790 /nfs/dbraw/zinc/34/47/90/1078344790.db2.gz OZKFEACYBWWTHJ-MJGOQNOKSA-N 0 3 409.615 2.961 20 0 HFADHN CN(C)CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000747173859 1078368388 /nfs/dbraw/zinc/36/83/88/1078368388.db2.gz WSAUPJLJSQNXTJ-UHFFFAOYSA-N 0 3 401.960 2.538 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000794339439 1078419530 /nfs/dbraw/zinc/41/95/30/1078419530.db2.gz NRBHVMXQHKFKFY-UHFFFAOYSA-N 0 3 408.502 2.565 20 0 HFADHN CC(C)Cc1ncnc(NC[C@H]2CN3CCC[C@@H]3CO2)c1I ZINC000804396542 1078461637 /nfs/dbraw/zinc/46/16/37/1078461637.db2.gz JOIJKYYDCLHADK-OLZOCXBDSA-N 0 3 416.307 2.555 20 0 HFADHN C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCNC(=O)C1 ZINC001129564792 1078558565 /nfs/dbraw/zinc/55/85/65/1078558565.db2.gz ZKGOUKVUXRTVBK-YZUZCNPQSA-N 0 3 409.505 2.826 20 0 HFADHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC001129584354 1078583039 /nfs/dbraw/zinc/58/30/39/1078583039.db2.gz BNSPDJFZMIUHMN-UHFFFAOYSA-N 0 3 423.604 2.981 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)/C(=C\c1ccc(F)cc1)n1nnnc1C ZINC000804566064 1078601457 /nfs/dbraw/zinc/60/14/57/1078601457.db2.gz IUJANLCUIARTOL-CAPFRKAQSA-N 0 3 400.502 2.843 20 0 HFADHN CN(C)Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804761744 1078610688 /nfs/dbraw/zinc/61/06/88/1078610688.db2.gz MKBIWBDZENKDIJ-HXUWFJFHSA-N 0 3 416.566 2.515 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCN(CC)CC2)cc1 ZINC000747222618 1078748982 /nfs/dbraw/zinc/74/89/82/1078748982.db2.gz GNUVEFAZAQCGQC-UHFFFAOYSA-N 0 3 403.552 2.577 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000804926681 1078782665 /nfs/dbraw/zinc/78/26/65/1078782665.db2.gz NKSMDZFWIYYMFT-WOJBJXKFSA-N 0 3 402.539 2.809 20 0 HFADHN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000805074725 1078906617 /nfs/dbraw/zinc/90/66/17/1078906617.db2.gz OIEOUVMXCSMGSF-RDJZCZTQSA-N 0 3 401.429 2.632 20 0 HFADHN O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000805075254 1078907412 /nfs/dbraw/zinc/90/74/12/1078907412.db2.gz VNCJEXQFSHMMLS-AQNXPRMDSA-N 0 3 407.942 2.970 20 0 HFADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000805308305 1079031128 /nfs/dbraw/zinc/03/11/28/1079031128.db2.gz CKLZPKDZPDPDBB-LJQANCHMSA-N 0 3 400.523 2.746 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(Cl)cc1Cl ZINC000747243930 1079085205 /nfs/dbraw/zinc/08/52/05/1079085205.db2.gz VWXYSZOLQJQAPR-SNVBAGLBSA-N 0 3 407.319 2.543 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000805765450 1079266083 /nfs/dbraw/zinc/26/60/83/1079266083.db2.gz LSDWBXUPUQIQDO-MRXNPFEDSA-N 0 3 408.543 2.620 20 0 HFADHN CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000805830053 1079300186 /nfs/dbraw/zinc/30/01/86/1079300186.db2.gz WMWOFDCBQWFGMG-HKUYNNGSSA-N 0 3 415.600 2.571 20 0 HFADHN CCNC(=O)Oc1cccc(OC(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130489318 1079413098 /nfs/dbraw/zinc/41/30/98/1079413098.db2.gz CLVQBIVUANMDNK-WOJBJXKFSA-N 0 3 414.506 2.948 20 0 HFADHN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC001130518916 1079450226 /nfs/dbraw/zinc/45/02/26/1079450226.db2.gz QUXKGSZDGKDRNA-KSZLIROESA-N 0 3 409.571 2.830 20 0 HFADHN COc1ccc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)cc1OC ZINC001130541321 1079461826 /nfs/dbraw/zinc/46/18/26/1079461826.db2.gz AJDGTUXEERQWCB-UHFFFAOYSA-N 0 3 413.518 2.972 20 0 HFADHN Cn1nc2ccccc2c1C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130542498 1079463291 /nfs/dbraw/zinc/46/32/91/1079463291.db2.gz WWLPEAXUKGGOQF-UHFFFAOYSA-N 0 3 407.518 2.842 20 0 HFADHN CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000806174391 1079464120 /nfs/dbraw/zinc/46/41/20/1079464120.db2.gz WHLQGKKTBPUOBF-BEFAXECRSA-N 0 3 420.535 2.681 20 0 HFADHN CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001130529665 1079465843 /nfs/dbraw/zinc/46/58/43/1079465843.db2.gz XIVSETQPSDXLFR-VQTJNVASSA-N 0 3 402.535 2.858 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC)c(C)c2)CC1 ZINC000806149427 1079467542 /nfs/dbraw/zinc/46/75/42/1079467542.db2.gz SICKGOLEQFVTTQ-LJQANCHMSA-N 0 3 417.554 2.879 20 0 HFADHN C[C@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC001137551704 1079478056 /nfs/dbraw/zinc/47/80/56/1079478056.db2.gz OAGLIADSVXLINB-GXTWGEPZSA-N 0 3 404.864 2.852 20 0 HFADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)no1 ZINC000806207811 1079493765 /nfs/dbraw/zinc/49/37/65/1079493765.db2.gz WCEPNBKYZOMLMQ-SFHVURJKSA-N 0 3 420.579 2.514 20 0 HFADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC1CCN(Cc3ccco3)CC1)C2=O ZINC000772698697 1076756266 /nfs/dbraw/zinc/75/62/66/1076756266.db2.gz OHTWRQPHFJDFQH-OPAMFIHVSA-N 0 3 417.506 2.536 20 0 HFADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC1CCN(Cc3ccco3)CC1)C2=O ZINC000772698699 1076756334 /nfs/dbraw/zinc/75/63/34/1076756334.db2.gz OHTWRQPHFJDFQH-ZHRRBRCNSA-N 0 3 417.506 2.536 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000787315002 1076759382 /nfs/dbraw/zinc/75/93/82/1076759382.db2.gz VOXJYJOXXHLYGM-HNNXBMFYSA-N 0 3 412.987 2.863 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000787323195 1076766917 /nfs/dbraw/zinc/76/69/17/1076766917.db2.gz ARYNJTNROFFFOW-SCTDSRPQSA-N 0 3 424.586 2.527 20 0 HFADHN CC(C)CN(CCN(C)C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787323734 1076767024 /nfs/dbraw/zinc/76/70/24/1076767024.db2.gz QEFVPMUKAFMYLR-MRXNPFEDSA-N 0 3 407.559 2.794 20 0 HFADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001170072351 1076772970 /nfs/dbraw/zinc/77/29/70/1076772970.db2.gz KDNAIAPDZVIXEA-SJORKVTESA-N 0 3 405.502 2.587 20 0 HFADHN CCN(C(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)ccc1Cl)C(C)C ZINC000787507478 1076829724 /nfs/dbraw/zinc/82/97/24/1076829724.db2.gz DGIQXASKJYXKRD-OAHLLOKOSA-N 0 3 422.957 2.750 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@H]3CCCCN3C3CC3)[nH]n2)C1 ZINC000787582067 1076871943 /nfs/dbraw/zinc/87/19/43/1076871943.db2.gz ROEMKBGTMCETRS-DOTOQJQBSA-N 0 3 417.554 2.881 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752648 1076927780 /nfs/dbraw/zinc/92/77/80/1076927780.db2.gz ZJWIVUNAMJOVPN-HKUYNNGSSA-N 0 3 414.506 2.903 20 0 HFADHN CN(Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787731905 1076934399 /nfs/dbraw/zinc/93/43/99/1076934399.db2.gz UCNZCDRSXWDXGS-UHFFFAOYSA-N 0 3 417.959 2.819 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767024 1076941050 /nfs/dbraw/zinc/94/10/50/1076941050.db2.gz YLSBNCYFIVHYPA-MSYCTHLASA-N 0 3 418.534 2.741 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000787895802 1077002945 /nfs/dbraw/zinc/00/29/45/1077002945.db2.gz IFPBAVOIBXKPAS-UHFFFAOYSA-N 0 3 402.882 2.577 20 0 HFADHN CC1(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000772718449 1077098401 /nfs/dbraw/zinc/09/84/01/1077098401.db2.gz JKKSNSMIAHLPSH-UHFFFAOYSA-N 0 3 421.497 2.817 20 0 HFADHN CN1CC[C@@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000788288192 1077099012 /nfs/dbraw/zinc/09/90/12/1077099012.db2.gz ZDXVQFGXXWZZJN-WOJBJXKFSA-N 0 3 417.531 2.677 20 0 HFADHN CC1(C)CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133610 /nfs/dbraw/zinc/13/36/10/1077133610.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 0 3 416.591 2.748 20 0 HFADHN CC(C)(C)OC(=O)N1CCN(CCN2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000788494360 1077181234 /nfs/dbraw/zinc/18/12/34/1077181234.db2.gz NMKONMPBGQXEOO-UHFFFAOYSA-N 0 3 422.614 2.700 20 0 HFADHN CC(C)(C)OC(=O)N1CCN(CCCN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000788562554 1077201815 /nfs/dbraw/zinc/20/18/15/1077201815.db2.gz KWRISEMYZICKBE-LJQANCHMSA-N 0 3 418.517 2.566 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788629258 1077235682 /nfs/dbraw/zinc/23/56/82/1077235682.db2.gz ZPAWLNZDGIWNBI-KRWDZBQOSA-N 0 3 411.568 2.816 20 0 HFADHN COC(=O)CS(=O)(=O)Cc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000788667643 1077260798 /nfs/dbraw/zinc/26/07/98/1077260798.db2.gz GZFBSHFRJPVEEZ-FQEVSTJZSA-N 0 3 403.500 2.647 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788670246 1077261579 /nfs/dbraw/zinc/26/15/79/1077261579.db2.gz DCSAGEYZKNFKQX-UHFFFAOYSA-N 0 3 411.568 2.816 20 0 HFADHN C[C@H](Nc1ccc(OCCN2CCN(C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788721244 1077271633 /nfs/dbraw/zinc/27/16/33/1077271633.db2.gz YQWWOSXWVLRRFG-SFHVURJKSA-N 0 3 418.582 2.980 20 0 HFADHN CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788800388 1077291769 /nfs/dbraw/zinc/29/17/69/1077291769.db2.gz ZHFXXGMQKFZUJI-SFHVURJKSA-N 0 3 403.523 2.959 20 0 HFADHN CC(C)(CNC(=O)c1cc(S(C)(=O)=O)ccc1Br)CN1CCCC1 ZINC000791226131 1077335702 /nfs/dbraw/zinc/33/57/02/1077335702.db2.gz VCMZOLIUWIOXKO-UHFFFAOYSA-N 0 3 417.369 2.704 20 0 HFADHN COc1ccc2nc(CNCCN3CCN(C(=O)OC(C)(C)C)CC3)sc2c1 ZINC000788960853 1077364187 /nfs/dbraw/zinc/36/41/87/1077364187.db2.gz WSUWJSWAIIQWTQ-UHFFFAOYSA-N 0 3 406.552 2.947 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(N3CCOC3=O)ccc2F)c1 ZINC000791339376 1077379439 /nfs/dbraw/zinc/37/94/39/1077379439.db2.gz LEUBPQLTEDMPPP-UHFFFAOYSA-N 0 3 415.465 2.995 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000791344113 1077380311 /nfs/dbraw/zinc/38/03/11/1077380311.db2.gz ATISESWREKHTQH-JOCHJYFZSA-N 0 3 423.529 2.935 20 0 HFADHN C[C@H](OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1nnnn1C1CC1 ZINC000791344889 1077380653 /nfs/dbraw/zinc/38/06/53/1077380653.db2.gz GIGMLHYNVHOORC-CABZTGNLSA-N 0 3 410.261 2.972 20 0 HFADHN C[C@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nnnn1C1CC1 ZINC000791347049 1077381208 /nfs/dbraw/zinc/38/12/08/1077381208.db2.gz WGYLAGVYVGPDTN-JOYOIKCWSA-N 0 3 410.261 2.972 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](C)N(C)Cc3ccccc3)C2)c1 ZINC000791590037 1077494160 /nfs/dbraw/zinc/49/41/60/1077494160.db2.gz SZQGUQAJZBMIDZ-ZHRRBRCNSA-N 0 3 411.502 2.834 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000791707675 1077521801 /nfs/dbraw/zinc/52/18/01/1077521801.db2.gz YCMPTOQLKWLDHB-YROCYRMSSA-N 0 3 423.513 2.834 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000791982051 1077622035 /nfs/dbraw/zinc/62/20/35/1077622035.db2.gz ODUKSQXADHDSHX-AGHHOFFYSA-N 0 3 404.514 2.573 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000791964454 1077636692 /nfs/dbraw/zinc/63/66/92/1077636692.db2.gz QDRGJEBQWFAKSA-UHFFFAOYSA-N 0 3 420.476 2.712 20 0 HFADHN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000789558208 1077675548 /nfs/dbraw/zinc/67/55/48/1077675548.db2.gz LXAHUEQHXBVXAM-UHFFFAOYSA-N 0 3 419.529 2.752 20 0 HFADHN Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(CN(C)C)c3)C2=O)c(C)c1 ZINC000789624155 1077694400 /nfs/dbraw/zinc/69/44/00/1077694400.db2.gz FTMQTDSOIKOYGO-HXUWFJFHSA-N 0 3 422.529 2.534 20 0 HFADHN Cc1cc(C)c(N2CCC(NC(=O)C(=O)Nc3c(F)cccc3F)C2=O)c(C)c1 ZINC000789626375 1077697791 /nfs/dbraw/zinc/69/77/91/1077697791.db2.gz PSEBZGKLWBKZPS-MRXNPFEDSA-N 0 3 401.413 2.750 20 0 HFADHN Cc1ccc([C@@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1 ZINC000792096250 1077713507 /nfs/dbraw/zinc/71/35/07/1077713507.db2.gz FIJQLNMUEVRXTI-HXUWFJFHSA-N 0 3 418.582 2.657 20 0 HFADHN O=C(NCc1cn(-c2ccccc2)nn1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792128316 1077715841 /nfs/dbraw/zinc/71/58/41/1077715841.db2.gz AENWCYWDJHXZDC-UHFFFAOYSA-N 0 3 422.455 2.872 20 0 HFADHN C[C@@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)CC1(C)OCCO1 ZINC000792134462 1077718371 /nfs/dbraw/zinc/71/83/71/1077718371.db2.gz SUTXOOWPQIYSBN-IUDNXUCKSA-N 0 3 407.477 2.880 20 0 HFADHN CC(C)CC[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000789692569 1077730632 /nfs/dbraw/zinc/73/06/32/1077730632.db2.gz AHSGZHTVBBSNHD-AABGKKOBSA-N 0 3 421.969 2.913 20 0 HFADHN CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000792234825 1077757115 /nfs/dbraw/zinc/75/71/15/1077757115.db2.gz GQFJIZUBIONMRC-PXNSSMCTSA-N 0 3 418.607 2.864 20 0 HFADHN CCc1nnc(C2CCN(C(=O)Nc3ccc(N4CCN(CC)CC4)cc3)CC2)[nH]1 ZINC000792211084 1077766726 /nfs/dbraw/zinc/76/67/26/1077766726.db2.gz XWTUJZCGPNDXMW-UHFFFAOYSA-N 0 3 411.554 2.921 20 0 HFADHN C[C@H]1CN(CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792216734 1077770053 /nfs/dbraw/zinc/77/00/53/1077770053.db2.gz XJPLDISVXIOUCX-IRXDYDNUSA-N 0 3 420.554 2.977 20 0 HFADHN CC(C)N1CCN(C2CCN(C(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792280704 1077773414 /nfs/dbraw/zinc/77/34/14/1077773414.db2.gz HACSSNFXYFVKQQ-UHFFFAOYSA-N 0 3 413.335 2.614 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000789747423 1077779630 /nfs/dbraw/zinc/77/96/30/1077779630.db2.gz HROROXYBTAIPDO-UHFFFAOYSA-N 0 3 402.882 2.577 20 0 HFADHN CC[C@H](C)[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260164 1077784633 /nfs/dbraw/zinc/78/46/33/1077784633.db2.gz NDDURUQEAGEJCY-YRPNKDGESA-N 0 3 418.578 2.990 20 0 HFADHN COc1ccccc1[C@H](O)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792276923 1077791315 /nfs/dbraw/zinc/79/13/15/1077791315.db2.gz IEVBVJOHENPCQY-VMBOVVBDSA-N 0 3 415.456 2.833 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCSC(C)(C)CC3)cc2)CC1 ZINC000789797299 1077802551 /nfs/dbraw/zinc/80/25/51/1077802551.db2.gz SIAHMXLAFWONSW-UHFFFAOYSA-N 0 3 404.580 2.511 20 0 HFADHN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000772794366 1077820528 /nfs/dbraw/zinc/82/05/28/1077820528.db2.gz CHDKPLOTPSQECD-IBGZPJMESA-N 0 3 403.523 2.946 20 0 HFADHN COc1cccc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1F ZINC000792399843 1077835306 /nfs/dbraw/zinc/83/53/06/1077835306.db2.gz SJMCKIMYCZBJGP-UHFFFAOYSA-N 0 3 417.403 2.694 20 0 HFADHN CC[C@@H]1C[C@H](n2cncc2C[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194071 1077911184 /nfs/dbraw/zinc/91/11/84/1077911184.db2.gz URAXYOMGRQTJGI-POAQFYNOSA-N 0 3 424.501 2.937 20 0 HFADHN COC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)[C@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264824 1077921405 /nfs/dbraw/zinc/92/14/05/1077921405.db2.gz ZADJHFYTTCIOJD-APWZRJJASA-N 0 3 412.486 2.730 20 0 HFADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049427 1077929607 /nfs/dbraw/zinc/92/96/07/1077929607.db2.gz GIGXZOJELFBBQI-PMACEKPBSA-N 0 3 414.594 2.572 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051408 1077931570 /nfs/dbraw/zinc/93/15/70/1077931570.db2.gz PCQLMJLPQVFIBM-IRXDYDNUSA-N 0 3 411.568 2.862 20 0 HFADHN COc1ccc(OC)c(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000747090188 1078017710 /nfs/dbraw/zinc/01/77/10/1078017710.db2.gz HTBRFSFFSYPPSR-MRXNPFEDSA-N 0 3 421.538 2.557 20 0 HFADHN C[C@@H]1OCC[C@]12CN(Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407404 1078019951 /nfs/dbraw/zinc/01/99/51/1078019951.db2.gz RPMLETFEOMUGCB-TYILLQQXSA-N 0 3 407.308 2.990 20 0 HFADHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937846 1078029416 /nfs/dbraw/zinc/02/94/16/1078029416.db2.gz ZZRYVYSXWZBMKY-JJRVBVJISA-N 0 3 410.474 2.606 20 0 HFADHN CCc1ccc([C@@H](CNC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)N(C)C)cc1 ZINC000806308573 1079562358 /nfs/dbraw/zinc/56/23/58/1079562358.db2.gz VVXQRUAFQROBRA-APWZRJJASA-N 0 3 415.456 2.989 20 0 HFADHN COc1ccccc1[C@@H](CNC(=O)N1CCN2CCC1CC2)NC(=O)OC(C)(C)C ZINC000806460738 1079733962 /nfs/dbraw/zinc/73/39/62/1079733962.db2.gz MGXMAIXLMXXXNM-GOSISDBHSA-N 0 3 418.538 2.751 20 0 HFADHN CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000806474687 1079761257 /nfs/dbraw/zinc/76/12/57/1079761257.db2.gz DBUCQHBGWWENFG-NZSAHSFTSA-N 0 3 421.632 2.635 20 0 HFADHN CNC(=O)OC[C@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000806600665 1079844072 /nfs/dbraw/zinc/84/40/72/1079844072.db2.gz XGFHNWHBCCQGNI-LJQANCHMSA-N 0 3 404.580 2.736 20 0 HFADHN CC(C)Cc1ccc([C@@H](CNC(=S)NCCCN2CCOCC2)N(C)C)cc1 ZINC000806603094 1079844654 /nfs/dbraw/zinc/84/46/54/1079844654.db2.gz GKKUBWPMOPVDTA-OAQYLSRUSA-N 0 3 406.640 2.674 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806735635 1079960907 /nfs/dbraw/zinc/96/09/07/1079960907.db2.gz ATKVMCMMGFRPAS-ZLNRFVROSA-N 0 3 409.530 2.795 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761059 1079979895 /nfs/dbraw/zinc/97/98/95/1079979895.db2.gz XUARKTHGLCASIR-IEBWSBKVSA-N 0 3 420.554 2.997 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812424 1080025193 /nfs/dbraw/zinc/02/51/93/1080025193.db2.gz JOKPQXFBHMZZRE-HKUYNNGSSA-N 0 3 420.554 2.997 20 0 HFADHN C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)CN1CCN(C)CC1 ZINC000806865123 1080067125 /nfs/dbraw/zinc/06/71/25/1080067125.db2.gz PRGUFJSAOCQJCE-XUZZJYLKSA-N 0 3 424.589 2.815 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000806890973 1080099011 /nfs/dbraw/zinc/09/90/11/1080099011.db2.gz GDNBCROSVZQKFM-QGZVFWFLSA-N 0 3 408.543 2.900 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](C)C1 ZINC000807088375 1080267173 /nfs/dbraw/zinc/26/71/73/1080267173.db2.gz AFTGEOKISSSQRK-LQWHRVPQSA-N 0 3 401.551 2.507 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092159 1080272377 /nfs/dbraw/zinc/27/23/77/1080272377.db2.gz SVKZDPGOXXLNPU-PMACEKPBSA-N 0 3 401.551 2.507 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000807119231 1080294899 /nfs/dbraw/zinc/29/48/99/1080294899.db2.gz OYJIGHKXCWCHEL-NRFANRHFSA-N 0 3 407.558 2.541 20 0 HFADHN CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000807149631 1080307037 /nfs/dbraw/zinc/30/70/37/1080307037.db2.gz FVHOGSOSOBWCJS-HNAYVOBHSA-N 0 3 408.518 2.985 20 0 HFADHN Cc1nc(-c2ccccc2NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)no1 ZINC000807413073 1080609758 /nfs/dbraw/zinc/60/97/58/1080609758.db2.gz BBKUUIDCAMRCEO-UHFFFAOYSA-N 0 3 411.462 2.557 20 0 HFADHN CN(CCCN(C)C(=O)C(=O)Nc1ccc(SC(F)F)nc1)Cc1ccco1 ZINC000807413878 1080611883 /nfs/dbraw/zinc/61/18/83/1080611883.db2.gz YFBCMVOTYZUCBG-UHFFFAOYSA-N 0 3 412.462 2.908 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441118 1080661814 /nfs/dbraw/zinc/66/18/14/1080661814.db2.gz AGJJHTUNYIOYPT-OGHNNQOOSA-N 0 3 405.417 2.846 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389434 718824886 /nfs/dbraw/zinc/82/48/86/718824886.db2.gz IIIBMZNALAPJRX-IRXDYDNUSA-N 0 3 413.591 2.733 20 0 HFADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001164389856 718825245 /nfs/dbraw/zinc/82/52/45/718825245.db2.gz JYWSOFKHKPZILV-ROUUACIJSA-N 0 3 409.559 2.987 20 0 HFADHN CC(C)c1ccc(-c2cc(C(F)(F)N3CCNC(=O)C34CNC4)c(Cl)nn2)cc1 ZINC001164415048 718879362 /nfs/dbraw/zinc/87/93/62/718879362.db2.gz ZPMQAHPAQXVVSZ-UHFFFAOYSA-N 0 3 421.879 2.744 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164689817 719742535 /nfs/dbraw/zinc/74/25/35/719742535.db2.gz KDMXZGYIALVYHB-UHFFFAOYSA-N 0 3 422.558 2.934 20 0 HFADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738991 720667927 /nfs/dbraw/zinc/66/79/27/720667927.db2.gz LWMCPIZPCJNOPM-CHWSQXEVSA-N 0 3 400.845 2.554 20 0 HFADHN Clc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164741491 720698851 /nfs/dbraw/zinc/69/88/51/720698851.db2.gz TZHGERYYYDETRI-IRXDYDNUSA-N 0 3 408.893 2.929 20 0 HFADHN c1cn(C2CCCC2)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737799 720709228 /nfs/dbraw/zinc/70/92/28/720709228.db2.gz GYFPNEIXKFYXQV-QZTJIDSGSA-N 0 3 405.506 2.678 20 0 HFADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737170 720727043 /nfs/dbraw/zinc/72/70/43/720727043.db2.gz AJBREFAWMFIZCD-MSOLQXFVSA-N 0 3 419.485 2.543 20 0 HFADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744223 720800264 /nfs/dbraw/zinc/80/02/64/720800264.db2.gz IBYDIQUZSRVCIW-KGLIPLIRSA-N 0 3 416.407 2.838 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869510 721050234 /nfs/dbraw/zinc/05/02/34/721050234.db2.gz TZZALWXPSYPRFP-RTWAWAEBSA-N 0 3 421.545 2.582 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CSC2 ZINC001164866242 721069917 /nfs/dbraw/zinc/06/99/17/721069917.db2.gz DALFYFWIGOTQKY-GJZGRUSLSA-N 0 3 403.939 2.752 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771348 721126775 /nfs/dbraw/zinc/12/67/75/721126775.db2.gz SGQVHTKMCLSLEA-IRXDYDNUSA-N 0 3 417.941 2.912 20 0 HFADHN COc1cc2c(cc1Cl)ncnc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164768982 721137698 /nfs/dbraw/zinc/13/76/98/721137698.db2.gz OOTFLMHHBBHPPL-HZPDHXFCSA-N 0 3 412.925 2.984 20 0 HFADHN COc1cc2ccnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771808 721143728 /nfs/dbraw/zinc/14/37/28/721143728.db2.gz UFDXBPCRFDGVKM-RTBURBONSA-N 0 3 407.518 2.944 20 0 HFADHN CSc1nc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164765015 721169948 /nfs/dbraw/zinc/16/99/48/721169948.db2.gz HLGFGRDFHACLJZ-KGLIPLIRSA-N 0 3 401.565 2.500 20 0 HFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164877023 721176256 /nfs/dbraw/zinc/17/62/56/721176256.db2.gz NYRYRBCZNHKSTJ-VQTJNVASSA-N 0 3 418.501 2.884 20 0 HFADHN CC1CCN(C(=O)c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2)CC1 ZINC001164766990 721198057 /nfs/dbraw/zinc/19/80/57/721198057.db2.gz JVEMCBCTVWTSQQ-FCHUYYIVSA-N 0 3 422.577 2.646 20 0 HFADHN CC(C)c1noc(-c2ccnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2)n1 ZINC001164773825 721223962 /nfs/dbraw/zinc/22/39/62/721223962.db2.gz XFGKEVMIBUPZMX-RTBURBONSA-N 0 3 407.522 2.947 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@H]3C2)cn1 ZINC001164761521 721245739 /nfs/dbraw/zinc/24/57/39/721245739.db2.gz JHOYFEMBFDCYFP-JKSUJKDBSA-N 0 3 405.481 2.942 20 0 HFADHN CN(Cc1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164890177 721351941 /nfs/dbraw/zinc/35/19/41/721351941.db2.gz ZZAOOJBWKMZRAG-IRLDBZIGSA-N 0 3 406.530 2.653 20 0 HFADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908154 721538586 /nfs/dbraw/zinc/53/85/86/721538586.db2.gz PDABEDQOTVMRKF-MJGOQNOKSA-N 0 3 422.460 2.897 20 0 HFADHN O=C(c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCC1 ZINC001164907336 721544849 /nfs/dbraw/zinc/54/48/49/721544849.db2.gz MYPFDAVEZILAHJ-PZJWPPBQSA-N 0 3 410.493 2.799 20 0 HFADHN CN(C)C(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904186 721699312 /nfs/dbraw/zinc/69/93/12/721699312.db2.gz DQPAQKMKQNYXDA-OAQYLSRUSA-N 0 3 415.488 2.916 20 0 HFADHN c1cc(CN2CCOCC3(CCN(c4nccc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164963285 722057559 /nfs/dbraw/zinc/05/75/59/722057559.db2.gz VNNPNDDSWCOMHF-UHFFFAOYSA-N 0 3 422.577 2.981 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3C2)c1 ZINC001164984066 722099698 /nfs/dbraw/zinc/09/96/98/722099698.db2.gz ROUQWTURJZFLBU-SFTDATJTSA-N 0 3 408.550 2.589 20 0 HFADHN COC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985889 722102760 /nfs/dbraw/zinc/10/27/60/722102760.db2.gz XLAHKDARRWYHCX-WMZOPIPTSA-N 0 3 416.909 2.644 20 0 HFADHN CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984654 722132343 /nfs/dbraw/zinc/13/23/43/722132343.db2.gz YFWOFKIYGAJMTI-WOJBJXKFSA-N 0 3 410.518 2.689 20 0 HFADHN COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979651 722134540 /nfs/dbraw/zinc/13/45/40/722134540.db2.gz LRGBNHCYEVLNSO-PIDMMKLOSA-N 0 3 422.529 2.699 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@@H]3C2)c1 ZINC001164978895 722145267 /nfs/dbraw/zinc/14/52/67/722145267.db2.gz KLWYSJOTILGKRO-IRLDBZIGSA-N 0 3 402.502 2.661 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@@H]3C2)c1 ZINC001164972535 722148242 /nfs/dbraw/zinc/14/82/42/722148242.db2.gz ABIUBDYOBKOPAU-IFMALSPDSA-N 0 3 402.502 2.661 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3C2)c1 ZINC001164977087 722149655 /nfs/dbraw/zinc/14/96/55/722149655.db2.gz IRLHXPLUGVWHGZ-FCHUYYIVSA-N 0 3 422.577 2.979 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995938 1078044170 /nfs/dbraw/zinc/04/41/70/1078044170.db2.gz CTFKKUPSJNXVBE-YFVAEKQCSA-N 0 3 414.550 2.817 20 0 HFADHN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000790501011 1078046060 /nfs/dbraw/zinc/04/60/60/1078046060.db2.gz DNBFGJNNINMEAO-MJGOQNOKSA-N 0 3 420.554 2.635 20 0 HFADHN NS(=O)(=O)c1ccc(CCNCc2cnn(Cc3ccccc3)c2Cl)cc1 ZINC000790512602 1078048508 /nfs/dbraw/zinc/04/85/08/1078048508.db2.gz BDAUEURVVSRPEB-UHFFFAOYSA-N 0 3 404.923 2.565 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)nc1Br ZINC000793016463 1078049892 /nfs/dbraw/zinc/04/98/92/1078049892.db2.gz TVSYKPNXSSUAPN-CQSZACIVSA-N 0 3 419.323 2.728 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)nc1Br ZINC000793049126 1078056402 /nfs/dbraw/zinc/05/64/02/1078056402.db2.gz CDJUTGOZHJNSKH-CJNGLKHVSA-N 0 3 419.323 2.899 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000790583657 1078061697 /nfs/dbraw/zinc/06/16/97/1078061697.db2.gz OAAFFFSMPQSEME-INIZCTEOSA-N 0 3 406.328 2.880 20 0 HFADHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1nc(Br)ccc1Br ZINC000790607829 1078074100 /nfs/dbraw/zinc/07/41/00/1078074100.db2.gz FYVRJTWPXJPIMT-SNVBAGLBSA-N 0 3 403.118 2.821 20 0 HFADHN C[C@@H]1OCC[C@@]12CN(C(=S)NC1CCN(Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608680 1078074762 /nfs/dbraw/zinc/07/47/62/1078074762.db2.gz NPIUGJFCZPGARM-KGVIQGDOSA-N 0 3 403.592 2.794 20 0 HFADHN C[C@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793146816 1078089755 /nfs/dbraw/zinc/08/97/55/1078089755.db2.gz BXYIMPCLEMMZBH-JTSKRJEESA-N 0 3 400.523 2.737 20 0 HFADHN C[C@@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793146822 1078090036 /nfs/dbraw/zinc/09/00/36/1078090036.db2.gz BXYIMPCLEMMZBH-VGSWGCGISA-N 0 3 400.523 2.737 20 0 HFADHN Cc1cc(C)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1I ZINC000793290819 1078119512 /nfs/dbraw/zinc/11/95/12/1078119512.db2.gz IAFWZSJQCQRUDK-UONOGXRCSA-N 0 3 414.287 2.501 20 0 HFADHN CCN1CCN(CCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793497103 1078202239 /nfs/dbraw/zinc/20/22/39/1078202239.db2.gz IPMZUAWEAJFKSD-UHFFFAOYSA-N 0 3 416.566 2.742 20 0 HFADHN CN(C)C(=O)COc1ccccc1CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793603593 1078222244 /nfs/dbraw/zinc/22/22/44/1078222244.db2.gz CEQDRWAVURFOTE-QHCPKHFHSA-N 0 3 417.550 2.987 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1)N1CCCCC1 ZINC000793719401 1078264123 /nfs/dbraw/zinc/26/41/23/1078264123.db2.gz DRRVYUFFHOODOB-SFHVURJKSA-N 0 3 401.551 2.554 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000793723325 1078266155 /nfs/dbraw/zinc/26/61/55/1078266155.db2.gz HIAVSSHNDBWSKC-UHFFFAOYSA-N 0 3 422.573 2.536 20 0 HFADHN C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1nc2ccccc2s1 ZINC000793721625 1078266261 /nfs/dbraw/zinc/26/62/61/1078266261.db2.gz YXGSWVNSMPMFOS-RDJZCZTQSA-N 0 3 410.543 2.763 20 0 HFADHN COc1ccccc1C1(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCCC1 ZINC000793729415 1078268748 /nfs/dbraw/zinc/26/87/48/1078268748.db2.gz WGUPZJNXAFZOBJ-GOSISDBHSA-N 0 3 401.551 2.614 20 0 HFADHN C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000793695190 1078271332 /nfs/dbraw/zinc/27/13/32/1078271332.db2.gz MKRMLKCFJQPCNF-OAQYLSRUSA-N 0 3 423.557 2.737 20 0 HFADHN COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)ccc21 ZINC000793909311 1078335138 /nfs/dbraw/zinc/33/51/38/1078335138.db2.gz AZNBSDRHMNQUTL-LJQANCHMSA-N 0 3 408.502 2.815 20 0 HFADHN COCCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)C1CCN(C)CC1 ZINC000794041801 1078364155 /nfs/dbraw/zinc/36/41/55/1078364155.db2.gz KOSOULNAFUNGJK-SFHVURJKSA-N 0 3 406.445 2.687 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001170442903 1078372571 /nfs/dbraw/zinc/37/25/71/1078372571.db2.gz MTLYOOXFDSGERV-LJQANCHMSA-N 0 3 411.550 2.872 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000794342875 1078420474 /nfs/dbraw/zinc/42/04/74/1078420474.db2.gz HVYDOAKQNBLUIE-UHFFFAOYSA-N 0 3 418.538 2.824 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC000794346682 1078421558 /nfs/dbraw/zinc/42/15/58/1078421558.db2.gz WLNLMSWCSTYMTC-IBGZPJMESA-N 0 3 422.529 2.717 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000794403258 1078436555 /nfs/dbraw/zinc/43/65/55/1078436555.db2.gz GNDSJXXQQJJTFN-OAHLLOKOSA-N 0 3 400.306 2.504 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001129505267 1078498967 /nfs/dbraw/zinc/49/89/67/1078498967.db2.gz CNVNNYSBJYGYPF-WBVHZDCISA-N 0 3 401.457 2.954 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000804496010 1078552088 /nfs/dbraw/zinc/55/20/88/1078552088.db2.gz UKORGUGWSRVMGU-KGLIPLIRSA-N 0 3 407.563 2.675 20 0 HFADHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524864 1078564474 /nfs/dbraw/zinc/56/44/74/1078564474.db2.gz XISAPYIDIOIHBJ-DHVPZBTDSA-N 0 3 419.566 2.534 20 0 HFADHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC001129906075 1078578353 /nfs/dbraw/zinc/57/83/53/1078578353.db2.gz WABODPORWRTOPR-MSOLQXFVSA-N 0 3 407.580 2.724 20 0 HFADHN O=C(Nc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1)Nc1ccccc1 ZINC000747214713 1078634420 /nfs/dbraw/zinc/63/44/20/1078634420.db2.gz AQXRGNIPXRPLFN-CVEARBPZSA-N 0 3 400.504 2.985 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(O)(c3c(F)cccc3F)CC2)n1 ZINC000804623959 1078674882 /nfs/dbraw/zinc/67/48/82/1078674882.db2.gz FQHAEAATNRTXHL-UHFFFAOYSA-N 0 3 406.481 2.702 20 0 HFADHN CCN(c1ccnc(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736239 1078682927 /nfs/dbraw/zinc/68/29/27/1078682927.db2.gz YJYSUZSGIONOIO-RBUKOAKNSA-N 0 3 411.554 2.653 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1 ZINC000804631591 1078684701 /nfs/dbraw/zinc/68/47/01/1078684701.db2.gz XIFYMDWRGNRIBJ-UHFFFAOYSA-N 0 3 407.563 2.819 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)c1cccc(OC)c1 ZINC000804900038 1078755755 /nfs/dbraw/zinc/75/57/55/1078755755.db2.gz XAXKPTNCAYHDFL-FQEVSTJZSA-N 0 3 420.554 2.856 20 0 HFADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(Cl)nc3C)cc2)CC1 ZINC000804950596 1078778508 /nfs/dbraw/zinc/77/85/08/1078778508.db2.gz GEZAAZUUSDHSKZ-UHFFFAOYSA-N 0 3 422.982 2.659 20 0 HFADHN COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000805110752 1078895135 /nfs/dbraw/zinc/89/51/35/1078895135.db2.gz HAIFSCCMUJSNQL-FZMZJTMJSA-N 0 3 421.332 2.844 20 0 HFADHN O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747230935 1078945582 /nfs/dbraw/zinc/94/55/82/1078945582.db2.gz DBQUIUUHDRWMIG-WMZOPIPTSA-N 0 3 408.589 2.914 20 0 HFADHN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747232020 1078949984 /nfs/dbraw/zinc/94/99/84/1078949984.db2.gz PTXRFFLQUYTDRD-FKBYEOEOSA-N 0 3 407.514 2.527 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199269 1078952684 /nfs/dbraw/zinc/95/26/84/1078952684.db2.gz QEWXWWUQJYRPRX-CDMIOBSGSA-N 0 3 406.571 2.902 20 0 HFADHN C[C@H](C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000805201955 1078953135 /nfs/dbraw/zinc/95/31/35/1078953135.db2.gz KITCYLVCNJCBHQ-OLZOCXBDSA-N 0 3 419.410 2.766 20 0 HFADHN C[C@H](C(=O)N(CCN(C)C(=O)[C@H](C)C(F)(F)F)CCN1CCCC1)C(F)(F)F ZINC000805201960 1078953149 /nfs/dbraw/zinc/95/31/49/1078953149.db2.gz KITCYLVCNJCBHQ-QWHCGFSZSA-N 0 3 419.410 2.766 20 0 HFADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805180533 1078964903 /nfs/dbraw/zinc/96/49/03/1078964903.db2.gz KUIRLNKUINSJTO-WMZHIEFXSA-N 0 3 416.610 2.724 20 0 HFADHN C[C@@]1(CNC(=O)C(=O)NCCc2ccc(Cl)nc2)CCCN1Cc1ccccc1 ZINC000805197970 1078971030 /nfs/dbraw/zinc/97/10/30/1078971030.db2.gz JYHPRIVTYGJXPJ-QFIPXVFZSA-N 0 3 414.937 2.565 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000805282436 1079008650 /nfs/dbraw/zinc/00/86/50/1079008650.db2.gz NZMSAUBQUSQKJT-PMACEKPBSA-N 0 3 402.539 2.763 20 0 HFADHN COC[C@]1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000805365826 1079048973 /nfs/dbraw/zinc/04/89/73/1079048973.db2.gz YRVGDLPVIJJARB-XMSQKQJNSA-N 0 3 424.586 2.719 20 0 HFADHN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1 ZINC000747242259 1079066391 /nfs/dbraw/zinc/06/63/91/1079066391.db2.gz HKIBUJWGMHSABB-KRWDZBQOSA-N 0 3 412.552 2.517 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(Cl)cn3C)cc2)CC1 ZINC000805787759 1079253572 /nfs/dbraw/zinc/25/35/72/1079253572.db2.gz YWWYVAMERBLOPK-UHFFFAOYSA-N 0 3 404.898 2.616 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(OCC(N)=O)cc1)C2 ZINC000805794610 1079258835 /nfs/dbraw/zinc/25/88/35/1079258835.db2.gz XONAMYJYUOUAEV-JOCHJYFZSA-N 0 3 403.523 2.774 20 0 HFADHN O=C(c1cccc(CN2CCCC2)c1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000805868354 1079311510 /nfs/dbraw/zinc/31/15/10/1079311510.db2.gz CBGVPPMOEDHFKI-UHFFFAOYSA-N 0 3 408.545 2.557 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)N(C)Cc1ccccc1 ZINC000805941895 1079344236 /nfs/dbraw/zinc/34/42/36/1079344236.db2.gz CFGJAUNFBAORJY-CVDCTZTESA-N 0 3 423.557 2.907 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000747281526 1079353070 /nfs/dbraw/zinc/35/30/70/1079353070.db2.gz KRCOMQOPCOOTJU-KRWDZBQOSA-N 0 3 420.506 2.755 20 0 HFADHN CCNC(=O)Oc1cccc(OC(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130489317 1079413072 /nfs/dbraw/zinc/41/30/72/1079413072.db2.gz CLVQBIVUANMDNK-VQTJNVASSA-N 0 3 414.506 2.948 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3cccc4nccnc43)cc2)CC1 ZINC001130542231 1079462784 /nfs/dbraw/zinc/46/27/84/1079462784.db2.gz RFZDBCZEJCFWGN-UHFFFAOYSA-N 0 3 405.502 2.898 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CC(=O)N(C)[C@@H]3c3ccccc3)cc2)CC1 ZINC000806153759 1079469720 /nfs/dbraw/zinc/46/97/20/1079469720.db2.gz VWZFMXVAYODHBI-QFIPXVFZSA-N 0 3 407.518 2.833 20 0 HFADHN C[C@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000806182952 1079477123 /nfs/dbraw/zinc/47/71/23/1079477123.db2.gz IFSYLRAHTXUGRG-WMZOPIPTSA-N 0 3 415.515 2.757 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000787332483 1076744816 /nfs/dbraw/zinc/74/48/16/1076744816.db2.gz LNDJXQIMLBDQKC-LMMKCTJWSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322286 1076766333 /nfs/dbraw/zinc/76/63/33/1076766333.db2.gz CZESIGJXWQVRAU-RCCFBDPRSA-N 0 3 424.586 2.717 20 0 HFADHN O=C(CCNS(=O)(=O)c1ccccc1F)OCC1CCN(Cc2ccco2)CC1 ZINC000772699825 1076783404 /nfs/dbraw/zinc/78/34/04/1076783404.db2.gz ZCEQJHIAPQXEJU-UHFFFAOYSA-N 0 3 424.494 2.543 20 0 HFADHN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000746677671 1076792105 /nfs/dbraw/zinc/79/21/05/1076792105.db2.gz SDGIANYKBAKLEH-JKSUJKDBSA-N 0 3 400.548 2.770 20 0 HFADHN COc1cc([C@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1OC(C)C ZINC000787869299 1076966604 /nfs/dbraw/zinc/96/66/04/1076966604.db2.gz BAQARPIWJKNDDH-IRXDYDNUSA-N 0 3 405.539 2.650 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)N1CCCCC1 ZINC000787869805 1076967596 /nfs/dbraw/zinc/96/75/96/1076967596.db2.gz DHKAERZRYOAOMY-MOPGFXCFSA-N 0 3 424.545 2.828 20 0 HFADHN Cn1cc(N2CCC[C@H](OC(=O)C3(C)CCN(Cc4ccccc4)CC3)C2=O)cn1 ZINC000772712202 1077040187 /nfs/dbraw/zinc/04/01/87/1077040187.db2.gz VRGVCZVEIYBABN-FQEVSTJZSA-N 0 3 410.518 2.761 20 0 HFADHN CC(C)(C)SCCNC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000788366363 1077128550 /nfs/dbraw/zinc/12/85/50/1077128550.db2.gz XAKJOBSDFBOXQB-UHFFFAOYSA-N 0 3 409.518 2.556 20 0 HFADHN Cc1cccc(CN2CCN(CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000788468785 1077169621 /nfs/dbraw/zinc/16/96/21/1077169621.db2.gz BCPDCUJSWPRAER-UHFFFAOYSA-N 0 3 402.583 2.665 20 0 HFADHN Cn1ccc(N2CCC[C@@H](OC(=O)C3(C)CCN(Cc4ccccc4)CC3)C2=O)n1 ZINC000772719851 1077172152 /nfs/dbraw/zinc/17/21/52/1077172152.db2.gz XBIGBPZTWSYFLZ-LJQANCHMSA-N 0 3 410.518 2.761 20 0 HFADHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cnc1Br ZINC000788514985 1077187958 /nfs/dbraw/zinc/18/79/58/1077187958.db2.gz BADYLTMTBPCTEC-UHFFFAOYSA-N 0 3 408.296 2.762 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c(C)c1Cl ZINC000788593562 1077216458 /nfs/dbraw/zinc/21/64/58/1077216458.db2.gz UEFFSLNUTOLPCQ-UHFFFAOYSA-N 0 3 408.973 2.990 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)=NO1 ZINC000788621895 1077232162 /nfs/dbraw/zinc/23/21/62/1077232162.db2.gz YFLLLUXDNQTIMW-HOCLYGCPSA-N 0 3 422.551 2.671 20 0 HFADHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788635922 1077240308 /nfs/dbraw/zinc/24/03/08/1077240308.db2.gz WSNVKVGYJMRBSW-UHFFFAOYSA-N 0 3 408.973 2.897 20 0 HFADHN CC1(C)NC(=O)N(CCCOC(=O)C2(C)CCN(Cc3ccccc3)CC2)C1=O ZINC000772722709 1077251148 /nfs/dbraw/zinc/25/11/48/1077251148.db2.gz GZHIMHQUMHMXMI-UHFFFAOYSA-N 0 3 401.507 2.552 20 0 HFADHN Cc1cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1N1CCSCC1 ZINC000790975595 1077268187 /nfs/dbraw/zinc/26/81/87/1077268187.db2.gz RDZYOLAJUIXOCD-LJQANCHMSA-N 0 3 418.607 2.723 20 0 HFADHN CC(C)[C@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000788861635 1077322585 /nfs/dbraw/zinc/32/25/85/1077322585.db2.gz VDFVQWSGBMWIRX-BJKOFHAPSA-N 0 3 424.589 2.991 20 0 HFADHN CN(C)[C@H](CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000788881643 1077328530 /nfs/dbraw/zinc/32/85/30/1077328530.db2.gz LJUXWJFEZPEKBU-MRXNPFEDSA-N 0 3 421.485 2.976 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746797955 1077488454 /nfs/dbraw/zinc/48/84/54/1077488454.db2.gz QHCUSNKIGCKPQP-QGZVFWFLSA-N 0 3 424.501 2.527 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000791641815 1077506224 /nfs/dbraw/zinc/50/62/24/1077506224.db2.gz LBDZZSJZFPLPAO-FDDCHVKYSA-N 0 3 423.513 2.930 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000791707674 1077521735 /nfs/dbraw/zinc/52/17/35/1077521735.db2.gz YCMPTOQLKWLDHB-VZPUWSDOSA-N 0 3 423.513 2.834 20 0 HFADHN COc1cccc(/C=C(/C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)n2nnnc2C)c1 ZINC000791716382 1077536553 /nfs/dbraw/zinc/53/65/53/1077536553.db2.gz ULWHBZLVSMZGMR-PEDNONETSA-N 0 3 420.517 2.796 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791753412 1077552779 /nfs/dbraw/zinc/55/27/79/1077552779.db2.gz VQIHLIROEPJZLF-MRXNPFEDSA-N 0 3 418.538 2.683 20 0 HFADHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000791828656 1077576914 /nfs/dbraw/zinc/57/69/14/1077576914.db2.gz NQIFYMKIXKRWPP-SFHVURJKSA-N 0 3 406.461 2.624 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1cccc2cccnc21 ZINC000791885927 1077586352 /nfs/dbraw/zinc/58/63/52/1077586352.db2.gz XAJANEJQICVPGZ-UHFFFAOYSA-N 0 3 422.533 2.697 20 0 HFADHN CC(C)(C)OC(=O)NCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792062987 1077671390 /nfs/dbraw/zinc/67/13/90/1077671390.db2.gz XLDNNNAIANOVJP-UHFFFAOYSA-N 0 3 408.465 2.616 20 0 HFADHN CC(C)c1cccc2c1CCN(CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000789555093 1077673117 /nfs/dbraw/zinc/67/31/17/1077673117.db2.gz SAKJXYAGAGAAGM-UHFFFAOYSA-N 0 3 412.534 2.844 20 0 HFADHN CS(=O)(=O)N1CCN(c2cccc(NCc3ccccc3-c3cccnc3)n2)CC1 ZINC001170112041 1077701496 /nfs/dbraw/zinc/70/14/96/1077701496.db2.gz SGWXRNYCWUQQAC-UHFFFAOYSA-N 0 3 423.542 2.837 20 0 HFADHN O=C(NCC[S@@](=O)Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000792095586 1077713412 /nfs/dbraw/zinc/71/34/12/1077713412.db2.gz AWSBHGADLRIVOZ-UETOGOEVSA-N 0 3 411.571 2.709 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)C2)c1 ZINC000792096908 1077713757 /nfs/dbraw/zinc/71/37/57/1077713757.db2.gz LATQJVHWUPQBHE-RBBKRZOGSA-N 0 3 411.502 2.924 20 0 HFADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000789729954 1077741873 /nfs/dbraw/zinc/74/18/73/1077741873.db2.gz YELMSACLYAUPQN-HNNXBMFYSA-N 0 3 417.510 2.523 20 0 HFADHN CCS(=O)(=O)c1ccc(CNC(=O)N(CCc2ccccc2)CCN(C)C)s1 ZINC000792219019 1077746881 /nfs/dbraw/zinc/74/68/81/1077746881.db2.gz YRQNAXRQJGAZNP-UHFFFAOYSA-N 0 3 423.604 2.858 20 0 HFADHN CSCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000792231889 1077754775 /nfs/dbraw/zinc/75/47/75/1077754775.db2.gz QBRUNFODEUEIAD-KRWDZBQOSA-N 0 3 406.596 2.722 20 0 HFADHN Cc1cc(C)c(N2CC[C@@H](NC(=O)CC3(N4CCOCC4)CCCC3)C2=O)c(C)c1 ZINC000789717635 1077756068 /nfs/dbraw/zinc/75/60/68/1077756068.db2.gz AGRJZHARGXBTTB-HXUWFJFHSA-N 0 3 413.562 2.868 20 0 HFADHN CN1CCN(c2ncc(CN3CCC(COc4ccc(Cl)nc4)CC3)cn2)CC1 ZINC000789758315 1077763452 /nfs/dbraw/zinc/76/34/52/1077763452.db2.gz QRUCJZNBJKSRIW-UHFFFAOYSA-N 0 3 416.957 2.568 20 0 HFADHN Cc1nn(C)c(N2CCOCC2)c1CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789758464 1077763508 /nfs/dbraw/zinc/76/35/08/1077763508.db2.gz SKCGNTOKERWRCE-UHFFFAOYSA-N 0 3 419.957 2.905 20 0 HFADHN COc1ccc([C@H](O)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792280649 1077773513 /nfs/dbraw/zinc/77/35/13/1077773513.db2.gz WPJABCFBCUHUSW-LEOMRAHMSA-N 0 3 415.456 2.833 20 0 HFADHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792255867 1077781403 /nfs/dbraw/zinc/78/14/03/1077781403.db2.gz HHLIUJBNIKHCCE-CQSZACIVSA-N 0 3 414.497 2.951 20 0 HFADHN CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000792308952 1077800283 /nfs/dbraw/zinc/80/02/83/1077800283.db2.gz STMMDSKFZDSTEC-UHFFFAOYSA-N 0 3 401.484 2.726 20 0 HFADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792363002 1077815611 /nfs/dbraw/zinc/81/56/11/1077815611.db2.gz YZAQTTXAWGCVDS-UHFFFAOYSA-N 0 3 414.481 2.599 20 0 HFADHN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332937 1077822193 /nfs/dbraw/zinc/82/21/93/1077822193.db2.gz IQCQGHPTJOWSTH-ZWKOTPCHSA-N 0 3 409.571 2.783 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)c1 ZINC000792397305 1077834319 /nfs/dbraw/zinc/83/43/19/1077834319.db2.gz JDGLBAFXJRYZDC-UHFFFAOYSA-N 0 3 412.534 2.599 20 0 HFADHN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1cc(CN2CCOCC2)ccc1F ZINC001170167583 1077885600 /nfs/dbraw/zinc/88/56/00/1077885600.db2.gz OUMHZUBPLFNJHO-UHFFFAOYSA-N 0 3 413.497 2.526 20 0 HFADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1nc(Br)cs1 ZINC000792534867 1077890599 /nfs/dbraw/zinc/89/05/99/1077890599.db2.gz FHUPIRWADMMAPQ-UHFFFAOYSA-N 0 3 423.336 2.984 20 0 HFADHN O=C(CNC(=O)OCc1ccccc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792553830 1077901261 /nfs/dbraw/zinc/90/12/61/1077901261.db2.gz AIAOMNWCBJVLJC-UHFFFAOYSA-N 0 3 413.440 2.834 20 0 HFADHN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC001170218800 1077909996 /nfs/dbraw/zinc/90/99/96/1077909996.db2.gz VKLLCOSDTGJXME-PZJWPPBQSA-N 0 3 403.567 2.839 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000790008929 1077910976 /nfs/dbraw/zinc/91/09/76/1077910976.db2.gz ASQUKJLNILBJPT-QGZVFWFLSA-N 0 3 411.568 2.816 20 0 HFADHN CC[C@H]1C[C@@H](n2cncc2C[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194072 1077911216 /nfs/dbraw/zinc/91/12/16/1077911216.db2.gz URAXYOMGRQTJGI-QRFRQXIXSA-N 0 3 424.501 2.937 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000790017324 1077914798 /nfs/dbraw/zinc/91/47/98/1077914798.db2.gz AWVLPDYIDOYSPN-FQEVSTJZSA-N 0 3 402.516 2.645 20 0 HFADHN CC[C@H]1C[C@@H](N2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224202 1077916796 /nfs/dbraw/zinc/91/67/96/1077916796.db2.gz UITSCTRZWRPBLP-MPJJRAAHSA-N 0 3 402.535 2.702 20 0 HFADHN CCOC(=O)c1ccc2[nH]c(-c3ccnc(-n4[n-]c(=O)c(CC[NH3+])c4C)n3)cc2c1 ZINC001170340986 1077953161 /nfs/dbraw/zinc/95/31/61/1077953161.db2.gz VURKRKSSQYXJQJ-UHFFFAOYSA-N 0 3 406.446 2.503 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001170349962 1077955613 /nfs/dbraw/zinc/95/56/13/1077955613.db2.gz VSTOJBHBYKDSBJ-MSOLQXFVSA-N 0 3 407.555 2.536 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000790389150 1078012279 /nfs/dbraw/zinc/01/22/79/1078012279.db2.gz JLUWATLBEPLSLD-QFIPXVFZSA-N 0 3 424.545 2.882 20 0 HFADHN CC1(C)CN=C(N2CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)S1 ZINC000792872809 1078015388 /nfs/dbraw/zinc/01/53/88/1078015388.db2.gz PQZWKLWTKMKFBU-FQEVSTJZSA-N 0 3 402.608 2.777 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cn1 ZINC000790420173 1078022397 /nfs/dbraw/zinc/02/23/97/1078022397.db2.gz GSQDMQHAALHSKF-NQSCKRDGSA-N 0 3 411.550 2.773 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914796 1078024967 /nfs/dbraw/zinc/02/49/67/1078024967.db2.gz SWKWBBYDOHSWOS-IOASZLSFSA-N 0 3 421.847 2.555 20 0 HFADHN COC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000747093850 1078032974 /nfs/dbraw/zinc/03/29/74/1078032974.db2.gz BFOPAHPARJZINV-FXAWDEMLSA-N 0 3 412.490 2.869 20 0 HFADHN COC(=O)c1c2cnn(CN3CC[C@@H]([C@H]4CCOC4)C3)c2ccc1Br ZINC000790443409 1078033761 /nfs/dbraw/zinc/03/37/61/1078033761.db2.gz VKEGVVQOZMYBKT-OLZOCXBDSA-N 0 3 408.296 2.901 20 0 HFADHN O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1)OCc1ccccc1 ZINC000792984994 1078040948 /nfs/dbraw/zinc/04/09/48/1078040948.db2.gz MCPGOEWMJMCYQC-OALUTQOASA-N 0 3 400.523 2.571 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988081 1078041904 /nfs/dbraw/zinc/04/19/04/1078041904.db2.gz WPEOYJXNSSWJGH-IERDGZPVSA-N 0 3 413.559 2.738 20 0 HFADHN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747325464 1079597467 /nfs/dbraw/zinc/59/74/67/1079597467.db2.gz KMMDDIYCEOKLBP-SJLPKXTDSA-N 0 3 421.950 2.897 20 0 HFADHN CSc1nc2nc(C)c(CC(=O)N[C@@]3(C)CCN(Cc4ccccc4)C3)c(C)n2n1 ZINC001130610503 1079630102 /nfs/dbraw/zinc/63/01/02/1079630102.db2.gz RMLMAJBVPSFRRL-QFIPXVFZSA-N 0 3 424.574 2.786 20 0 HFADHN C[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613977 1079641598 /nfs/dbraw/zinc/64/15/98/1079641598.db2.gz NZMUACPKKBASQB-VGOFRKELSA-N 0 3 400.544 2.974 20 0 HFADHN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747341681 1079876106 /nfs/dbraw/zinc/87/61/06/1079876106.db2.gz HDFBJJKFOCUIGA-CVEARBPZSA-N 0 3 409.490 2.865 20 0 HFADHN O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747340543 1079901234 /nfs/dbraw/zinc/90/12/34/1079901234.db2.gz BCOMGZQLVFYUKV-IEBWSBKVSA-N 0 3 419.319 2.961 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@]34CCO[C@@H]3CCCC4)cc2)CC1 ZINC001130742169 1080005536 /nfs/dbraw/zinc/00/55/36/1080005536.db2.gz LPKREAAZTHHDML-FYYLOGMGSA-N 0 3 401.551 2.991 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000806811943 1080025663 /nfs/dbraw/zinc/02/56/63/1080025663.db2.gz YVRKBVNURJKWQJ-PMACEKPBSA-N 0 3 402.539 2.961 20 0 HFADHN COC(=O)[C@@H]1CC[C@H](N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001170512131 1080026190 /nfs/dbraw/zinc/02/61/90/1080026190.db2.gz FVVGHQHVJJSKOR-SQNIBIBYSA-N 0 3 416.518 2.607 20 0 HFADHN O=C(COCc1ccccn1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000806885162 1080082706 /nfs/dbraw/zinc/08/27/06/1080082706.db2.gz BBDPSLFBPPZNJK-UHFFFAOYSA-N 0 3 403.910 2.911 20 0 HFADHN CCOC(=O)C1=C(Nc2ncnc3c2ccn3COCC[Si](C)(C)C)CCNC1 ZINC001170513638 1080115794 /nfs/dbraw/zinc/11/57/94/1080115794.db2.gz SQTCCDFLXXNUMM-UHFFFAOYSA-N 0 3 417.586 2.966 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807003156 1080181793 /nfs/dbraw/zinc/18/17/93/1080181793.db2.gz WKYLXJGAIZEPKU-NRFANRHFSA-N 0 3 424.545 2.761 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037791 1080227434 /nfs/dbraw/zinc/22/74/34/1080227434.db2.gz CBQXMWLFCKCCGR-YADHBBJMSA-N 0 3 424.545 2.788 20 0 HFADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1nc(Br)sc1C1CC1 ZINC000807066272 1080248950 /nfs/dbraw/zinc/24/89/50/1080248950.db2.gz IKZOZQOTRZMHKF-GFCCVEGCSA-N 0 3 400.342 2.766 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000807096346 1080275155 /nfs/dbraw/zinc/27/51/55/1080275155.db2.gz IAAQYUQBGOQDJT-FQEVSTJZSA-N 0 3 412.490 2.754 20 0 HFADHN COC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000807147570 1080302846 /nfs/dbraw/zinc/30/28/46/1080302846.db2.gz GEBYFLODHJTACC-ABSDTBQOSA-N 0 3 402.539 2.816 20 0 HFADHN CN1CCN(CCNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1(C)C ZINC000807207822 1080356998 /nfs/dbraw/zinc/35/69/98/1080356998.db2.gz AREMDPPGUZQZON-HSZRJFAPSA-N 0 3 424.589 2.958 20 0 HFADHN CN(C)C[C@@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000807212425 1080363104 /nfs/dbraw/zinc/36/31/04/1080363104.db2.gz CEBCTXQBDFCJKL-ZGQNHIEXSA-N 0 3 412.509 2.947 20 0 HFADHN COc1ccc(C2=NO[C@@H](CNC(=O)N[C@H](CN(C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213639 1080364477 /nfs/dbraw/zinc/36/44/77/1080364477.db2.gz IPVCVEYJFGGPHC-TZIWHRDSSA-N 0 3 414.481 2.929 20 0 HFADHN C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000807177448 1080369565 /nfs/dbraw/zinc/36/95/65/1080369565.db2.gz YTPVFIIDWDOSTQ-SWLSCSKDSA-N 0 3 415.763 2.596 20 0 HFADHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895653 1080432589 /nfs/dbraw/zinc/43/25/89/1080432589.db2.gz UADJQUNRIVEBRJ-QWHCGFSZSA-N 0 3 420.000 2.544 20 0 HFADHN COc1cc(OC)cc([C@H](O)CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000807400012 1080595195 /nfs/dbraw/zinc/59/51/95/1080595195.db2.gz WFFGYWOLVOFRHN-IWMITWMQSA-N 0 3 401.507 2.728 20 0 HFADHN C[C@H](NC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000807402798 1080597876 /nfs/dbraw/zinc/59/78/76/1080597876.db2.gz MOUHACLQHWSXOV-QXAKKESOSA-N 0 3 420.554 2.613 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)c1ccco1 ZINC000807441702 1080663445 /nfs/dbraw/zinc/66/34/45/1080663445.db2.gz NDIXLIHPQUGVSC-FJIDUMEYSA-N 0 3 405.495 2.836 20 0 HFADHN C[C@](CO)(Cc1ccccc1F)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC001198218370 1126154607 /nfs/dbraw/zinc/15/46/07/1126154607.db2.gz GDHCAZZYFUBZJV-LJQANCHMSA-N 0 3 420.282 2.679 20 0 HFADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164635251 719136352 /nfs/dbraw/zinc/13/63/52/719136352.db2.gz WQKNLWHPCYTVGN-MRXNPFEDSA-N 0 3 411.836 2.810 20 0 HFADHN C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)[C@H](C)CN1C ZINC000508342133 719236537 /nfs/dbraw/zinc/23/65/37/719236537.db2.gz TZOJGURVEMYNPY-HZPDHXFCSA-N 0 3 415.607 2.931 20 0 HFADHN CC(C)C[NH+]1CCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)CC1 ZINC001164657638 719338603 /nfs/dbraw/zinc/33/86/03/719338603.db2.gz VQVAQRPPYWSGCA-UHFFFAOYSA-N 0 3 410.490 2.939 20 0 HFADHN c1ccc2nc(N3CCOCC3)c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164721752 720379098 /nfs/dbraw/zinc/37/90/98/720379098.db2.gz AYOWSRYMMGXTMA-FCHUYYIVSA-N 0 3 416.529 2.715 20 0 HFADHN CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164724239 720400549 /nfs/dbraw/zinc/40/05/49/720400549.db2.gz IMZYFTOZZZDQJU-UXHICEINSA-N 0 3 401.518 2.853 20 0 HFADHN O=C(C[C@@H]1OC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]21)N1CCCCC1 ZINC001164835744 720501919 /nfs/dbraw/zinc/50/19/19/720501919.db2.gz KVFWRUIIPHDLRJ-FKBYEOEOSA-N 0 3 412.578 2.921 20 0 HFADHN COc1cc2nc(C)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c2cc1OC ZINC001164727236 720565114 /nfs/dbraw/zinc/56/51/14/720565114.db2.gz CLDWWOPTVHKDIV-UHFFFAOYSA-N 0 3 422.533 2.810 20 0 HFADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738998 720667585 /nfs/dbraw/zinc/66/75/85/720667585.db2.gz LWMCPIZPCJNOPM-STQMWFEESA-N 0 3 400.845 2.554 20 0 HFADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736692 720689015 /nfs/dbraw/zinc/68/90/15/720689015.db2.gz ALDQGKIZRJHVBH-SJORKVTESA-N 0 3 413.485 2.757 20 0 HFADHN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845177 720741006 /nfs/dbraw/zinc/74/10/06/720741006.db2.gz WQVVTCGXMQCTEC-UHFFFAOYSA-N 0 3 422.871 2.752 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773491 721073539 /nfs/dbraw/zinc/07/35/39/721073539.db2.gz XJMRZGPHBCQVPV-CVEARBPZSA-N 0 3 403.914 2.604 20 0 HFADHN CSc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164865688 721081691 /nfs/dbraw/zinc/08/16/91/721081691.db2.gz OHJXBGZDEBHIJD-ROUUACIJSA-N 0 3 411.575 2.952 20 0 HFADHN CCCN(CCC)c1cncc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865150 721116527 /nfs/dbraw/zinc/11/65/27/721116527.db2.gz IUAANEQOIUDHFB-LEWJYISDSA-N 0 3 410.566 2.978 20 0 HFADHN c1ccc(COc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)cn2)cc1 ZINC001164863717 721120304 /nfs/dbraw/zinc/12/03/04/721120304.db2.gz DALKTZPPZICYGZ-FCHUYYIVSA-N 0 3 417.513 2.930 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(C)nc2c1 ZINC001164880456 721161051 /nfs/dbraw/zinc/16/10/51/721161051.db2.gz WTTDJFYPSNXOEF-QUCCMNQESA-N 0 3 405.502 2.822 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164766220 721230941 /nfs/dbraw/zinc/23/09/41/721230941.db2.gz SZDKMCBRVXITPL-RTBURBONSA-N 0 3 405.506 2.701 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@H]3C2)cn1 ZINC001164769741 721245043 /nfs/dbraw/zinc/24/50/43/721245043.db2.gz ZMABCSGZNPCXIK-HUUCEWRRSA-N 0 3 412.588 2.622 20 0 HFADHN Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896112 721432117 /nfs/dbraw/zinc/43/21/17/721432117.db2.gz QNGVIJNYBBHLAT-XUZZJYLKSA-N 0 3 422.577 2.612 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCC1 ZINC001164900322 721509242 /nfs/dbraw/zinc/50/92/42/721509242.db2.gz QDORNYYDWAHWKU-ICSRJNTNSA-N 0 3 410.493 2.799 20 0 HFADHN Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(N)=O ZINC001164897695 721513149 /nfs/dbraw/zinc/51/31/49/721513149.db2.gz GIAZXEMXAXJRKS-HOCLYGCPSA-N 0 3 404.873 2.623 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900304 721525121 /nfs/dbraw/zinc/52/51/21/721525121.db2.gz PZPADVBJMMMMPU-DZGCQCFKSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2c([n-]1)nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900304 721525125 /nfs/dbraw/zinc/52/51/25/721525125.db2.gz PZPADVBJMMMMPU-DZGCQCFKSA-N 0 3 402.861 2.796 20 0 HFADHN Cc1nc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2[nH]1 ZINC001164900304 721525127 /nfs/dbraw/zinc/52/51/27/721525127.db2.gz PZPADVBJMMMMPU-DZGCQCFKSA-N 0 3 402.861 2.796 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164912347 721533086 /nfs/dbraw/zinc/53/30/86/721533086.db2.gz YZUWCPSIEGBXOX-AEFFLSMTSA-N 0 3 413.497 2.942 20 0 HFADHN CC(C)c1nc(N(C)C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911532 721541401 /nfs/dbraw/zinc/54/14/01/721541401.db2.gz XCOTXHYAYHONDB-AEFFLSMTSA-N 0 3 400.502 2.542 20 0 HFADHN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncccc2CN2CCCC2)C1 ZINC001164804629 721606783 /nfs/dbraw/zinc/60/67/83/721606783.db2.gz MGCBHOGHQIQDIO-QHCPKHFHSA-N 0 3 408.550 2.520 20 0 HFADHN COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1N ZINC001164907415 721697333 /nfs/dbraw/zinc/69/73/33/721697333.db2.gz SJZVRWBTVBXDEE-HXUWFJFHSA-N 0 3 417.460 2.583 20 0 HFADHN F[C@@H](Oc1cncc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966301 722061408 /nfs/dbraw/zinc/06/14/08/722061408.db2.gz QFTLIGZZLGYVTJ-LJQANCHMSA-N 0 3 421.904 2.772 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164985144 722100360 /nfs/dbraw/zinc/10/03/60/722100360.db2.gz UZGXIQHWZSNECX-ZBFHGGJFSA-N 0 3 416.888 2.873 20 0 HFADHN CSc1nc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977205 722100705 /nfs/dbraw/zinc/10/07/05/722100705.db2.gz FBCNYVLHVSKFNZ-CVEARBPZSA-N 0 3 405.955 2.974 20 0 HFADHN COc1cccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985184 722106141 /nfs/dbraw/zinc/10/61/41/722106141.db2.gz VGQFSGKPAWTERB-RXVVDRJESA-N 0 3 405.502 2.761 20 0 HFADHN F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976308 722108367 /nfs/dbraw/zinc/10/83/67/722108367.db2.gz LENXIFHATMFBTC-KPFFTGBYSA-N 0 3 406.889 2.985 20 0 HFADHN Clc1nc2cnccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979274 722109132 /nfs/dbraw/zinc/10/91/32/722109132.db2.gz PRFXMGAIRQYLNR-VQIMIIECSA-N 0 3 410.909 2.801 20 0 HFADHN CSc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971913 722121320 /nfs/dbraw/zinc/12/13/20/722121320.db2.gz DMYYLVMEFJDACW-JKSUJKDBSA-N 0 3 405.955 2.974 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164980928 722131884 /nfs/dbraw/zinc/13/18/84/722131884.db2.gz NTRHIARKFIAGTM-SFTDATJTSA-N 0 3 408.550 2.589 20 0 HFADHN Nc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164977084 722136906 /nfs/dbraw/zinc/13/69/06/722136906.db2.gz IRGFRKYUHYXBRT-MAUKXSAKSA-N 0 3 423.895 2.984 20 0 HFADHN Cc1noc(-c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982674 722144584 /nfs/dbraw/zinc/14/45/84/722144584.db2.gz RYCDOIQDYDIRNZ-UXHICEINSA-N 0 3 406.490 2.562 20 0 HFADHN Cc1noc(-c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982678 722145223 /nfs/dbraw/zinc/14/52/23/722145223.db2.gz RYCDOIQDYDIRNZ-VQTJNVASSA-N 0 3 406.490 2.562 20 0 HFADHN c1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)nc1 ZINC001164980907 722145253 /nfs/dbraw/zinc/14/52/53/722145253.db2.gz NQCZVJLXBRZLPR-DENIHFKCSA-N 0 3 402.502 2.661 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984214 722146901 /nfs/dbraw/zinc/14/69/01/722146901.db2.gz WLDCBTKMNKCRPI-JTHBVZDNSA-N 0 3 416.529 2.969 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3C2)c1 ZINC001164972544 722147998 /nfs/dbraw/zinc/14/79/98/722147998.db2.gz ABIUBDYOBKOPAU-UNMCSNQZSA-N 0 3 402.502 2.661 20 0 HFADHN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ccc(CN3CCCC3)cn1)CCO2 ZINC001165000402 722249639 /nfs/dbraw/zinc/24/96/39/722249639.db2.gz HUDXEMAZRWDZIX-QHCPKHFHSA-N 0 3 410.518 2.782 20 0 HFADHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793038852 1078053737 /nfs/dbraw/zinc/05/37/37/1078053737.db2.gz JATITCKLANBBDS-UHFFFAOYSA-N 0 3 411.344 2.753 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)C3CCC(NC(=O)C4CC4)CC3)CC2)c1 ZINC000793130448 1078073304 /nfs/dbraw/zinc/07/33/04/1078073304.db2.gz WAFBRVJHESVALD-UHFFFAOYSA-N 0 3 413.562 2.861 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)CN1Cc1ccccc1 ZINC000793093631 1078067547 /nfs/dbraw/zinc/06/75/47/1078067547.db2.gz SZBDGQYGJSDHPJ-APWZRJJASA-N 0 3 402.926 2.902 20 0 HFADHN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2)C1=O ZINC000790607480 1078074385 /nfs/dbraw/zinc/07/43/85/1078074385.db2.gz CYPVTOFSHVOLJU-QHCPKHFHSA-N 0 3 416.485 2.986 20 0 HFADHN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccccc3-n3cncn3)cc2)C1=O ZINC000790610925 1078074980 /nfs/dbraw/zinc/07/49/80/1078074980.db2.gz PBDKSWQRZXJHES-HSZRJFAPSA-N 0 3 416.485 2.782 20 0 HFADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153502 1078091718 /nfs/dbraw/zinc/09/17/18/1078091718.db2.gz KDFWXEPFFODHNU-QFBILLFUSA-N 0 3 402.926 2.759 20 0 HFADHN COC(=O)[C@H](COCc1ccccc1)Nc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001170142019 1078087142 /nfs/dbraw/zinc/08/71/42/1078087142.db2.gz PDEFCJIHOJNKPX-LEWJYISDSA-N 0 3 409.486 2.771 20 0 HFADHN COc1cccc2[nH]cc(CCNC(=O)N3CCN(c4ccncc4OC)CC3)c21 ZINC000793151718 1078091258 /nfs/dbraw/zinc/09/12/58/1078091258.db2.gz QECGJGBLQUWPPP-UHFFFAOYSA-N 0 3 409.490 2.654 20 0 HFADHN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267774 1078113966 /nfs/dbraw/zinc/11/39/66/1078113966.db2.gz WFAQQOHABGZHPW-BNOWGMLFSA-N 0 3 419.266 2.932 20 0 HFADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768559 1078114336 /nfs/dbraw/zinc/11/43/36/1078114336.db2.gz VJVQFLURCSUTEN-KWQFWETISA-N 0 3 403.118 2.819 20 0 HFADHN COc1cnccc1N1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000793371798 1078151775 /nfs/dbraw/zinc/15/17/75/1078151775.db2.gz ZBDGZNJBSXWDAL-UHFFFAOYSA-N 0 3 419.529 2.797 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001170431980 1078174215 /nfs/dbraw/zinc/17/42/15/1078174215.db2.gz PSGZFQHORWYPDD-GOSISDBHSA-N 0 3 405.539 2.879 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521508 1078198605 /nfs/dbraw/zinc/19/86/05/1078198605.db2.gz YHPZIOLNSYLJJT-XZOQPEGZSA-N 0 3 409.530 2.950 20 0 HFADHN COCCN(C)c1ccc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000793605945 1078223156 /nfs/dbraw/zinc/22/31/56/1078223156.db2.gz SPXLCCUIXBFYLG-JOCHJYFZSA-N 0 3 404.555 2.997 20 0 HFADHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793716226 1078263196 /nfs/dbraw/zinc/26/31/96/1078263196.db2.gz ZBGBBUOHZOREOM-MSOLQXFVSA-N 0 3 420.985 2.582 20 0 HFADHN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793718319 1078263505 /nfs/dbraw/zinc/26/35/05/1078263505.db2.gz ISCGIQWQGYOJAQ-HNNXBMFYSA-N 0 3 410.356 2.707 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCCCC1 ZINC000793719416 1078264175 /nfs/dbraw/zinc/26/41/75/1078264175.db2.gz DWMYVOKZBKVOBL-OXQOHEQNSA-N 0 3 414.937 2.931 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCCCC1 ZINC000793719398 1078264286 /nfs/dbraw/zinc/26/42/86/1078264286.db2.gz DQYKGOOKYIHVBI-CZUORRHYSA-N 0 3 403.420 2.926 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br)N1CCCCC1 ZINC000793708983 1078277888 /nfs/dbraw/zinc/27/78/88/1078277888.db2.gz NKYYZIOQLVKFEW-HNNXBMFYSA-N 0 3 424.383 2.834 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCCCC1 ZINC000793694784 1078271200 /nfs/dbraw/zinc/27/12/00/1078271200.db2.gz BMKXAWILDCMDJV-DLBZAZTESA-N 0 3 414.575 2.993 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)N1CCCCC1 ZINC000793700927 1078273881 /nfs/dbraw/zinc/27/38/81/1078273881.db2.gz NBAZCIYKTQWQCM-QPIRBTGLSA-N 0 3 416.566 2.646 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000793703728 1078275367 /nfs/dbraw/zinc/27/53/67/1078275367.db2.gz WLJDASJVGYQAMM-OAHLLOKOSA-N 0 3 411.468 2.844 20 0 HFADHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccn1 ZINC000793705516 1078276690 /nfs/dbraw/zinc/27/66/90/1078276690.db2.gz DRLVAQQOWOBKFA-QZTJIDSGSA-N 0 3 404.555 2.502 20 0 HFADHN CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000793783605 1078294122 /nfs/dbraw/zinc/29/41/22/1078294122.db2.gz KFBVFGIRPXYBPD-ZCNNSNEGSA-N 0 3 403.592 2.976 20 0 HFADHN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000793796101 1078300524 /nfs/dbraw/zinc/30/05/24/1078300524.db2.gz WTAJUGKWBHVSRA-RTBURBONSA-N 0 3 424.545 2.615 20 0 HFADHN CN(C)CCN(C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000747172595 1078367892 /nfs/dbraw/zinc/36/78/92/1078367892.db2.gz FCBNJECXLYDQNX-UHFFFAOYSA-N 0 3 408.296 2.952 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)CC1 ZINC000794324100 1078413614 /nfs/dbraw/zinc/41/36/14/1078413614.db2.gz MAOPYZCWNKODCD-UHFFFAOYSA-N 0 3 416.953 2.900 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000794340373 1078419835 /nfs/dbraw/zinc/41/98/35/1078419835.db2.gz WETSEDVABUNTAC-UHFFFAOYSA-N 0 3 411.687 2.864 20 0 HFADHN CN(Cc1cccc(OCc2ccccn2)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170450740 1078479557 /nfs/dbraw/zinc/47/95/57/1078479557.db2.gz GNOABAZWQFZSON-IBGZPJMESA-N 0 3 401.507 2.978 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000804441815 1078507041 /nfs/dbraw/zinc/50/70/41/1078507041.db2.gz JTUZQBDKEUNSLF-UHFFFAOYSA-N 0 3 413.971 2.682 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000804442513 1078509097 /nfs/dbraw/zinc/50/90/97/1078509097.db2.gz ZBOLAWOOYFVCMG-UHFFFAOYSA-N 0 3 413.559 2.803 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000804496009 1078551662 /nfs/dbraw/zinc/55/16/62/1078551662.db2.gz UKORGUGWSRVMGU-KBPBESRZSA-N 0 3 407.563 2.675 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000804970716 1078805951 /nfs/dbraw/zinc/80/59/51/1078805951.db2.gz SXNRMOFJQDQJIT-VQIMIIECSA-N 0 3 413.440 2.788 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000805098528 1078885502 /nfs/dbraw/zinc/88/55/02/1078885502.db2.gz IAXZSPQVGRNGSA-RDTXWAMCSA-N 0 3 401.429 2.644 20 0 HFADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747231765 1078951076 /nfs/dbraw/zinc/95/10/76/1078951076.db2.gz NNZJWXIYTMIOKQ-YUTCNCBUSA-N 0 3 417.731 2.849 20 0 HFADHN C[C@@]1(CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CCCN1Cc1ccccc1 ZINC000805199379 1078952633 /nfs/dbraw/zinc/95/26/33/1078952633.db2.gz ZAHJVUHNXHPXGT-RDPSFJRHSA-N 0 3 406.530 2.568 20 0 HFADHN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001130125064 1078975492 /nfs/dbraw/zinc/97/54/92/1078975492.db2.gz VOMNFIXIJSDSAY-FKVLARQCSA-N 0 3 412.578 2.939 20 0 HFADHN CC(C)CN1N=C(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CCC1=O ZINC000805276513 1079005593 /nfs/dbraw/zinc/00/55/93/1079005593.db2.gz GURBHQDRHNGIJA-FQEVSTJZSA-N 0 3 402.539 2.827 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246887 1079122627 /nfs/dbraw/zinc/12/26/27/1079122627.db2.gz IPYWQLSIBJCVPW-KBPBESRZSA-N 0 3 407.319 2.685 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246887 1079122632 /nfs/dbraw/zinc/12/26/32/1079122632.db2.gz IPYWQLSIBJCVPW-KBPBESRZSA-N 0 3 407.319 2.685 20 0 HFADHN CN1CCN(Cc2ccc(CNS(=O)(=O)/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000747249152 1079124967 /nfs/dbraw/zinc/12/49/67/1079124967.db2.gz XORINKOOHLKGRJ-XNTDXEJSSA-N 0 3 403.523 2.663 20 0 HFADHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001130300629 1079191663 /nfs/dbraw/zinc/19/16/63/1079191663.db2.gz BXHITWYTXGNIGR-MOPGFXCFSA-N 0 3 407.580 2.819 20 0 HFADHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 ZINC000747268100 1079261264 /nfs/dbraw/zinc/26/12/64/1079261264.db2.gz UANHVYBZVBWAFW-AWEZNQCLSA-N 0 3 400.516 2.791 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCC2)c(Cl)cc1Cl ZINC000747270583 1079277785 /nfs/dbraw/zinc/27/77/85/1079277785.db2.gz ZJMHGRJYGJSPOE-UHFFFAOYSA-N 0 3 409.335 2.933 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]CC[N@@H+](C)C2CCCC2)c(Cl)cc1Cl ZINC000747270583 1079277789 /nfs/dbraw/zinc/27/77/89/1079277789.db2.gz ZJMHGRJYGJSPOE-UHFFFAOYSA-N 0 3 409.335 2.933 20 0 HFADHN C[C@H](Sc1ncccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCCC1 ZINC001130518241 1079449496 /nfs/dbraw/zinc/44/94/96/1079449496.db2.gz ISJUOQDEHSZFOW-WDSOQIARSA-N 0 3 416.591 2.931 20 0 HFADHN COc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519867 1079451527 /nfs/dbraw/zinc/45/15/27/1079451527.db2.gz YLAMMFPOTUSLGT-IAGOWNOFSA-N 0 3 423.579 2.519 20 0 HFADHN COc1ccc(OC)c(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001130528784 1079465361 /nfs/dbraw/zinc/46/53/61/1079465361.db2.gz PMNKGOXQYLZSOK-FYYLOGMGSA-N 0 3 410.514 2.748 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000787332492 1076745285 /nfs/dbraw/zinc/74/52/85/1076745285.db2.gz LNDJXQIMLBDQKC-ZHALLVOQSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1cccnc1Oc1cccc(F)c1)N1CCCCC1 ZINC000787300264 1076749193 /nfs/dbraw/zinc/74/91/93/1076749193.db2.gz YREZHOLSIGBJPG-INIZCTEOSA-N 0 3 414.481 2.620 20 0 HFADHN CS(=O)(=O)N1CCc2cc(C(=O)OCC3CCN(Cc4ccco4)CC3)ccc21 ZINC000772698565 1076756431 /nfs/dbraw/zinc/75/64/31/1076756431.db2.gz MARZNZYKNJWVDZ-UHFFFAOYSA-N 0 3 418.515 2.671 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000787315003 1076759430 /nfs/dbraw/zinc/75/94/30/1076759430.db2.gz VOXJYJOXXHLYGM-OAHLLOKOSA-N 0 3 412.987 2.863 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322282 1076766438 /nfs/dbraw/zinc/76/64/38/1076766438.db2.gz CZESIGJXWQVRAU-KZNAEPCWSA-N 0 3 424.586 2.717 20 0 HFADHN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000746677669 1076792037 /nfs/dbraw/zinc/79/20/37/1076792037.db2.gz SDGIANYKBAKLEH-HOTGVXAUSA-N 0 3 400.548 2.770 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)N1CCCCC1 ZINC000787471699 1076835155 /nfs/dbraw/zinc/83/51/55/1076835155.db2.gz VVTODVOVSLXUPX-LBPRGKRZSA-N 0 3 409.943 2.731 20 0 HFADHN CC(C)N1CCC[C@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529700 1076849644 /nfs/dbraw/zinc/84/96/44/1076849644.db2.gz KJNBZIXGLYTUFY-CVEARBPZSA-N 0 3 405.543 2.737 20 0 HFADHN CC(C)N1CCC[C@@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529710 1076849706 /nfs/dbraw/zinc/84/97/06/1076849706.db2.gz KJNBZIXGLYTUFY-HZPDHXFCSA-N 0 3 405.543 2.737 20 0 HFADHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689658 1076913783 /nfs/dbraw/zinc/91/37/83/1076913783.db2.gz MHZVNPJJWQLVOZ-TZYHBYERSA-N 0 3 408.546 2.885 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787703880 1076919208 /nfs/dbraw/zinc/91/92/08/1076919208.db2.gz DWKVODKOSZDSKF-CVDCTZTESA-N 0 3 417.550 2.641 20 0 HFADHN Cc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746731919 1077073472 /nfs/dbraw/zinc/07/34/72/1077073472.db2.gz ZFYHMTUXKCEXEQ-HSZRJFAPSA-N 0 3 424.501 2.710 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744758 1077125813 /nfs/dbraw/zinc/12/58/13/1077125813.db2.gz WRAMMJDOOKTCMA-MSOLQXFVSA-N 0 3 400.454 2.784 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744764 1077125858 /nfs/dbraw/zinc/12/58/58/1077125858.db2.gz WRAMMJDOOKTCMA-ZWKOTPCHSA-N 0 3 400.454 2.784 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000788481951 1077174905 /nfs/dbraw/zinc/17/49/05/1077174905.db2.gz DPRFWRWSXVARKU-QFIPXVFZSA-N 0 3 407.558 2.856 20 0 HFADHN CC(C)(C)OC(=O)NC1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788488230 1077177540 /nfs/dbraw/zinc/17/75/40/1077177540.db2.gz NVHNJFXLYNOUAU-UHFFFAOYSA-N 0 3 412.575 2.528 20 0 HFADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C)nc3Cl)cc2)CC1 ZINC000788597426 1077218599 /nfs/dbraw/zinc/21/85/99/1077218599.db2.gz QFXKNBSGMFAJLP-UHFFFAOYSA-N 0 3 422.982 2.659 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)C[NH+]2CCCCC2)c(C)c1Cl ZINC000788600155 1077219257 /nfs/dbraw/zinc/21/92/57/1077219257.db2.gz SJTHWHBOOIIPKK-NSHDSACASA-N 0 3 408.973 2.897 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@H](c2cccs2)N2CCCC2)=NO1 ZINC000788621894 1077232432 /nfs/dbraw/zinc/23/24/32/1077232432.db2.gz YFLLLUXDNQTIMW-GOEBONIOSA-N 0 3 422.551 2.671 20 0 HFADHN C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000788658147 1077255347 /nfs/dbraw/zinc/25/53/47/1077255347.db2.gz UDMDYIQLQOXMDW-CVEARBPZSA-N 0 3 411.568 2.767 20 0 HFADHN COC(=O)CS(=O)(=O)Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000788671088 1077262188 /nfs/dbraw/zinc/26/21/88/1077262188.db2.gz WCLXREJSQDNVDA-LJQANCHMSA-N 0 3 403.500 2.647 20 0 HFADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925176 1077337985 /nfs/dbraw/zinc/33/79/85/1077337985.db2.gz CULINJIGOYHMPW-LPHOPBHVSA-N 0 3 414.550 2.980 20 0 HFADHN Cc1cc(C)n(CCN2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600180 1077484423 /nfs/dbraw/zinc/48/44/23/1077484423.db2.gz FERZENZSDQSILN-RBKMHILSSA-N 0 3 420.557 2.508 20 0 HFADHN Cc1ncsc1CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600194 1077505475 /nfs/dbraw/zinc/50/54/75/1077505475.db2.gz GFRWGLXLDKCPGX-OSFNYYGPSA-N 0 3 409.555 2.959 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)c2)CC1 ZINC000791715587 1077536704 /nfs/dbraw/zinc/53/67/04/1077536704.db2.gz RNJVHEULLBNOJN-JOCHJYFZSA-N 0 3 408.502 2.969 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)CC2)c1 ZINC000792078080 1077691456 /nfs/dbraw/zinc/69/14/56/1077691456.db2.gz ZRSQLRZNSNJJJB-QHCPKHFHSA-N 0 3 423.513 2.978 20 0 HFADHN C[C@@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOC2=O)cc1 ZINC000792278379 1077772670 /nfs/dbraw/zinc/77/26/70/1077772670.db2.gz YWPBLRNCTLBICO-QGZVFWFLSA-N 0 3 417.531 2.756 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000789756324 1077787026 /nfs/dbraw/zinc/78/70/26/1077787026.db2.gz AUQVHXGNXGJPMJ-UHFFFAOYSA-N 0 3 415.925 2.542 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272376 1077788554 /nfs/dbraw/zinc/78/85/54/1077788554.db2.gz MPUYVUDKLKNXKM-KSFYIVLOSA-N 0 3 408.502 2.925 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(Cl)nc2C)c1 ZINC000789779918 1077789498 /nfs/dbraw/zinc/78/94/98/1077789498.db2.gz RNLMDCMFPUDUBE-UHFFFAOYSA-N 0 3 404.898 2.581 20 0 HFADHN Cc1cc(CN(C)C)cc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792275382 1077790295 /nfs/dbraw/zinc/79/02/95/1077790295.db2.gz GMUWCMMKSVUZIW-UHFFFAOYSA-N 0 3 404.555 2.938 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2)CC1 ZINC000789811649 1077821716 /nfs/dbraw/zinc/82/17/16/1077821716.db2.gz WOLVRYNEPVEPSL-LEWJYISDSA-N 0 3 410.493 2.578 20 0 HFADHN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332932 1077822048 /nfs/dbraw/zinc/82/20/48/1077822048.db2.gz IQCQGHPTJOWSTH-QZTJIDSGSA-N 0 3 409.571 2.783 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(CC[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000792332798 1077822140 /nfs/dbraw/zinc/82/21/40/1077822140.db2.gz WUVJBYNAEPYBIM-QGZVFWFLSA-N 0 3 400.585 2.924 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccnn2C2CCCC2)c1 ZINC000792401571 1077836294 /nfs/dbraw/zinc/83/62/94/1077836294.db2.gz YGPSSRMYVBZBHP-UHFFFAOYSA-N 0 3 413.522 2.536 20 0 HFADHN C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792515233 1077882166 /nfs/dbraw/zinc/88/21/66/1077882166.db2.gz FWOSVYHCXNORNM-GOSISDBHSA-N 0 3 404.555 2.618 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)cc1 ZINC000790019588 1077915539 /nfs/dbraw/zinc/91/55/39/1077915539.db2.gz CCVLTLWETCIYSO-UHFFFAOYSA-N 0 3 411.568 2.864 20 0 HFADHN C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790027942 1077919160 /nfs/dbraw/zinc/91/91/60/1077919160.db2.gz WHLUGQTZXATBFO-QAPCUYQASA-N 0 3 411.568 2.672 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2nc(Cc3ccccc3)no2)c1 ZINC000790193768 1077967532 /nfs/dbraw/zinc/96/75/32/1077967532.db2.gz LXFQCEAWCPZCHO-UHFFFAOYSA-N 0 3 423.517 2.942 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(OC)cs3)cc2)CC1 ZINC000747085246 1077983249 /nfs/dbraw/zinc/98/32/49/1077983249.db2.gz XQRFYAAUGFHDSX-UHFFFAOYSA-N 0 3 403.504 2.694 20 0 HFADHN CN(CN1C[C@]2(CN3CCC2CC3)OC1=O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382170 1078009576 /nfs/dbraw/zinc/00/95/76/1078009576.db2.gz FBEADMPVTAXYKX-SJBKTWHCSA-N 0 3 403.498 2.852 20 0 HFADHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792863806 1078011183 /nfs/dbraw/zinc/01/11/83/1078011183.db2.gz SAHNNFLSSDJABJ-LJQANCHMSA-N 0 3 402.926 2.904 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000790469746 1078038650 /nfs/dbraw/zinc/03/86/50/1078038650.db2.gz AUNGOHGLQHVMJB-SFHVURJKSA-N 0 3 406.527 2.560 20 0 HFADHN O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000747310897 1079509371 /nfs/dbraw/zinc/50/93/71/1079509371.db2.gz AWDJBHBHBMGCGS-AWEZNQCLSA-N 0 3 416.374 2.526 20 0 HFADHN COc1cccc(Cl)c1CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000806266839 1079530303 /nfs/dbraw/zinc/53/03/03/1079530303.db2.gz IUFXZBVCSSYHIL-UHFFFAOYSA-N 0 3 417.937 2.598 20 0 HFADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328487 1079601298 /nfs/dbraw/zinc/60/12/98/1079601298.db2.gz GMDMOOXAXMIQTM-PMACEKPBSA-N 0 3 421.969 2.603 20 0 HFADHN C[C@@]1(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CCN(Cc2ccccc2)C1 ZINC001130609280 1079628255 /nfs/dbraw/zinc/62/82/55/1079628255.db2.gz DZGXAXCJPNVNKF-XMMPIXPASA-N 0 3 405.498 2.730 20 0 HFADHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473479 1079704585 /nfs/dbraw/zinc/70/45/85/1079704585.db2.gz RBDLNGAOFFPUKB-IFXJQAMLSA-N 0 3 422.526 2.860 20 0 HFADHN COc1ccccc1[C@H](CNC(=O)N1CCN2CCC1CC2)NC(=O)OC(C)(C)C ZINC000806460742 1079734000 /nfs/dbraw/zinc/73/40/00/1079734000.db2.gz MGXMAIXLMXXXNM-SFHVURJKSA-N 0 3 418.538 2.751 20 0 HFADHN COC(=O)N1CCC(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000806533801 1079806900 /nfs/dbraw/zinc/80/69/00/1079806900.db2.gz IFOGNTSQEJTVJU-IBGZPJMESA-N 0 3 406.527 2.607 20 0 HFADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806595046 1079836972 /nfs/dbraw/zinc/83/69/72/1079836972.db2.gz MJDNXHVJSDDQGB-UHFFFAOYSA-N 0 3 423.344 2.638 20 0 HFADHN CS[C@@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@H]1N(C)C ZINC000772847534 1079861094 /nfs/dbraw/zinc/86/10/94/1079861094.db2.gz TXAMPWSCOADFMG-QZTJIDSGSA-N 0 3 419.591 2.553 20 0 HFADHN Cc1cccn2cc(COc3ccc(C(=O)NC[C@@H]4CN5CCC[C@@H]5CO4)cc3)nc12 ZINC000747341895 1079876215 /nfs/dbraw/zinc/87/62/15/1079876215.db2.gz IPBLNLHOYOFCHO-IFMALSPDSA-N 0 3 420.513 2.815 20 0 HFADHN CN1CC[C@@](O)(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679588 1079908953 /nfs/dbraw/zinc/90/89/53/1079908953.db2.gz DIAINYLXLAJBCX-GOEBONIOSA-N 0 3 419.740 2.945 20 0 HFADHN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1 ZINC001130742354 1080006302 /nfs/dbraw/zinc/00/63/02/1080006302.db2.gz TULNEVXBVBSCSL-MOPGFXCFSA-N 0 3 417.550 2.621 20 0 HFADHN Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130742448 1080006589 /nfs/dbraw/zinc/00/65/89/1080006589.db2.gz XWMHZTBOFUFVEI-UHFFFAOYSA-N 0 3 411.550 2.956 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)N1CCCCC1 ZINC000806856710 1080060500 /nfs/dbraw/zinc/06/05/00/1080060500.db2.gz JNCRTYMXBRHSBR-KGLIPLIRSA-N 0 3 401.429 2.945 20 0 HFADHN COc1ccc2cc(NC(=O)C(=O)NCC(C)(C)N3CCC(OC)CC3)ccc2c1 ZINC000806892015 1080099377 /nfs/dbraw/zinc/09/93/77/1080099377.db2.gz WKMJRVDBYDZOMY-UHFFFAOYSA-N 0 3 413.518 2.793 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000806904232 1080110324 /nfs/dbraw/zinc/11/03/24/1080110324.db2.gz XNNDMKPSYMPHSD-IBGZPJMESA-N 0 3 412.575 2.575 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077284 1080258792 /nfs/dbraw/zinc/25/87/92/1080258792.db2.gz FPMLDSGBYZUDQL-DXWLRKQOSA-N 0 3 405.539 2.919 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000807113850 1080290603 /nfs/dbraw/zinc/29/06/03/1080290603.db2.gz IKECZIJJASANGP-YZGWKJHDSA-N 0 3 402.539 2.817 20 0 HFADHN CN(C)C[C@H](NC(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1 ZINC000807123246 1080296168 /nfs/dbraw/zinc/29/61/68/1080296168.db2.gz HLZOLLNDPMKKQG-FUHYEJFZSA-N 0 3 400.498 2.953 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000807148368 1080304912 /nfs/dbraw/zinc/30/49/12/1080304912.db2.gz CFACBMAFSBVIHO-AYBZRNKSSA-N 0 3 408.518 2.985 20 0 HFADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000807149629 1080306921 /nfs/dbraw/zinc/30/69/21/1080306921.db2.gz FVHOGSOSOBWCJS-BEFAXECRSA-N 0 3 408.518 2.985 20 0 HFADHN C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000807177449 1080369658 /nfs/dbraw/zinc/36/96/58/1080369658.db2.gz YTPVFIIDWDOSTQ-WFASDCNBSA-N 0 3 415.763 2.596 20 0 HFADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1nc(Br)sc1C1CC1 ZINC000807265316 1080417519 /nfs/dbraw/zinc/41/75/19/1080417519.db2.gz YJQRXMITNDYLSG-LLVKDONJSA-N 0 3 401.374 2.539 20 0 HFADHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000747383998 1080441610 /nfs/dbraw/zinc/44/16/10/1080441610.db2.gz PREVYSSWGTWUQX-UHFFFAOYSA-N 0 3 424.574 2.918 20 0 HFADHN C[C@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000807401078 1080596541 /nfs/dbraw/zinc/59/65/41/1080596541.db2.gz ISNSORHDNAIISL-WMZOPIPTSA-N 0 3 403.596 2.886 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cnc(C2OCCO2)s1 ZINC000807450371 1080629996 /nfs/dbraw/zinc/62/99/96/1080629996.db2.gz ZOAJLLUDUDCNST-UHFFFAOYSA-N 0 3 405.442 2.724 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc4oc(C(N)=O)nc4c3)cc2)CC1 ZINC001130962287 1080647987 /nfs/dbraw/zinc/64/79/87/1080647987.db2.gz BKZKPZYVIDSIGL-UHFFFAOYSA-N 0 3 407.474 2.709 20 0 HFADHN CC[C@@H](C)N[C@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441171 1080661844 /nfs/dbraw/zinc/66/18/44/1080661844.db2.gz BPWKLJDVJLRPOS-HZPDHXFCSA-N 0 3 407.584 2.917 20 0 HFADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000807500108 1080697775 /nfs/dbraw/zinc/69/77/75/1080697775.db2.gz NXMGNUJILXVAJS-RDJZCZTQSA-N 0 3 418.538 2.509 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522183 1080774191 /nfs/dbraw/zinc/77/41/91/1080774191.db2.gz SSCHZXLHOFENTD-IBGZPJMESA-N 0 3 412.509 2.658 20 0 HFADHN Cc1cccc(F)c1CNC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000807521932 1080774688 /nfs/dbraw/zinc/77/46/88/1080774688.db2.gz PZHFLHXFRKVHQR-UHFFFAOYSA-N 0 3 415.431 2.672 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000747406053 1080791891 /nfs/dbraw/zinc/79/18/91/1080791891.db2.gz VQGSKXWTIFJMOY-INIZCTEOSA-N 0 3 403.552 2.575 20 0 HFADHN Cc1cccn2c(=O)cc(CN[C@](C)(CO)Cc3ccc(Br)cc3)nc12 ZINC001460859522 1126192595 /nfs/dbraw/zinc/19/25/95/1126192595.db2.gz FDDGPZTXQHSHAP-FQEVSTJZSA-N 0 3 416.319 2.849 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389893 718824493 /nfs/dbraw/zinc/82/44/93/718824493.db2.gz KLDHHYWVXKKRIB-SJORKVTESA-N 0 3 413.591 2.733 20 0 HFADHN CCOc1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865434 721096202 /nfs/dbraw/zinc/09/62/02/721096202.db2.gz LHUXLQRJCJMPRD-AZUAARDMSA-N 0 3 405.502 2.903 20 0 HFADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863466 721112753 /nfs/dbraw/zinc/11/27/53/721112753.db2.gz CIKRKHNFOAHZLN-VQTJNVASSA-N 0 3 418.497 2.896 20 0 HFADHN COC(=O)c1ccc2ccnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164764825 721113636 /nfs/dbraw/zinc/11/36/36/721113636.db2.gz IBXVCDASRWVIQM-WOJBJXKFSA-N 0 3 405.502 2.713 20 0 HFADHN COc1ccc2nc(Cl)cc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2n1 ZINC001164765674 721143002 /nfs/dbraw/zinc/14/30/02/721143002.db2.gz KBJQVIUKBXVWBG-CVEARBPZSA-N 0 3 412.925 2.984 20 0 HFADHN CSc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164869309 721188928 /nfs/dbraw/zinc/18/89/28/721188928.db2.gz QFSBUMNRRDXWGD-HZPDHXFCSA-N 0 3 403.577 2.795 20 0 HFADHN COc1ccccc1-c1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ncn1 ZINC001164762638 721210795 /nfs/dbraw/zinc/21/07/95/721210795.db2.gz DBTCDFITVPVJRV-RTBURBONSA-N 0 3 404.518 2.844 20 0 HFADHN Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164768442 721219632 /nfs/dbraw/zinc/21/96/32/721219632.db2.gz KZSKSDTVVNTGNB-SFTDATJTSA-N 0 3 403.534 2.847 20 0 HFADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(CN(C)C)ccn3)C2)C1 ZINC001164784136 721370405 /nfs/dbraw/zinc/37/04/05/721370405.db2.gz QLYWYIBTKVTXAC-QHCPKHFHSA-N 0 3 413.566 2.867 20 0 HFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892506 721417221 /nfs/dbraw/zinc/41/72/21/721417221.db2.gz YPECOUBUILWDML-MHECFPHRSA-N 0 3 420.561 2.877 20 0 HFADHN COC(=O)c1ccc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900744 721517221 /nfs/dbraw/zinc/51/72/21/721517221.db2.gz UNAWGNXOIBQQFE-UYAOXDASSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1cccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc21 ZINC001164900682 721524804 /nfs/dbraw/zinc/52/48/04/721524804.db2.gz SYOQONIEYZQGEO-FUHWJXTLSA-N 0 3 422.460 2.897 20 0 HFADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911028 721539576 /nfs/dbraw/zinc/53/95/76/721539576.db2.gz VEMMPUYVCFQIHM-WMZOPIPTSA-N 0 3 415.465 2.748 20 0 HFADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164903100 721560801 /nfs/dbraw/zinc/56/08/01/721560801.db2.gz AKRFZPWFIFPNBI-HKUYNNGSSA-N 0 3 415.538 2.511 20 0 HFADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903483 721562631 /nfs/dbraw/zinc/56/26/31/721562631.db2.gz BJKRRHCBEDRTDP-WMZOPIPTSA-N 0 3 414.481 2.697 20 0 HFADHN CN(Cc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164812239 721583217 /nfs/dbraw/zinc/58/32/17/721583217.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 0 3 407.562 2.939 20 0 HFADHN NC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907512 721586380 /nfs/dbraw/zinc/58/63/80/721586380.db2.gz UZNAPEPMJUXVDH-LJQANCHMSA-N 0 3 421.879 2.967 20 0 HFADHN COc1cc2ccnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c2cc1OC ZINC001165011569 721739144 /nfs/dbraw/zinc/73/91/44/721739144.db2.gz QYABWXAQHKHDGS-UHFFFAOYSA-N 0 3 412.534 2.775 20 0 HFADHN CN(Cc1ccc(N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1)C1CC1 ZINC001164920698 721836919 /nfs/dbraw/zinc/83/69/19/721836919.db2.gz APEFEWFASFTRRY-REWPJTCUSA-N 0 3 408.550 2.730 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164985139 722100328 /nfs/dbraw/zinc/10/03/28/722100328.db2.gz UZGXIQHWZSNECX-GDBMZVCRSA-N 0 3 416.888 2.873 20 0 HFADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CSC2 ZINC001164982728 722108684 /nfs/dbraw/zinc/10/86/84/722108684.db2.gz XUTALWWDVLBPBJ-CRAIPNDOSA-N 0 3 417.966 2.999 20 0 HFADHN CCOC(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164981826 722108837 /nfs/dbraw/zinc/10/88/37/722108837.db2.gz VGFWTRAIIUSVPE-FPOVZHCZSA-N 0 3 410.518 2.689 20 0 HFADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974903 722115572 /nfs/dbraw/zinc/11/55/72/722115572.db2.gz IVIDXQKPGHJLNK-UXHICEINSA-N 0 3 410.518 2.607 20 0 HFADHN FC(F)(c1cnnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973056 722119302 /nfs/dbraw/zinc/11/93/02/722119302.db2.gz GGRDSGXETQJFII-RDJZCZTQSA-N 0 3 409.868 2.797 20 0 HFADHN CCOC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164972493 722122432 /nfs/dbraw/zinc/12/24/32/722122432.db2.gz FRYLJFQSSPPORB-PZJWPPBQSA-N 0 3 410.518 2.689 20 0 HFADHN FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978862 722134260 /nfs/dbraw/zinc/13/42/60/722134260.db2.gz KBQKMFIQDIMGNI-CVEARBPZSA-N 0 3 409.868 2.797 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973276 722138214 /nfs/dbraw/zinc/13/82/14/722138214.db2.gz BQRYRLJOACXHCS-LEWJYISDSA-N 0 3 408.550 2.589 20 0 HFADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164983354 722138239 /nfs/dbraw/zinc/13/82/39/722138239.db2.gz UOUKDXIJGLQOKM-YADHBBJMSA-N 0 3 416.529 2.969 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164977090 722149827 /nfs/dbraw/zinc/14/98/27/722149827.db2.gz IRLHXPLUGVWHGZ-YADHBBJMSA-N 0 3 422.577 2.979 20 0 HFADHN CN(Cc1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1)C1CC1 ZINC001165004417 722268943 /nfs/dbraw/zinc/26/89/43/722268943.db2.gz ASKVNXHWGIBCAD-XMMPIXPASA-N 0 3 423.536 2.742 20 0 HFADHN CN(Cc1ccc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1)C1CC1 ZINC001165004409 722268977 /nfs/dbraw/zinc/26/89/77/722268977.db2.gz ASKVNXHWGIBCAD-DEOSSOPVSA-N 0 3 423.536 2.742 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995935 1078044150 /nfs/dbraw/zinc/04/41/50/1078044150.db2.gz CTFKKUPSJNXVBE-LMNJBCLMSA-N 0 3 414.550 2.817 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](C)C2=CCN(C)CC2)cn1 ZINC000790468689 1078045517 /nfs/dbraw/zinc/04/55/17/1078045517.db2.gz RUKQVRPMALDKRC-PGRDOPGGSA-N 0 3 411.550 2.799 20 0 HFADHN O=C(N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(F)(F)C1CCOCC1 ZINC000790549083 1078053765 /nfs/dbraw/zinc/05/37/65/1078053765.db2.gz UYBGGOBHMFDMDX-GOSISDBHSA-N 0 3 422.520 2.504 20 0 HFADHN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000790574169 1078056170 /nfs/dbraw/zinc/05/61/70/1078056170.db2.gz CCWBMZCEFXIMIU-GOSISDBHSA-N 0 3 413.559 2.705 20 0 HFADHN O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)Nc1cccc(Br)n1 ZINC000793067362 1078061238 /nfs/dbraw/zinc/06/12/38/1078061238.db2.gz HGIGPHUAGKJOEH-UHFFFAOYSA-N 0 3 423.355 2.945 20 0 HFADHN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc4c(c3)OCCO4)cc2)C1=O ZINC000790612295 1078075248 /nfs/dbraw/zinc/07/52/48/1078075248.db2.gz WSALVVSRTUXNSK-HSZRJFAPSA-N 0 3 407.470 2.973 20 0 HFADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153499 1078091834 /nfs/dbraw/zinc/09/18/34/1078091834.db2.gz KDFWXEPFFODHNU-LPHOPBHVSA-N 0 3 402.926 2.759 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000793235362 1078102851 /nfs/dbraw/zinc/10/28/51/1078102851.db2.gz OKLBNIYMBDLIQJ-UHFFFAOYSA-N 0 3 421.950 2.894 20 0 HFADHN CC(C)[C@H](NCc1ccc2c(c1)CC(C)(C)O2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247073 1078109972 /nfs/dbraw/zinc/10/99/72/1078109972.db2.gz MGYDFNPKOBCXJH-NRFANRHFSA-N 0 3 411.550 2.711 20 0 HFADHN C[C@H](NC(=O)c1nc(Br)ccc1Br)C1=CCN(C)CC1 ZINC000790867565 1078164098 /nfs/dbraw/zinc/16/40/98/1078164098.db2.gz UWRDZQOBTRYZDZ-VIFPVBQESA-N 0 3 403.118 2.987 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC000793514501 1078196650 /nfs/dbraw/zinc/19/66/50/1078196650.db2.gz DHJRFPGKCVQLPJ-LJQANCHMSA-N 0 3 411.502 2.620 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793609491 1078227481 /nfs/dbraw/zinc/22/74/81/1078227481.db2.gz KUUVBHSXAUOQIP-XZOQPEGZSA-N 0 3 423.557 2.656 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000793609489 1078227522 /nfs/dbraw/zinc/22/75/22/1078227522.db2.gz KUUVBHSXAUOQIP-PKTZIBPZSA-N 0 3 423.557 2.656 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001170436378 1078248845 /nfs/dbraw/zinc/24/88/45/1078248845.db2.gz HZBVAHSDOZDGFG-SFHVURJKSA-N 0 3 421.501 2.860 20 0 HFADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747144789 1078262574 /nfs/dbraw/zinc/26/25/74/1078262574.db2.gz KLWBAIQCIIWQDP-UHFFFAOYSA-N 0 3 415.534 2.503 20 0 HFADHN Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793714590 1078262699 /nfs/dbraw/zinc/26/26/99/1078262699.db2.gz PYKPIKOVZSWEIL-FQEVSTJZSA-N 0 3 408.546 2.909 20 0 HFADHN COc1ccc(CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)[C@@H](C)C2CC2)cc1 ZINC000793716157 1078262977 /nfs/dbraw/zinc/26/29/77/1078262977.db2.gz XKYOSKOSUNZOFR-MSOLQXFVSA-N 0 3 401.551 2.813 20 0 HFADHN Cc1nc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000793718016 1078263923 /nfs/dbraw/zinc/26/39/23/1078263923.db2.gz ABYIZEYULMOQRM-AWEZNQCLSA-N 0 3 418.925 2.910 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)N1CCCCC1 ZINC000793727526 1078268712 /nfs/dbraw/zinc/26/87/12/1078268712.db2.gz UEQFASUNHSXSLG-HMXCVIKNSA-N 0 3 401.551 2.603 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br)N1CCCCC1 ZINC000793708984 1078277881 /nfs/dbraw/zinc/27/78/81/1078277881.db2.gz NKYYZIOQLVKFEW-OAHLLOKOSA-N 0 3 424.383 2.834 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)N1CCCCC1 ZINC000793697058 1078271946 /nfs/dbraw/zinc/27/19/46/1078271946.db2.gz GLJMMZKJOXMGGC-HOTGVXAUSA-N 0 3 405.514 2.782 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000793695675 1078271988 /nfs/dbraw/zinc/27/19/88/1078271988.db2.gz FBPGRWVAWJWAOA-OXQOHEQNSA-N 0 3 421.969 2.603 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCCCC1 ZINC000793698391 1078272465 /nfs/dbraw/zinc/27/24/65/1078272465.db2.gz KAANTUBOAZWIHE-KDOFPFPSSA-N 0 3 409.477 2.772 20 0 HFADHN N=C(NOCc1cccc(Br)n1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000793845963 1078313291 /nfs/dbraw/zinc/31/32/91/1078313291.db2.gz YMFDXTZKJAIPIZ-MRXNPFEDSA-N 0 3 405.296 2.744 20 0 HFADHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC000793855093 1078324442 /nfs/dbraw/zinc/32/44/42/1078324442.db2.gz XRZJVGCBIDMMBH-IEBWSBKVSA-N 0 3 415.559 2.641 20 0 HFADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793905017 1078334095 /nfs/dbraw/zinc/33/40/95/1078334095.db2.gz ZCQXTOYEDCTNGF-OPYAIIAOSA-N 0 3 401.551 2.507 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793978683 1078350978 /nfs/dbraw/zinc/35/09/78/1078350978.db2.gz BHUXSBXWQFQVSI-AQNXPRMDSA-N 0 3 424.545 2.815 20 0 HFADHN CN(C(=O)OC(C)(C)C)C1CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794367870 1078427365 /nfs/dbraw/zinc/42/73/65/1078427365.db2.gz WZRWKSDUIMFVGU-MRXNPFEDSA-N 0 3 401.548 2.593 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455330 1078556895 /nfs/dbraw/zinc/55/68/95/1078556895.db2.gz HXSXEIMAFYULLI-KSFYIVLOSA-N 0 3 420.506 2.879 20 0 HFADHN COCCCN(C(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 ZINC001129600345 1078574257 /nfs/dbraw/zinc/57/42/57/1078574257.db2.gz LWMPCEOFJMOHRC-AEFFLSMTSA-N 0 3 415.550 2.541 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C ZINC000804565876 1078601495 /nfs/dbraw/zinc/60/14/95/1078601495.db2.gz HCRZYWUMPFZFRF-HEHNFIMWSA-N 0 3 412.538 2.713 20 0 HFADHN O=C(Nc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1)Nc1ccccc1 ZINC000747214717 1078634478 /nfs/dbraw/zinc/63/44/78/1078634478.db2.gz AQXRGNIPXRPLFN-JKSUJKDBSA-N 0 3 400.504 2.985 20 0 HFADHN Cc1ccc([C@@H](CNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)N2CCCC2)cc1 ZINC000747216874 1078659770 /nfs/dbraw/zinc/65/97/70/1078659770.db2.gz AXZBWDLPNJKUCN-XLIONFOSSA-N 0 3 424.467 2.822 20 0 HFADHN Cc1cccc2[nH]cc(CCNC(=O)C(=O)N(CCc3ccccc3)CCN(C)C)c21 ZINC000804622103 1078671672 /nfs/dbraw/zinc/67/16/72/1078671672.db2.gz RULGGQBZEHVYDX-UHFFFAOYSA-N 0 3 420.557 2.768 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000804952090 1078779922 /nfs/dbraw/zinc/77/99/22/1078779922.db2.gz IJPQWOLDEAHNQP-ZEQRLZLVSA-N 0 3 424.589 2.960 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)cc1 ZINC000804949607 1078778160 /nfs/dbraw/zinc/77/81/60/1078778160.db2.gz UOVOTPOYSAHFOH-XMMPIXPASA-N 0 3 424.589 2.919 20 0 HFADHN O=S(=O)([N-]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000804993774 1078844610 /nfs/dbraw/zinc/84/46/10/1078844610.db2.gz VGDYCFHWXMPFJC-UHFFFAOYSA-N 0 3 413.902 2.827 20 0 HFADHN CC(C)N(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130057687 1078881023 /nfs/dbraw/zinc/88/10/23/1078881023.db2.gz LRJNFOLYYYSVEJ-JTHBVZDNSA-N 0 3 420.557 2.942 20 0 HFADHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001130099494 1078949957 /nfs/dbraw/zinc/94/99/57/1078949957.db2.gz VKHJMHOJQFYNCN-FQEVSTJZSA-N 0 3 421.607 2.890 20 0 HFADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747231760 1078950730 /nfs/dbraw/zinc/95/07/30/1078950730.db2.gz NNZJWXIYTMIOKQ-IACUBPJLSA-N 0 3 417.731 2.849 20 0 HFADHN CCCCCCn1nc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c2ccccc2c1=O ZINC000747236311 1078994787 /nfs/dbraw/zinc/99/47/87/1078994787.db2.gz LIUDQTLXFLOLJS-ROUUACIJSA-N 0 3 412.534 2.570 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCC2)c(Cl)cc1Cl ZINC000747241728 1079056788 /nfs/dbraw/zinc/05/67/88/1079056788.db2.gz PNGOVKOMEMAPFY-UHFFFAOYSA-N 0 3 409.335 2.934 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]CCC[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000747241728 1079056792 /nfs/dbraw/zinc/05/67/92/1079056792.db2.gz PNGOVKOMEMAPFY-UHFFFAOYSA-N 0 3 409.335 2.934 20 0 HFADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)cc2)C1 ZINC001130300781 1079192185 /nfs/dbraw/zinc/19/21/85/1079192185.db2.gz DIYYXOOMQJITHL-QMMLZNLJSA-N 0 3 419.591 2.854 20 0 HFADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc2)C1 ZINC001130300778 1079192218 /nfs/dbraw/zinc/19/22/18/1079192218.db2.gz DIYYXOOMQJITHL-JRGCBEDISA-N 0 3 419.591 2.854 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000805831804 1079300276 /nfs/dbraw/zinc/30/02/76/1079300276.db2.gz RWRCETKLMDGKPU-HXUWFJFHSA-N 0 3 402.539 2.910 20 0 HFADHN O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(CN2CCCC2)c1 ZINC000805872390 1079314136 /nfs/dbraw/zinc/31/41/36/1079314136.db2.gz OJPVWWVGAMWUJJ-UHFFFAOYSA-N 0 3 407.470 2.945 20 0 HFADHN Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1)CCC2 ZINC000805942333 1079345246 /nfs/dbraw/zinc/34/52/46/1079345246.db2.gz IWAKHSYBJCGOCA-KSSFIOAISA-N 0 3 400.548 2.582 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](CCNC(C)=O)C3)cc2)CC1 ZINC000806154722 1079470571 /nfs/dbraw/zinc/47/05/71/1079470571.db2.gz JGQWGVPTMNIQDS-LJQANCHMSA-N 0 3 401.555 2.599 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000806173737 1079463381 /nfs/dbraw/zinc/46/33/81/1079463381.db2.gz MHNZXYQGSXSQHO-UHFFFAOYSA-N 0 3 412.556 2.598 20 0 HFADHN CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000806174392 1079464151 /nfs/dbraw/zinc/46/41/51/1079464151.db2.gz WHLQGKKTBPUOBF-DNVCBOLYSA-N 0 3 420.535 2.681 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322288 1076766461 /nfs/dbraw/zinc/76/64/61/1076766461.db2.gz CZESIGJXWQVRAU-SQNIBIBYSA-N 0 3 424.586 2.717 20 0 HFADHN CC(C)N1CCC[C@@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529717 1076849722 /nfs/dbraw/zinc/84/97/22/1076849722.db2.gz KJNBZIXGLYTUFY-JKSUJKDBSA-N 0 3 405.543 2.737 20 0 HFADHN C[C@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674490 1076890013 /nfs/dbraw/zinc/89/00/13/1076890013.db2.gz HRILGBLJYYYGTJ-KBPBESRZSA-N 0 3 401.429 2.611 20 0 HFADHN Cc1cc2oc(=O)cc(CN3CCC(n4cnc(C(N)=O)c4N)CC3)c2cc1C(C)C ZINC000787676337 1076890278 /nfs/dbraw/zinc/89/02/78/1076890278.db2.gz MTDXTCSKAMONPC-UHFFFAOYSA-N 0 3 423.517 2.940 20 0 HFADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000787652255 1076898124 /nfs/dbraw/zinc/89/81/24/1076898124.db2.gz LRSNTMLQHBEDGM-KRWDZBQOSA-N 0 3 411.468 2.869 20 0 HFADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668850 1076905154 /nfs/dbraw/zinc/90/51/54/1076905154.db2.gz HPOAZHXSCLPLJI-RDJZCZTQSA-N 0 3 411.468 2.869 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000787679575 1076908939 /nfs/dbraw/zinc/90/89/39/1076908939.db2.gz TUZUDKZFCSCRMS-LJQANCHMSA-N 0 3 421.541 2.795 20 0 HFADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000787753394 1076927355 /nfs/dbraw/zinc/92/73/55/1076927355.db2.gz YLMPEWKVXXLYJI-KGLIPLIRSA-N 0 3 401.429 2.753 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759415 1076929055 /nfs/dbraw/zinc/92/90/55/1076929055.db2.gz GELYJUGJHUJMHC-ULQDDVLXSA-N 0 3 412.527 2.593 20 0 HFADHN C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000787871576 1076967916 /nfs/dbraw/zinc/96/79/16/1076967916.db2.gz BRFKRWYMGVZOKZ-RBUKOAKNSA-N 0 3 424.545 2.828 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)N1CCCCC1 ZINC000787871575 1076967943 /nfs/dbraw/zinc/96/79/43/1076967943.db2.gz BRFKRWYMGVZOKZ-OALUTQOASA-N 0 3 424.545 2.828 20 0 HFADHN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000787924813 1076999356 /nfs/dbraw/zinc/99/93/56/1076999356.db2.gz KVHPNHRSSWYZMT-JOCHJYFZSA-N 0 3 417.513 2.552 20 0 HFADHN C[C@H](NCc1cnc(C2OCCO2)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000787926814 1077000446 /nfs/dbraw/zinc/00/04/46/1077000446.db2.gz XNWJVYPIIDNEJR-AWEZNQCLSA-N 0 3 406.527 2.930 20 0 HFADHN CCN1CCN(Cc2ccc(CNC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788167328 1077073316 /nfs/dbraw/zinc/07/33/16/1077073316.db2.gz PAQUGBAJFQLIPR-UHFFFAOYSA-N 0 3 415.578 2.764 20 0 HFADHN COc1ccc([C@@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)N2CCCC2)cc1 ZINC000788260774 1077088335 /nfs/dbraw/zinc/08/83/35/1077088335.db2.gz HFLVYPXCRBRRKX-QFBILLFUSA-N 0 3 410.522 2.525 20 0 HFADHN COC(=O)/C=C\c1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c(OC)c1 ZINC000788421976 1077140301 /nfs/dbraw/zinc/14/03/01/1077140301.db2.gz MGEYPNCWNKHQMX-WQLSENKSSA-N 0 3 405.472 2.711 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000788481949 1077174947 /nfs/dbraw/zinc/17/49/47/1077174947.db2.gz DPRFWRWSXVARKU-JOCHJYFZSA-N 0 3 407.558 2.856 20 0 HFADHN COc1ccccc1[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1nccn1C ZINC000788593348 1077215795 /nfs/dbraw/zinc/21/57/95/1077215795.db2.gz XIMQKATYMUJOOO-FQEVSTJZSA-N 0 3 414.531 2.558 20 0 HFADHN CC(=O)Nc1ccc(CN[C@@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607610 1077222509 /nfs/dbraw/zinc/22/25/09/1077222509.db2.gz WCTCZNWCVQRNKX-JXFKEZNVSA-N 0 3 412.490 2.556 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)=NO1 ZINC000788621921 1077232185 /nfs/dbraw/zinc/23/21/85/1077232185.db2.gz ZBVNHVVQCGNTOI-PKOBYXMFSA-N 0 3 416.522 2.609 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000788632369 1077237362 /nfs/dbraw/zinc/23/73/62/1077237362.db2.gz WJNHNTBRVIXBAZ-QGZVFWFLSA-N 0 3 402.438 2.779 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c(C)c1Cl ZINC000788636594 1077241600 /nfs/dbraw/zinc/24/16/00/1077241600.db2.gz SAJCWJDGCUBZGZ-GFCCVEGCSA-N 0 3 408.973 2.991 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000788679408 1077247702 /nfs/dbraw/zinc/24/77/02/1077247702.db2.gz GYIJPEHPLIVHGZ-UHFFFAOYSA-N 0 3 423.579 2.912 20 0 HFADHN CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788687838 1077251523 /nfs/dbraw/zinc/25/15/23/1077251523.db2.gz GETRCAHRVUHRND-YADHBBJMSA-N 0 3 406.530 2.703 20 0 HFADHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788665003 1077259471 /nfs/dbraw/zinc/25/94/71/1077259471.db2.gz IJAPJAKQRGCKDX-ZDUSSCGKSA-N 0 3 406.880 2.686 20 0 HFADHN Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc(N2CCN(C(C)C)CC2)c1 ZINC000791118731 1077302929 /nfs/dbraw/zinc/30/29/29/1077302929.db2.gz CEEUXYBGYRFMSF-UHFFFAOYSA-N 0 3 413.522 2.606 20 0 HFADHN CC(C)[C@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000788861638 1077322905 /nfs/dbraw/zinc/32/29/05/1077322905.db2.gz VDFVQWSGBMWIRX-ZEQRLZLVSA-N 0 3 424.589 2.991 20 0 HFADHN CC(C)[C@@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000788861636 1077322953 /nfs/dbraw/zinc/32/29/53/1077322953.db2.gz VDFVQWSGBMWIRX-DNQXCXABSA-N 0 3 424.589 2.991 20 0 HFADHN CC1=C(C(=O)Nc2ccc(CCN3CCSCC3)cc2)[C@@H](C)n2ncnc2N1C ZINC000791215244 1077332816 /nfs/dbraw/zinc/33/28/16/1077332816.db2.gz TZRJMKJZFHXIFP-MRXNPFEDSA-N 0 3 412.563 2.793 20 0 HFADHN O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000772727130 1077346114 /nfs/dbraw/zinc/34/61/14/1077346114.db2.gz BVIRJPZRSWXPFG-GOSISDBHSA-N 0 3 409.515 2.694 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000747015142 1077423444 /nfs/dbraw/zinc/42/34/44/1077423444.db2.gz SLJRVNVAMFTMLL-HXUWFJFHSA-N 0 3 406.530 2.783 20 0 HFADHN CN1CCN(c2ccncc2NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000791541894 1077459242 /nfs/dbraw/zinc/45/92/42/1077459242.db2.gz CXEDFKWUNRIMCM-GOSISDBHSA-N 0 3 417.307 2.538 20 0 HFADHN COC(=O)CC1(NCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000791589619 1077493558 /nfs/dbraw/zinc/49/35/58/1077493558.db2.gz QNQDTVCVXPGWKW-CALCHBBNSA-N 0 3 403.523 2.704 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)c1 ZINC000791596147 1077496762 /nfs/dbraw/zinc/49/67/62/1077496762.db2.gz YTEDWRUSHCZFFC-MBSDFSHPSA-N 0 3 423.513 2.978 20 0 HFADHN COC(=O)C1CCN(C(=O)[C@H](C)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315220 1077516169 /nfs/dbraw/zinc/51/61/69/1077516169.db2.gz PGXWAGXIEVQIOF-HNNXBMFYSA-N 0 3 423.941 2.626 20 0 HFADHN O=c1[nH]ccc2cc(NNC(=S)NC3CCN(Cc4ccccc4)CC3)ccc21 ZINC000789320396 1077517745 /nfs/dbraw/zinc/51/77/45/1077517745.db2.gz SSZGJLYUFNKSOY-UHFFFAOYSA-N 0 3 407.543 2.984 20 0 HFADHN CCOC(=O)Nc1ccc2c(CN(C)[C@H](C)CN3CCOCC3)cc(=O)oc2c1 ZINC000789333577 1077525835 /nfs/dbraw/zinc/52/58/35/1077525835.db2.gz BNUIEQHSJUHVRW-OAHLLOKOSA-N 0 3 403.479 2.514 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc(C2CCC2)cs1 ZINC000789377107 1077545475 /nfs/dbraw/zinc/54/54/75/1077545475.db2.gz GQCXHIYZWSEHCJ-UHFFFAOYSA-N 0 3 400.548 2.982 20 0 HFADHN COC(=O)C1=C(CN2CCC[C@@]2(CO)CC(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000789504094 1077598535 /nfs/dbraw/zinc/59/85/35/1077598535.db2.gz LTZBCUAOBIAHNG-OFNKIYASSA-N 0 3 415.534 2.683 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCc1c(C)nc2ncnn2c1C ZINC000791979400 1077620048 /nfs/dbraw/zinc/62/00/48/1077620048.db2.gz CWCRXPOYXOESLT-FPOVZHCZSA-N 0 3 404.518 2.817 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](NC(=O)C(=O)Nc3cccc(CN(C)C)c3)C2=O)c(C)c1 ZINC000789624153 1077694506 /nfs/dbraw/zinc/69/45/06/1077694506.db2.gz FTMQTDSOIKOYGO-FQEVSTJZSA-N 0 3 422.529 2.534 20 0 HFADHN C[C@H](NC1CCN(CCN2CCOCC2)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792182887 1077737187 /nfs/dbraw/zinc/73/71/87/1077737187.db2.gz ZOHUYTYRZHAAMN-INIZCTEOSA-N 0 3 419.957 2.837 20 0 HFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nc(Br)ccc1F ZINC000792285680 1077775476 /nfs/dbraw/zinc/77/54/76/1077775476.db2.gz OECXVFGNIROMHK-GDBMZVCRSA-N 0 3 422.298 2.596 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@H]1CCCC2(C1)OCCO2 ZINC000792275043 1077789542 /nfs/dbraw/zinc/78/95/42/1077789542.db2.gz IIRBCTFKKPNHJQ-FHERZECASA-N 0 3 405.461 2.777 20 0 HFADHN COc1ccccc1[C@@H](O)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792276922 1077791213 /nfs/dbraw/zinc/79/12/13/1077791213.db2.gz IEVBVJOHENPCQY-DQPZFDDXSA-N 0 3 415.456 2.833 20 0 HFADHN Cn1cc(C(=O)OC2CCN(CCOc3cccc(Br)c3)CC2)cn1 ZINC000789793662 1077800904 /nfs/dbraw/zinc/80/09/04/1077800904.db2.gz GQACTEDRGIQJFO-UHFFFAOYSA-N 0 3 408.296 2.883 20 0 HFADHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332930 1077821807 /nfs/dbraw/zinc/82/18/07/1077821807.db2.gz IQCQGHPTJOWSTH-MSOLQXFVSA-N 0 3 409.571 2.783 20 0 HFADHN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332257 1077822569 /nfs/dbraw/zinc/82/25/69/1077822569.db2.gz UQXGFBDDHOMGGI-INIZCTEOSA-N 0 3 410.559 2.722 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(CC(=O)N3CCOC[C@H]3C3CC3)CC2)CC1 ZINC000792333298 1077822741 /nfs/dbraw/zinc/82/27/41/1077822741.db2.gz MOKMCXMXBIDCKK-IBGZPJMESA-N 0 3 421.582 2.737 20 0 HFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000792421589 1077850422 /nfs/dbraw/zinc/85/04/22/1077850422.db2.gz SQMZBBCMMMLXNH-MRXNPFEDSA-N 0 3 420.554 2.757 20 0 HFADHN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000746870992 1077913817 /nfs/dbraw/zinc/91/38/17/1077913817.db2.gz AUKZIBQWSLRUOJ-QGZVFWFLSA-N 0 3 420.510 2.644 20 0 HFADHN COC(=O)c1cc(Br)cc(NCC2CN(C)C2)c1NC(=O)C(F)(F)F ZINC001170256804 1077919894 /nfs/dbraw/zinc/91/98/94/1077919894.db2.gz XBJBDYPJURQRQM-UHFFFAOYSA-N 0 3 424.217 2.710 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC000790047634 1077927681 /nfs/dbraw/zinc/92/76/81/1077927681.db2.gz AMFUOJREOPGLNG-UHFFFAOYSA-N 0 3 409.405 2.987 20 0 HFADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049428 1077929550 /nfs/dbraw/zinc/92/95/50/1077929550.db2.gz GIGXZOJELFBBQI-UXHICEINSA-N 0 3 414.594 2.572 20 0 HFADHN CN([C@H]1CCN(C2CCOCC2)C1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790320473 1077996639 /nfs/dbraw/zinc/99/66/39/1077996639.db2.gz RSPDXKJGWFGNCD-SWDXFRIISA-N 0 3 407.555 2.629 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000792880773 1078016645 /nfs/dbraw/zinc/01/66/45/1078016645.db2.gz VAXSYZZMXJHAKA-SFTDATJTSA-N 0 3 419.566 2.503 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cn1 ZINC000790424180 1078022853 /nfs/dbraw/zinc/02/28/53/1078022853.db2.gz KJHAWWPAXSLOKO-ZPMCFJSWSA-N 0 3 411.550 2.631 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000792947753 1078032301 /nfs/dbraw/zinc/03/23/01/1078032301.db2.gz OJWXANKSFLFXLJ-HNNXBMFYSA-N 0 3 419.323 2.982 20 0 HFADHN COC(=O)Nc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000747094681 1078035689 /nfs/dbraw/zinc/03/56/89/1078035689.db2.gz FCSBVPDTBVZQQO-YLJYHZDGSA-N 0 3 412.490 2.869 20 0 HFADHN O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000747094547 1078036298 /nfs/dbraw/zinc/03/62/98/1078036298.db2.gz DCPJXADYMWSTAB-RXVVDRJESA-N 0 3 424.501 2.648 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000806254221 1079521944 /nfs/dbraw/zinc/52/19/44/1079521944.db2.gz QYRUCZSTROFSBX-SQNIBIBYSA-N 0 3 407.580 2.543 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000806254051 1079522033 /nfs/dbraw/zinc/52/20/33/1079522033.db2.gz YLSTUEXFDXOKIQ-RTWAWAEBSA-N 0 3 401.551 2.651 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000806254064 1079522075 /nfs/dbraw/zinc/52/20/75/1079522075.db2.gz QKBQOKIKVURGES-OAQYLSRUSA-N 0 3 414.594 2.839 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000806254935 1079523369 /nfs/dbraw/zinc/52/33/69/1079523369.db2.gz XLMRPRIHAZBRGW-NJDAHSKKSA-N 0 3 419.541 2.621 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000806270963 1079532983 /nfs/dbraw/zinc/53/29/83/1079532983.db2.gz KGYAWMFFFKPGKY-QFBILLFUSA-N 0 3 413.440 2.961 20 0 HFADHN CCc1ccc([C@@H](CNC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)N(C)C)cc1 ZINC000806308576 1079562555 /nfs/dbraw/zinc/56/25/55/1079562555.db2.gz VVXQRUAFQROBRA-VQIMIIECSA-N 0 3 415.456 2.989 20 0 HFADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)no1 ZINC001130610895 1079630544 /nfs/dbraw/zinc/63/05/44/1079630544.db2.gz WSUCSERJOFBDLF-IIBYNOLFSA-N 0 3 416.547 2.824 20 0 HFADHN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747326491 1079645049 /nfs/dbraw/zinc/64/50/49/1079645049.db2.gz SDXCCDKAFOYSEN-IAGOWNOFSA-N 0 3 410.449 2.930 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)c2)CC1 ZINC000806431142 1079676653 /nfs/dbraw/zinc/67/66/53/1079676653.db2.gz MXWVUFIZZMOVMW-HXUWFJFHSA-N 0 3 417.554 2.913 20 0 HFADHN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000806401105 1079688672 /nfs/dbraw/zinc/68/86/72/1079688672.db2.gz QROSBHORIGHJMV-HXUWFJFHSA-N 0 3 402.539 2.697 20 0 HFADHN CN(C)C[C@H](NC(=O)NCc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1 ZINC000806505816 1079756962 /nfs/dbraw/zinc/75/69/62/1079756962.db2.gz ZBBAXXZATWKBHD-IBGZPJMESA-N 0 3 400.454 2.884 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000806540644 1079779067 /nfs/dbraw/zinc/77/90/67/1079779067.db2.gz FPWRNRULOPRVSD-QUCCMNQESA-N 0 3 424.586 2.530 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1=O ZINC001130707584 1079927652 /nfs/dbraw/zinc/92/76/52/1079927652.db2.gz ZPFBJXBGKPHSFE-UHFFFAOYSA-N 0 3 410.337 2.510 20 0 HFADHN COc1cccc(OCCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001130732708 1079970219 /nfs/dbraw/zinc/97/02/19/1079970219.db2.gz BBLPISLTHZSYNQ-PKTZIBPZSA-N 0 3 410.514 2.966 20 0 HFADHN CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000806796321 1080015630 /nfs/dbraw/zinc/01/56/30/1080015630.db2.gz ZCILDDYLXSCWPQ-YLJYHZDGSA-N 0 3 402.539 2.958 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077282 1080258668 /nfs/dbraw/zinc/25/86/68/1080258668.db2.gz FPMLDSGBYZUDQL-ARRNDQADSA-N 0 3 405.539 2.919 20 0 HFADHN CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2COC3(CCOCC3)O2)N(C)C)cc1 ZINC000807077491 1080258818 /nfs/dbraw/zinc/25/88/18/1080258818.db2.gz HVHSMLGLSGNEEK-LEWJYISDSA-N 0 3 419.566 2.709 20 0 HFADHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2)CC1 ZINC000807181372 1080375788 /nfs/dbraw/zinc/37/57/88/1080375788.db2.gz PLGIZDDJTMVEBI-UHFFFAOYSA-N 0 3 401.898 2.617 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000807261997 1080467532 /nfs/dbraw/zinc/46/75/32/1080467532.db2.gz IXGPPQUAAHGZMQ-UHFFFAOYSA-N 0 3 413.537 2.852 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000747389551 1080475078 /nfs/dbraw/zinc/47/50/78/1080475078.db2.gz JSSCCLHGNUZGBF-QGZVFWFLSA-N 0 3 415.563 2.718 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807334967 1080534793 /nfs/dbraw/zinc/53/47/93/1080534793.db2.gz YNVIGCPRNJQQMS-UHFFFAOYSA-N 0 3 417.735 2.770 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c([C@@H](C)O)c3)cc2)CC1 ZINC000807398313 1080563602 /nfs/dbraw/zinc/56/36/02/1080563602.db2.gz PMDAMFYCVSHAMI-OAHLLOKOSA-N 0 3 414.481 2.598 20 0 HFADHN CCOC(=O)Cc1ncncc1NC1=C(C(=O)OCC)CN(Cc2ccccc2)CC1 ZINC001170522655 1080582223 /nfs/dbraw/zinc/58/22/23/1080582223.db2.gz PDCAGMUDCDESSL-UHFFFAOYSA-N 0 3 424.501 2.717 20 0 HFADHN Cc1cccc(F)c1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000807520630 1080773863 /nfs/dbraw/zinc/77/38/63/1080773863.db2.gz JMMOEFCRSCMDKJ-UHFFFAOYSA-N 0 3 407.436 2.619 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389891 718824568 /nfs/dbraw/zinc/82/45/68/718824568.db2.gz KLDHHYWVXKKRIB-IAGOWNOFSA-N 0 3 413.591 2.733 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389436 718824964 /nfs/dbraw/zinc/82/49/64/718824964.db2.gz IIIBMZNALAPJRX-SJORKVTESA-N 0 3 413.591 2.733 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389432 718825071 /nfs/dbraw/zinc/82/50/71/718825071.db2.gz IIIBMZNALAPJRX-DLBZAZTESA-N 0 3 413.591 2.733 20 0 HFADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164635250 719136717 /nfs/dbraw/zinc/13/67/17/719136717.db2.gz WQKNLWHPCYTVGN-INIZCTEOSA-N 0 3 411.836 2.810 20 0 HFADHN C[C@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)[C@@H](C)CN1C ZINC000508342130 719236241 /nfs/dbraw/zinc/23/62/41/719236241.db2.gz TZOJGURVEMYNPY-HOTGVXAUSA-N 0 3 415.607 2.931 20 0 HFADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc3ncnc(Cl)c3n2)c2c1CCNC2 ZINC001164681256 719630217 /nfs/dbraw/zinc/63/02/17/719630217.db2.gz FLFRGYRQZRYLLE-UHFFFAOYSA-N 0 3 421.883 2.958 20 0 HFADHN CCOC(=O)c1cc2ccccc2nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164686767 719730250 /nfs/dbraw/zinc/73/02/50/719730250.db2.gz RPNMVXZFYQAZID-UHFFFAOYSA-N 0 3 410.518 2.592 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164704292 719885451 /nfs/dbraw/zinc/88/54/51/719885451.db2.gz UZYLFYSMYNMVSX-BMFZPTHFSA-N 0 3 401.898 2.593 20 0 HFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727616 720503067 /nfs/dbraw/zinc/50/30/67/720503067.db2.gz NOYXLQAYKTWENL-REWPJTCUSA-N 0 3 407.518 2.695 20 0 HFADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737173 720727351 /nfs/dbraw/zinc/72/73/51/720727351.db2.gz AJBREFAWMFIZCD-ZWKOTPCHSA-N 0 3 419.485 2.543 20 0 HFADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838095 720738251 /nfs/dbraw/zinc/73/82/51/720738251.db2.gz RNELRAMSRUXSLF-UHFFFAOYSA-N 0 3 424.883 2.628 20 0 HFADHN FC(F)(COc1ccc(Cl)nn1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837409 720739161 /nfs/dbraw/zinc/73/91/61/720739161.db2.gz IYXCUWUTIXHAIL-UHFFFAOYSA-N 0 3 412.872 2.846 20 0 HFADHN c1ccc(COc2cccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164739893 720739892 /nfs/dbraw/zinc/73/98/92/720739892.db2.gz JIZBLHGHFYNIBJ-WOJBJXKFSA-N 0 3 403.486 2.793 20 0 HFADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744919 720746326 /nfs/dbraw/zinc/74/63/26/720746326.db2.gz TUVYUCLMGUXSAD-ZIAGYGMSSA-N 0 3 400.845 2.554 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746973 720751939 /nfs/dbraw/zinc/75/19/39/720751939.db2.gz ZKGSCFLIRWKEEU-SJORKVTESA-N 0 3 412.494 2.561 20 0 HFADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749280 720801638 /nfs/dbraw/zinc/80/16/38/720801638.db2.gz SXTWWNSCOLYWPK-RTBURBONSA-N 0 3 406.465 2.723 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164869070 721052813 /nfs/dbraw/zinc/05/28/13/721052813.db2.gz RHWBJPBBVITXTL-IAGOWNOFSA-N 0 3 416.909 2.786 20 0 HFADHN COc1ccc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762493 721072349 /nfs/dbraw/zinc/07/23/49/721072349.db2.gz FDGWUQQNEMPXKX-HOTGVXAUSA-N 0 3 412.925 2.984 20 0 HFADHN c1ccc(COc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864029 721086425 /nfs/dbraw/zinc/08/64/25/721086425.db2.gz DNPNUIGTRIOHJE-FCHUYYIVSA-N 0 3 417.513 2.930 20 0 HFADHN Fc1ncccc1-c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864375 721116537 /nfs/dbraw/zinc/11/65/37/721116537.db2.gz FPBRMEXUAIUDOF-ZWKOTPCHSA-N 0 3 406.465 2.552 20 0 HFADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164875349 721137126 /nfs/dbraw/zinc/13/71/26/721137126.db2.gz KXVIUAPSMBCDNY-NHCUHLMSSA-N 0 3 402.502 2.722 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164762663 721146533 /nfs/dbraw/zinc/14/65/33/721146533.db2.gz DDXRAIGMXNHKLW-KBPBESRZSA-N 0 3 403.943 2.740 20 0 HFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164875420 721168055 /nfs/dbraw/zinc/16/80/55/721168055.db2.gz LMWKWDNDHGKGAC-SFTDATJTSA-N 0 3 408.550 2.732 20 0 HFADHN CSc1nc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164765018 721170109 /nfs/dbraw/zinc/17/01/09/721170109.db2.gz HLGFGRDFHACLJZ-UONOGXRCSA-N 0 3 401.565 2.500 20 0 HFADHN CC1CCN(C(=O)c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc2)CC1 ZINC001164766992 721196798 /nfs/dbraw/zinc/19/67/98/721196798.db2.gz JVEMCBCTVWTSQQ-FGZHOGPDSA-N 0 3 422.577 2.646 20 0 HFADHN CC1CCN(C(=O)c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2)CC1 ZINC001164766994 721197609 /nfs/dbraw/zinc/19/76/09/721197609.db2.gz JVEMCBCTVWTSQQ-VXKWHMMOSA-N 0 3 422.577 2.646 20 0 HFADHN Cc1nc(-c2ccccn2)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164774452 721222612 /nfs/dbraw/zinc/22/26/12/721222612.db2.gz ZKIOKTLLPMFHAF-WOJBJXKFSA-N 0 3 403.534 2.847 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164766915 721224580 /nfs/dbraw/zinc/22/45/80/721224580.db2.gz JOMPDWPEWUYJMY-WOJBJXKFSA-N 0 3 415.545 2.719 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@@H]3C2)cn1 ZINC001164761513 721245845 /nfs/dbraw/zinc/24/58/45/721245845.db2.gz JHOYFEMBFDCYFP-CVEARBPZSA-N 0 3 405.481 2.942 20 0 HFADHN Cc1nc(COC[C@H]2Cn3nccc3CN(c3cc(CN(C)C)ccn3)C2)cs1 ZINC001164877532 721332534 /nfs/dbraw/zinc/33/25/34/721332534.db2.gz VJLJJWRKVJNVSK-GOSISDBHSA-N 0 3 412.563 2.958 20 0 HFADHN O=C1NCc2c1c(N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)nc(Cl)c2F ZINC001164908115 721538704 /nfs/dbraw/zinc/53/87/04/721538704.db2.gz OSICEIWZUPROKW-TZMCWYRMSA-N 0 3 420.847 2.599 20 0 HFADHN CNC(=O)c1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164903430 721542403 /nfs/dbraw/zinc/54/24/03/721542403.db2.gz CLTCZQUAEIVYRA-ZBFHGGJFSA-N 0 3 404.873 2.576 20 0 HFADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903480 721562442 /nfs/dbraw/zinc/56/24/42/721562442.db2.gz BJKRRHCBEDRTDP-FUHWJXTLSA-N 0 3 414.481 2.697 20 0 HFADHN COC(=O)Cc1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905994 721701456 /nfs/dbraw/zinc/70/14/56/721701456.db2.gz KUQGUUPICAAQLU-OAQYLSRUSA-N 0 3 416.472 2.930 20 0 HFADHN FC1(F)CCN(c2cncc(-n3ccnc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906263 721716178 /nfs/dbraw/zinc/71/61/78/721716178.db2.gz LWTDXGWHHKJRJB-HXUWFJFHSA-N 0 3 411.460 2.795 20 0 HFADHN CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980800 722102268 /nfs/dbraw/zinc/10/22/68/722102268.db2.gz KKUOAIRNOXGEPC-BOECQMNCSA-N 0 3 422.529 2.780 20 0 HFADHN FC(F)(c1cnc(Cl)cn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976328 722102940 /nfs/dbraw/zinc/10/29/40/722102940.db2.gz CPKRZQWLSNUEGJ-JKSUJKDBSA-N 0 3 409.868 2.797 20 0 HFADHN COc1cccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985182 722106291 /nfs/dbraw/zinc/10/62/91/722106291.db2.gz VGQFSGKPAWTERB-NQIIRXRSSA-N 0 3 405.502 2.761 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164971461 722125650 /nfs/dbraw/zinc/12/56/50/722125650.db2.gz COLHISKXBJMJKG-LEWJYISDSA-N 0 3 424.545 2.997 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164980923 722131409 /nfs/dbraw/zinc/13/14/09/722131409.db2.gz NTRHIARKFIAGTM-LEWJYISDSA-N 0 3 408.550 2.589 20 0 HFADHN COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979653 722133835 /nfs/dbraw/zinc/13/38/35/722133835.db2.gz LRGBNHCYEVLNSO-QDWIBDRMSA-N 0 3 422.529 2.699 20 0 HFADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164983352 722138439 /nfs/dbraw/zinc/13/84/39/722138439.db2.gz UOUKDXIJGLQOKM-FGZHOGPDSA-N 0 3 416.529 2.969 20 0 HFADHN C[C@@H]1CCCN(c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)C1 ZINC001164985417 722149473 /nfs/dbraw/zinc/14/94/73/722149473.db2.gz ZJOGRMGSFGLOTA-FCEUIQTBSA-N 0 3 422.577 2.835 20 0 HFADHN c1cc2c(nc(C3CC3)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164973059 722153738 /nfs/dbraw/zinc/15/37/38/722153738.db2.gz KNYRYKHKZFGPDU-UYAOXDASSA-N 0 3 404.518 2.958 20 0 HFADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)o1 ZINC000793042696 1078054395 /nfs/dbraw/zinc/05/43/95/1078054395.db2.gz RCMAADYVYPFSBM-UHFFFAOYSA-N 0 3 423.311 2.583 20 0 HFADHN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc(-n4cncn4)cc3)cc2)C1=O ZINC000790607728 1078074048 /nfs/dbraw/zinc/07/40/48/1078074048.db2.gz JVAZIYUNGJGAHO-QHCPKHFHSA-N 0 3 416.485 2.782 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768558 1078114368 /nfs/dbraw/zinc/11/43/68/1078114368.db2.gz VJVQFLURCSUTEN-KCJUWKMLSA-N 0 3 403.118 2.819 20 0 HFADHN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)CN(CC)CC)c1 ZINC000790880833 1078169456 /nfs/dbraw/zinc/16/94/56/1078169456.db2.gz RNONACHQHLJUCK-LBPRGKRZSA-N 0 3 421.357 2.634 20 0 HFADHN CN(C)[C@@H](CNC(=O)CN(C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC001170435479 1078225343 /nfs/dbraw/zinc/22/53/43/1078225343.db2.gz PQQIUBVPFCVOJG-IBGZPJMESA-N 0 3 418.582 2.785 20 0 HFADHN COC(=O)[C@H]1CC(=O)N(CN2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000793726633 1078268156 /nfs/dbraw/zinc/26/81/56/1078268156.db2.gz YFPRVGXKRIKAIW-FCHUYYIVSA-N 0 3 415.578 2.631 20 0 HFADHN Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793714591 1078262642 /nfs/dbraw/zinc/26/26/42/1078262642.db2.gz PYKPIKOVZSWEIL-HXUWFJFHSA-N 0 3 408.546 2.909 20 0 HFADHN CCCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000793726461 1078267337 /nfs/dbraw/zinc/26/73/37/1078267337.db2.gz RZNCGPWCUDVVRJ-RTBURBONSA-N 0 3 416.566 2.633 20 0 HFADHN COc1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)c(OC2CCCC2)c1 ZINC000793725933 1078267567 /nfs/dbraw/zinc/26/75/67/1078267567.db2.gz RDCIPBYFLXDBPT-KRWDZBQOSA-N 0 3 417.550 2.623 20 0 HFADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)NCC1CCCCCCC1 ZINC000793754356 1078277873 /nfs/dbraw/zinc/27/78/73/1078277873.db2.gz MCIJVAJPYJNASY-JOCHJYFZSA-N 0 3 415.578 2.870 20 0 HFADHN Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@@H](C)N3CCCCC3)cc2)cs1 ZINC000793695271 1078270889 /nfs/dbraw/zinc/27/08/89/1078270889.db2.gz CBYXRHDHQYLHOO-OAHLLOKOSA-N 0 3 400.548 2.725 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1)N1CCCCC1 ZINC000793697062 1078271829 /nfs/dbraw/zinc/27/18/29/1078271829.db2.gz GLJMMZKJOXMGGC-HZPDHXFCSA-N 0 3 405.514 2.782 20 0 HFADHN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C(=O)NC[C@H](C)N2CCCCC2)n1 ZINC000793698459 1078272091 /nfs/dbraw/zinc/27/20/91/1078272091.db2.gz JPWZJVFRNNMNTJ-FQEVSTJZSA-N 0 3 423.561 2.613 20 0 HFADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000793796099 1078300442 /nfs/dbraw/zinc/30/04/42/1078300442.db2.gz WTAJUGKWBHVSRA-RBUKOAKNSA-N 0 3 424.545 2.615 20 0 HFADHN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000772838704 1078329574 /nfs/dbraw/zinc/32/95/74/1078329574.db2.gz UVSOYYICQDQJAX-NRSPTQNISA-N 0 3 402.922 2.763 20 0 HFADHN CN(CCN1CCCC1)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877499 1078332474 /nfs/dbraw/zinc/33/24/74/1078332474.db2.gz WMTWFSSFDDUQIF-UHFFFAOYSA-N 0 3 414.594 2.623 20 0 HFADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 ZINC001129814014 1078511881 /nfs/dbraw/zinc/51/18/81/1078511881.db2.gz XICPEQWLMAPCEQ-FYYLOGMGSA-N 0 3 419.529 2.593 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455340 1078556914 /nfs/dbraw/zinc/55/69/14/1078556914.db2.gz HXSXEIMAFYULLI-ZHRRBRCNSA-N 0 3 420.506 2.879 20 0 HFADHN COCCCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 ZINC001129600359 1078574290 /nfs/dbraw/zinc/57/42/90/1078574290.db2.gz LWMPCEOFJMOHRC-FUHWJXTLSA-N 0 3 415.550 2.541 20 0 HFADHN COCCCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 ZINC001129600361 1078574305 /nfs/dbraw/zinc/57/43/05/1078574305.db2.gz LWMPCEOFJMOHRC-SJLPKXTDSA-N 0 3 415.550 2.541 20 0 HFADHN COc1ccc([C@H](CC(=O)N(CCN(C)C)Cc2ccsc2)NC(C)=O)cc1 ZINC001129585011 1078583740 /nfs/dbraw/zinc/58/37/40/1078583740.db2.gz MSENCBRGVJTEJH-FQEVSTJZSA-N 0 3 403.548 2.914 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000804566425 1078600408 /nfs/dbraw/zinc/60/04/08/1078600408.db2.gz QKOFSDPWKOYUBS-UHFFFAOYSA-N 0 3 421.343 2.763 20 0 HFADHN CC1=C(C(=O)NCCN(CCN2CCCCC2)C(=O)C2=C(C)OCCC2)CCCO1 ZINC000804590934 1078625885 /nfs/dbraw/zinc/62/58/85/1078625885.db2.gz RXIGXTDCMDZWCB-UHFFFAOYSA-N 0 3 419.566 2.586 20 0 HFADHN Cc1c(Cl)c(C(=O)N(C)CCCN(C)Cc2ccco2)sc1S(N)(=O)=O ZINC000804867859 1078691738 /nfs/dbraw/zinc/69/17/38/1078691738.db2.gz MWSWENVKFXYRPA-UHFFFAOYSA-N 0 3 419.956 2.544 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000804970714 1078806141 /nfs/dbraw/zinc/80/61/41/1078806141.db2.gz SXNRMOFJQDQJIT-QFBILLFUSA-N 0 3 413.440 2.788 20 0 HFADHN CCCN(C)[C@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(Cl)cc1 ZINC000805019728 1078830434 /nfs/dbraw/zinc/83/04/34/1078830434.db2.gz KCKTYQQBAJVDCZ-OAHLLOKOSA-N 0 3 412.943 2.718 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229006 1078887780 /nfs/dbraw/zinc/88/77/80/1078887780.db2.gz IHDDTOHVGMWPDN-NEPJUHHUSA-N 0 3 420.678 2.538 20 0 HFADHN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000805074727 1078906553 /nfs/dbraw/zinc/90/65/53/1078906553.db2.gz OIEOUVMXCSMGSF-WBVHZDCISA-N 0 3 401.429 2.632 20 0 HFADHN O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747229535 1078938214 /nfs/dbraw/zinc/93/82/14/1078938214.db2.gz KCCMKQCHMGOBDO-KGLIPLIRSA-N 0 3 417.731 2.851 20 0 HFADHN CN1CCC[C@H](NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184231 1078966098 /nfs/dbraw/zinc/96/60/98/1078966098.db2.gz LDPSLZRXUFWETQ-PKOBYXMFSA-N 0 3 402.539 2.914 20 0 HFADHN CCCCCCn1nc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c2ccccc2c1=O ZINC000747236313 1078995267 /nfs/dbraw/zinc/99/52/67/1078995267.db2.gz LIUDQTLXFLOLJS-ZWKOTPCHSA-N 0 3 412.534 2.570 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000805420511 1079054852 /nfs/dbraw/zinc/05/48/52/1079054852.db2.gz HMLADUZGJKAIKE-OAQYLSRUSA-N 0 3 416.566 2.716 20 0 HFADHN CCOC(=O)C(C)(C)CC(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000805660119 1079207553 /nfs/dbraw/zinc/20/75/53/1079207553.db2.gz GZZOSCSUWQJQGO-UHFFFAOYSA-N 0 3 418.534 2.552 20 0 HFADHN CCOC(=O)Nc1ccc2c(CN3CC[C@H](C(=O)N4CCCC4)C3)cc(=O)oc2c1 ZINC000805811192 1079286094 /nfs/dbraw/zinc/28/60/94/1079286094.db2.gz MMEDSJFQSWEDPB-HNNXBMFYSA-N 0 3 413.474 2.806 20 0 HFADHN CC1(C(=O)OCCN2C(=O)c3ccncc3C2=O)CCN(Cc2ccccc2)CC1 ZINC000805888687 1079339741 /nfs/dbraw/zinc/33/97/41/1079339741.db2.gz UGRVVSBYUNKVIX-UHFFFAOYSA-N 0 3 407.470 2.523 20 0 HFADHN Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1)CCC2 ZINC000805942334 1079345183 /nfs/dbraw/zinc/34/51/83/1079345183.db2.gz IWAKHSYBJCGOCA-RDTXWAMCSA-N 0 3 400.548 2.582 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000806154227 1079470562 /nfs/dbraw/zinc/47/05/62/1079470562.db2.gz BZVWABFNANOXAX-FQEVSTJZSA-N 0 3 417.554 2.961 20 0 HFADHN C[C@@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000806182849 1079477232 /nfs/dbraw/zinc/47/72/32/1079477232.db2.gz FCNPVGJSYUTOCG-MJGOQNOKSA-N 0 3 413.543 2.927 20 0 HFADHN CCc1ccc(CN(C)C(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000746675000 1076748695 /nfs/dbraw/zinc/74/86/95/1076748695.db2.gz ZCAWTPHCQGZYLW-RUZDIDTESA-N 0 3 409.574 2.824 20 0 HFADHN CCN1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347022 1076788288 /nfs/dbraw/zinc/78/82/88/1076788288.db2.gz RYPRBDSIJFBROL-CVEARBPZSA-N 0 3 405.543 2.738 20 0 HFADHN O=C(/C(=C/c1cccs1)n1nnnc1-c1ccccc1)N1CCN2CCC1CC2 ZINC000787523348 1076846800 /nfs/dbraw/zinc/84/68/00/1076846800.db2.gz MRKNOTLRISASIJ-CYVLTUHYSA-N 0 3 406.515 2.706 20 0 HFADHN O=C([C@H]1CN2CCN1CCC2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787664389 1076903514 /nfs/dbraw/zinc/90/35/14/1076903514.db2.gz HTYHAEASZPCLBZ-HSZRJFAPSA-N 0 3 405.542 2.554 20 0 HFADHN CC(C)[C@@H](CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)N1CCC(C)CC1 ZINC000746702019 1076906122 /nfs/dbraw/zinc/90/61/22/1076906122.db2.gz JDTUCINIQKOEKG-OAQYLSRUSA-N 0 3 404.580 2.966 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000787671575 1076906629 /nfs/dbraw/zinc/90/66/29/1076906629.db2.gz LYRWWMHIINYPQF-ZWKOTPCHSA-N 0 3 409.571 2.735 20 0 HFADHN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCN(C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787679419 1076908412 /nfs/dbraw/zinc/90/84/12/1076908412.db2.gz QLBAUVDYJNNPLY-GCJKJVERSA-N 0 3 413.562 2.875 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000787680040 1076908981 /nfs/dbraw/zinc/90/89/81/1076908981.db2.gz ZZQXBWLAUVFXKA-YQVWRLOYSA-N 0 3 409.571 2.734 20 0 HFADHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689655 1076913405 /nfs/dbraw/zinc/91/34/05/1076913405.db2.gz MHZVNPJJWQLVOZ-OFAXGOBFSA-N 0 3 408.546 2.885 20 0 HFADHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000787705946 1076919520 /nfs/dbraw/zinc/91/95/20/1076919520.db2.gz MHMQWAVAIMHBNJ-QGZVFWFLSA-N 0 3 407.559 2.725 20 0 HFADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000787707347 1076919819 /nfs/dbraw/zinc/91/98/19/1076919819.db2.gz DFUDTFBEPVVDME-UHFFFAOYSA-N 0 3 405.542 2.957 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718714 1076925156 /nfs/dbraw/zinc/92/51/56/1076925156.db2.gz SYSTZIMBFOVXSN-HTAPYJJXSA-N 0 3 415.538 2.669 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718720 1076925229 /nfs/dbraw/zinc/92/52/29/1076925229.db2.gz SYSTZIMBFOVXSN-VGSWGCGISA-N 0 3 415.538 2.669 20 0 HFADHN Cn1cc(CN[C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761331 1076929920 /nfs/dbraw/zinc/92/99/20/1076929920.db2.gz JQYQLWZLKKOBKS-CABCVRRESA-N 0 3 418.460 2.943 20 0 HFADHN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000787880373 1076974387 /nfs/dbraw/zinc/97/43/87/1076974387.db2.gz RYAYAZSSWLPETM-GJZGRUSLSA-N 0 3 411.930 2.683 20 0 HFADHN Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000787925660 1076999021 /nfs/dbraw/zinc/99/90/21/1076999021.db2.gz KVHPNHRSSWYZMT-QFIPXVFZSA-N 0 3 417.513 2.552 20 0 HFADHN CC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000751116007 1077021694 /nfs/dbraw/zinc/02/16/94/1077021694.db2.gz ARSXHDVMUCBGKB-UHFFFAOYSA-N 0 3 409.335 2.790 20 0 HFADHN NC(=O)c1c(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995921 1077022865 /nfs/dbraw/zinc/02/28/65/1077022865.db2.gz OBWONSKKUHAKFK-MORSLUCNSA-N 0 3 403.548 2.602 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)O[C@H]3CCCN(Cc4ncccn4)C3)cc2)CC1 ZINC000788064480 1077047711 /nfs/dbraw/zinc/04/77/11/1077047711.db2.gz FTXGURDSJGGWHV-QFIPXVFZSA-N 0 3 423.561 2.828 20 0 HFADHN CN(CCN1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1)Cc1ccccc1 ZINC000788090629 1077055753 /nfs/dbraw/zinc/05/57/53/1077055753.db2.gz MBNBIRIYUHUTKJ-UHFFFAOYSA-N 0 3 415.578 2.586 20 0 HFADHN CN1CCC(NC(=S)N2CCN(C(=O)c3cc4ccccc4s3)CC2)CC1 ZINC000788341307 1077111087 /nfs/dbraw/zinc/11/10/87/1077111087.db2.gz QECMKBKWOFGYBI-UHFFFAOYSA-N 0 3 402.589 2.628 20 0 HFADHN CC(=O)N1CC(C(=O)OC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000788370107 1077130104 /nfs/dbraw/zinc/13/01/04/1077130104.db2.gz QRJMAYFJMSCENI-UHFFFAOYSA-N 0 3 400.397 2.571 20 0 HFADHN CC(C)(C)SCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000788369994 1077130149 /nfs/dbraw/zinc/13/01/49/1077130149.db2.gz DDHJRIVIFGRBJZ-UHFFFAOYSA-N 0 3 401.642 2.502 20 0 HFADHN COc1cccc([C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)c2nccn2C)c1 ZINC000788593264 1077215804 /nfs/dbraw/zinc/21/58/04/1077215804.db2.gz WHLZXURKDWSLPI-HXUWFJFHSA-N 0 3 414.531 2.558 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000788607459 1077222492 /nfs/dbraw/zinc/22/24/92/1077222492.db2.gz FPUNDFSLKJIZOV-UHFFFAOYSA-N 0 3 417.531 2.644 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)c1Cl ZINC000788653179 1077226714 /nfs/dbraw/zinc/22/67/14/1077226714.db2.gz QHEGBIXOPHOVIF-NWDGAFQWSA-N 0 3 406.957 2.601 20 0 HFADHN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1cccc(Cl)c1 ZINC000788638374 1077241880 /nfs/dbraw/zinc/24/18/80/1077241880.db2.gz KQWAWIPOLPORNH-GOSISDBHSA-N 0 3 410.923 2.984 20 0 HFADHN CCOC(=O)[C@H]1[C@H](NCCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641017 1077243853 /nfs/dbraw/zinc/24/38/53/1077243853.db2.gz VBQLFMNZMFLNDS-IAGOWNOFSA-N 0 3 414.449 2.874 20 0 HFADHN CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)Cc1ccccc1 ZINC000788688847 1077251905 /nfs/dbraw/zinc/25/19/05/1077251905.db2.gz MHINKQIKHFZMRM-FCHUYYIVSA-N 0 3 408.546 2.602 20 0 HFADHN CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788820387 1077308234 /nfs/dbraw/zinc/30/82/34/1077308234.db2.gz OAHVDYSOJHNKKP-BDTNDASRSA-N 0 3 406.530 2.874 20 0 HFADHN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)N1CCCCCC1 ZINC000791309618 1077381858 /nfs/dbraw/zinc/38/18/58/1077381858.db2.gz VLOUCTJPELDEOV-ZWKOTPCHSA-N 0 3 419.570 2.805 20 0 HFADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746796952 1077498388 /nfs/dbraw/zinc/49/83/88/1077498388.db2.gz QDRBOWVOIVBWON-UHFFFAOYSA-N 0 3 419.595 2.805 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000789377103 1077545465 /nfs/dbraw/zinc/54/54/65/1077545465.db2.gz GORBKYMILLXJDE-UHFFFAOYSA-N 0 3 414.575 2.983 20 0 HFADHN CCOC(=O)C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000791834066 1077578343 /nfs/dbraw/zinc/57/83/43/1077578343.db2.gz ZSDQEVOYTOBCJM-UHFFFAOYSA-N 0 3 401.551 2.829 20 0 HFADHN C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922703 1077612481 /nfs/dbraw/zinc/61/24/81/1077612481.db2.gz USMUKQFXFQWBCG-UGSOOPFHSA-N 0 3 408.428 2.640 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCn1c2ccccc2n(C)c1=O ZINC000791975178 1077617271 /nfs/dbraw/zinc/61/72/71/1077617271.db2.gz ONXJSWKILXZQPA-ICSRJNTNSA-N 0 3 404.514 2.873 20 0 HFADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000746830273 1077673950 /nfs/dbraw/zinc/67/39/50/1077673950.db2.gz ZEATXAZMKVGZFF-SFHVURJKSA-N 0 3 418.582 2.553 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074548 1077681498 /nfs/dbraw/zinc/68/14/98/1077681498.db2.gz JDDTZNWXFLLLKV-XJIUQZFPSA-N 0 3 412.303 2.607 20 0 HFADHN C[C@@H](NC1CCN(CCN2CCOCC2)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792182889 1077737243 /nfs/dbraw/zinc/73/72/43/1077737243.db2.gz ZOHUYTYRZHAAMN-MRXNPFEDSA-N 0 3 419.957 2.837 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000789679049 1077738860 /nfs/dbraw/zinc/73/88/60/1077738860.db2.gz XLPQCISCQIVMLJ-CQSZACIVSA-N 0 3 401.898 2.719 20 0 HFADHN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1C ZINC000792234926 1077756802 /nfs/dbraw/zinc/75/68/02/1077756802.db2.gz HSTWJANLCUJEJH-CYBMUJFWSA-N 0 3 403.914 2.682 20 0 HFADHN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000792235516 1077757512 /nfs/dbraw/zinc/75/75/12/1077757512.db2.gz BQCATPXZOJHKRT-UHFFFAOYSA-N 0 3 420.517 2.661 20 0 HFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nc(Br)ccc1F ZINC000792285682 1077775624 /nfs/dbraw/zinc/77/56/24/1077775624.db2.gz OECXVFGNIROMHK-HOCLYGCPSA-N 0 3 422.298 2.596 20 0 HFADHN Cn1ccc(CC(=O)OC2CCN(CCOc3cccc(Br)c3)CC2)n1 ZINC000789793127 1077799788 /nfs/dbraw/zinc/79/97/88/1077799788.db2.gz DTDQUALMGSXZSU-UHFFFAOYSA-N 0 3 422.323 2.812 20 0 HFADHN C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000792336971 1077824777 /nfs/dbraw/zinc/82/47/77/1077824777.db2.gz YKZPKDIYRVLMSK-WIYYLYMNSA-N 0 3 418.582 2.737 20 0 HFADHN Cc1cc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cnc1Cl ZINC000792401636 1077836107 /nfs/dbraw/zinc/83/61/07/1077836107.db2.gz ZTSBQYJYEUBMHV-UHFFFAOYSA-N 0 3 418.847 2.903 20 0 HFADHN COCCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CC[C@@H](C)C1 ZINC000792461987 1077858595 /nfs/dbraw/zinc/85/85/95/1077858595.db2.gz BKSOSQRPAODVCJ-XLIONFOSSA-N 0 3 419.541 2.814 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)N1CCC[C@H](C)C1 ZINC000790031158 1077903629 /nfs/dbraw/zinc/90/36/29/1077903629.db2.gz FHYUWJQBHBMCJT-VQTJNVASSA-N 0 3 414.594 2.572 20 0 HFADHN CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218798 1077909959 /nfs/dbraw/zinc/90/99/59/1077909959.db2.gz VKLLCOSDTGJXME-CTNGQTDRSA-N 0 3 403.567 2.839 20 0 HFADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049429 1077929619 /nfs/dbraw/zinc/92/96/19/1077929619.db2.gz GIGXZOJELFBBQI-VQTJNVASSA-N 0 3 414.594 2.572 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051405 1077931564 /nfs/dbraw/zinc/93/15/64/1077931564.db2.gz PCQLMJLPQVFIBM-IAGOWNOFSA-N 0 3 411.568 2.862 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)N1CCC(C)CC1 ZINC000790053297 1077932872 /nfs/dbraw/zinc/93/28/72/1077932872.db2.gz MRADXIBOVBNEMO-FQEVSTJZSA-N 0 3 414.594 2.572 20 0 HFADHN C[C@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N1CCc2ccccc21 ZINC000746875251 1077933526 /nfs/dbraw/zinc/93/35/26/1077933526.db2.gz DJJGEYUONFEOLZ-QGZVFWFLSA-N 0 3 406.530 2.774 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000790133551 1077952945 /nfs/dbraw/zinc/95/29/45/1077952945.db2.gz CMQNEJZDPFZYJG-UHFFFAOYSA-N 0 3 408.506 2.549 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1)N1CCCCC1 ZINC000790141024 1077955341 /nfs/dbraw/zinc/95/53/41/1077955341.db2.gz ZOFYUYDCRFLTJT-OAHLLOKOSA-N 0 3 424.383 2.834 20 0 HFADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170384955 1077956773 /nfs/dbraw/zinc/95/67/73/1077956773.db2.gz DWFONVOMGISBAI-ROUUACIJSA-N 0 3 414.506 2.509 20 0 HFADHN CN(CN1C[C@]2(CN3CCC2CC3)OC1=O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000790382172 1078009407 /nfs/dbraw/zinc/00/94/07/1078009407.db2.gz FBEADMPVTAXYKX-URVUXULASA-N 0 3 403.498 2.852 20 0 HFADHN COc1cnccc1N1CCN(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000792853212 1078015039 /nfs/dbraw/zinc/01/50/39/1078015039.db2.gz FBPZUFSDILCSTI-QGZVFWFLSA-N 0 3 423.517 2.810 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(C[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000792879999 1078016214 /nfs/dbraw/zinc/01/62/14/1078016214.db2.gz NKXYEJYEYXKFEE-QGZVFWFLSA-N 0 3 400.585 2.924 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(C[C@@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000792879998 1078016308 /nfs/dbraw/zinc/01/63/08/1078016308.db2.gz NKXYEJYEYXKFEE-KRWDZBQOSA-N 0 3 400.585 2.924 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cn1 ZINC000790424178 1078022897 /nfs/dbraw/zinc/02/28/97/1078022897.db2.gz KJHAWWPAXSLOKO-MTNREXPMSA-N 0 3 411.550 2.631 20 0 HFADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792971044 1078029617 /nfs/dbraw/zinc/02/96/17/1078029617.db2.gz YYNFCBHDCRKGFF-UHFFFAOYSA-N 0 3 412.387 2.768 20 0 HFADHN COC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000747093852 1078033071 /nfs/dbraw/zinc/03/30/71/1078033071.db2.gz BFOPAHPARJZINV-XLIONFOSSA-N 0 3 412.490 2.869 20 0 HFADHN COC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000747093851 1078033121 /nfs/dbraw/zinc/03/31/21/1078033121.db2.gz BFOPAHPARJZINV-PXNSSMCTSA-N 0 3 412.490 2.869 20 0 HFADHN COC(=O)Nc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000747094675 1078035667 /nfs/dbraw/zinc/03/56/67/1078035667.db2.gz FCSBVPDTBVZQQO-PXNSSMCTSA-N 0 3 412.490 2.869 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000806254229 1079522280 /nfs/dbraw/zinc/52/22/80/1079522280.db2.gz RENBSQAUMFBGRT-SFTDATJTSA-N 0 3 421.557 2.724 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000806307323 1079560303 /nfs/dbraw/zinc/56/03/03/1079560303.db2.gz BUEZZCWJIRERSC-UXHICEINSA-N 0 3 404.555 2.860 20 0 HFADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747324656 1079592404 /nfs/dbraw/zinc/59/24/04/1079592404.db2.gz CTNUNOQEFICEAY-MOPGFXCFSA-N 0 3 402.926 2.664 20 0 HFADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327741 1079600032 /nfs/dbraw/zinc/60/00/32/1079600032.db2.gz GHVUVEPWOPXJJH-DZGCQCFKSA-N 0 3 401.429 2.753 20 0 HFADHN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747326495 1079645078 /nfs/dbraw/zinc/64/50/78/1079645078.db2.gz SDXCCDKAFOYSEN-SJORKVTESA-N 0 3 410.449 2.930 20 0 HFADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC000806527447 1079801505 /nfs/dbraw/zinc/80/15/05/1079801505.db2.gz YSHOEXZSWOUVPR-CQSZACIVSA-N 0 3 410.440 2.801 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2cccc(F)c2Sc2ccccc2)CC1=O ZINC001130707295 1079877843 /nfs/dbraw/zinc/87/78/43/1079877843.db2.gz QJOYEVRQVFLAQI-UHFFFAOYSA-N 0 3 401.507 2.823 20 0 HFADHN CC(C)[C@H](NCCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000806625614 1079882540 /nfs/dbraw/zinc/88/25/40/1079882540.db2.gz IHUDCUUOVVDEJG-IBGZPJMESA-N 0 3 413.536 2.501 20 0 HFADHN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747343734 1079909380 /nfs/dbraw/zinc/90/93/80/1079909380.db2.gz RVWIVOJZTNNQSW-IAGOWNOFSA-N 0 3 404.898 2.692 20 0 HFADHN CC(C)(O)c1ccc(CNC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000806730525 1079955151 /nfs/dbraw/zinc/95/51/51/1079955151.db2.gz UCQXUMCSONHIQB-UHFFFAOYSA-N 0 3 415.578 2.693 20 0 HFADHN CCOC1CC2(C[C@H]2C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1 ZINC001130742496 1080006618 /nfs/dbraw/zinc/00/66/18/1080006618.db2.gz ZZCQGRYXEGFGOA-QKDPSFTKSA-N 0 3 401.551 2.847 20 0 HFADHN CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000806796320 1080015458 /nfs/dbraw/zinc/01/54/58/1080015458.db2.gz ZCILDDYLXSCWPQ-XLIONFOSSA-N 0 3 402.539 2.958 20 0 HFADHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)ncc1Cl ZINC000806861417 1080063822 /nfs/dbraw/zinc/06/38/22/1080063822.db2.gz MYQNRGOJNCDKIR-LBPRGKRZSA-N 0 3 402.720 2.871 20 0 HFADHN CN(C)C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037859 1080227461 /nfs/dbraw/zinc/22/74/61/1080227461.db2.gz DRXKIDGLTZRYGZ-RTWAWAEBSA-N 0 3 412.509 2.919 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](C)C1 ZINC000807088377 1080267315 /nfs/dbraw/zinc/26/73/15/1080267315.db2.gz AFTGEOKISSSQRK-OPYAIIAOSA-N 0 3 401.551 2.507 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000807096349 1080275221 /nfs/dbraw/zinc/27/52/21/1080275221.db2.gz IAAQYUQBGOQDJT-HXUWFJFHSA-N 0 3 412.490 2.754 20 0 HFADHN CN(C)CCn1cc(NC(=O)c2nc(Br)sc2C2CC2)ccc1=O ZINC000807156666 1080314308 /nfs/dbraw/zinc/31/43/08/1080314308.db2.gz JDTHYSMCQWIWLH-UHFFFAOYSA-N 0 3 411.325 2.759 20 0 HFADHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895651 1080432414 /nfs/dbraw/zinc/43/24/14/1080432414.db2.gz UADJQUNRIVEBRJ-OLZOCXBDSA-N 0 3 420.000 2.544 20 0 HFADHN COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C[C@H]2O ZINC000807402676 1080598296 /nfs/dbraw/zinc/59/82/96/1080598296.db2.gz KQUCMRSTCCSFNA-YBOAYWMSSA-N 0 3 413.518 2.954 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442374 1080662439 /nfs/dbraw/zinc/66/24/39/1080662439.db2.gz ZDBSNUWJEOGNHU-GDAAHCPNSA-N 0 3 403.527 2.740 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443534 1080664740 /nfs/dbraw/zinc/66/47/40/1080664740.db2.gz NIVOOHLCDDADPU-IEZWGBDMSA-N 0 3 403.527 2.598 20 0 HFADHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1OC ZINC001560184283 1126209766 /nfs/dbraw/zinc/20/97/66/1126209766.db2.gz JMWNJVKQSNANLP-QHCPKHFHSA-N 0 3 413.470 2.908 20 0 HFADHN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164392237 718826062 /nfs/dbraw/zinc/82/60/62/718826062.db2.gz ZNDXVEUBIQTPIO-WBVHZDCISA-N 0 3 410.852 2.918 20 0 HFADHN COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@@H]3C2)c(Cl)nn1 ZINC001164391862 718826083 /nfs/dbraw/zinc/82/60/83/718826083.db2.gz XRPBZEZDPRCGKR-RHSMWYFYSA-N 0 3 410.852 2.918 20 0 HFADHN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390079 718826275 /nfs/dbraw/zinc/82/62/75/718826275.db2.gz LUBSQZKJQFKPPG-RDJZCZTQSA-N 0 3 410.852 2.918 20 0 HFADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164634291 719138493 /nfs/dbraw/zinc/13/84/93/719138493.db2.gz UKVDHNMXDGKFGO-MRXNPFEDSA-N 0 3 411.836 2.907 20 0 HFADHN C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)[C@@H](C)CN1C ZINC000508342128 719236796 /nfs/dbraw/zinc/23/67/96/719236796.db2.gz TZOJGURVEMYNPY-CVEARBPZSA-N 0 3 415.607 2.931 20 0 HFADHN CN(Cc1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1)C1CC1 ZINC001164654759 719328183 /nfs/dbraw/zinc/32/81/83/719328183.db2.gz MUENMANOAHENFW-UHFFFAOYSA-N 0 3 405.506 2.652 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)CC2 ZINC001164689846 719751030 /nfs/dbraw/zinc/75/10/30/719751030.db2.gz LSOGXLQVXCPJGR-UHFFFAOYSA-N 0 3 414.941 2.681 20 0 HFADHN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164696325 719835777 /nfs/dbraw/zinc/83/57/77/719835777.db2.gz SOIVLNHPZNPXMK-HXUWFJFHSA-N 0 3 419.533 2.522 20 0 HFADHN COC(=O)c1ccc2ccnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1 ZINC001164729590 720561344 /nfs/dbraw/zinc/56/13/44/720561344.db2.gz RJRXHWGZQFRLGS-UHFFFAOYSA-N 0 3 405.502 2.876 20 0 HFADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736787 720682518 /nfs/dbraw/zinc/68/25/18/720682518.db2.gz BGFATUYBOORDRX-QWHCGFSZSA-N 0 3 400.845 2.554 20 0 HFADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745845 720772229 /nfs/dbraw/zinc/77/22/29/720772229.db2.gz WAQXGFHHKUTZCT-UXHICEINSA-N 0 3 416.529 2.967 20 0 HFADHN Clc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC001164738571 720778259 /nfs/dbraw/zinc/77/82/59/720778259.db2.gz GBJOXYHMUSUGKY-DLBZAZTESA-N 0 3 408.893 2.929 20 0 HFADHN Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164745513 720802341 /nfs/dbraw/zinc/80/23/41/720802341.db2.gz KQUUANLJUXOCEE-IRXDYDNUSA-N 0 3 406.465 2.723 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867687 721057190 /nfs/dbraw/zinc/05/71/90/721057190.db2.gz JRMWYWQPXGLQJV-PMACEKPBSA-N 0 3 410.518 2.912 20 0 HFADHN COCc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766582 721081224 /nfs/dbraw/zinc/08/12/24/721081224.db2.gz KWQUWFHSYIQQHF-LEWJYISDSA-N 0 3 418.545 2.982 20 0 HFADHN Clc1nc2ncsc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164863316 721092017 /nfs/dbraw/zinc/09/20/17/721092017.db2.gz BSJSVANCWANCPH-KGLIPLIRSA-N 0 3 402.911 2.614 20 0 HFADHN c1ccc(COc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cn2)cc1 ZINC001164863737 721121331 /nfs/dbraw/zinc/12/13/31/721121331.db2.gz DALKTZPPZICYGZ-VXKWHMMOSA-N 0 3 417.513 2.930 20 0 HFADHN COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762085 721128382 /nfs/dbraw/zinc/12/83/82/721128382.db2.gz BVIQFHWHFLTZHA-JKSUJKDBSA-N 0 3 412.925 2.984 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876521 721160763 /nfs/dbraw/zinc/16/07/63/721160763.db2.gz MZWOOWGUOXZKBK-NHCUHLMSSA-N 0 3 402.502 2.722 20 0 HFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCN3C2)c1 ZINC001164877022 721175550 /nfs/dbraw/zinc/17/55/50/721175550.db2.gz NYRYRBCZNHKSTJ-UXHICEINSA-N 0 3 418.501 2.884 20 0 HFADHN COc1ccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164761999 721194283 /nfs/dbraw/zinc/19/42/83/721194283.db2.gz BQMJJUMUGOMARE-UXHICEINSA-N 0 3 404.518 2.844 20 0 HFADHN COc1ccccc1-c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nn1 ZINC001164770793 721201550 /nfs/dbraw/zinc/20/15/50/721201550.db2.gz OKLJVQWPNYJFEH-RBUKOAKNSA-N 0 3 404.518 2.844 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)c1 ZINC001164874772 721299204 /nfs/dbraw/zinc/29/92/04/721299204.db2.gz CJACKXPJIAGWSO-IEBWSBKVSA-N 0 3 400.548 2.572 20 0 HFADHN CN(Cc1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1)C1CC1 ZINC001164876891 721329954 /nfs/dbraw/zinc/32/99/54/721329954.db2.gz RLKAGPLWTBVOQT-IBGZPJMESA-N 0 3 417.517 2.992 20 0 HFADHN CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164896091 721502206 /nfs/dbraw/zinc/50/22/06/721502206.db2.gz HABSBELLRFDVFD-HXUWFJFHSA-N 0 3 400.567 2.824 20 0 HFADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc2c1 ZINC001164896986 721518329 /nfs/dbraw/zinc/51/83/29/721518329.db2.gz DESMKVDMIRQKIJ-QUCCMNQESA-N 0 3 422.460 2.897 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903420 721540914 /nfs/dbraw/zinc/54/09/14/721540914.db2.gz CLEWJYVAGMOJGQ-SJLPKXTDSA-N 0 3 414.481 2.913 20 0 HFADHN O=C1COc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ccc2N1 ZINC001164907843 721704554 /nfs/dbraw/zinc/70/45/54/721704554.db2.gz UTWNJHYPVKSCDW-FQEVSTJZSA-N 0 3 415.444 2.545 20 0 HFADHN c1cnn(CCCO[C@@H]2CC[C@@H]3[C@H]2OCCN3c2ccc(CN3CCCC3)cn2)c1 ZINC001165015912 721781636 /nfs/dbraw/zinc/78/16/36/721781636.db2.gz BQSSEYLBYCBMLW-MQSCRBSSSA-N 0 3 411.550 2.717 20 0 HFADHN CN(Cc1ccc(N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1)C1CC1 ZINC001164920694 721836838 /nfs/dbraw/zinc/83/68/38/721836838.db2.gz APEFEWFASFTRRY-NFBKMPQASA-N 0 3 408.550 2.730 20 0 HFADHN COC(=O)c1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C ZINC001164964843 722054417 /nfs/dbraw/zinc/05/44/17/722054417.db2.gz YNABAYGTPXFKSJ-UHFFFAOYSA-N 0 3 410.518 2.691 20 0 HFADHN c1cc(CN2CCOCC3(CCN(c4ccnc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164962207 722059408 /nfs/dbraw/zinc/05/94/08/722059408.db2.gz PUQOJIUUAQFJBS-UHFFFAOYSA-N 0 3 422.577 2.981 20 0 HFADHN CS(=O)(=O)N1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2c2ccccc21 ZINC001164972867 722090576 /nfs/dbraw/zinc/09/05/76/722090576.db2.gz ITYBMOWXECFMPX-UYAOXDASSA-N 0 3 412.559 2.677 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3C2)c1 ZINC001164984053 722099722 /nfs/dbraw/zinc/09/97/22/722099722.db2.gz ROUQWTURJZFLBU-LEWJYISDSA-N 0 3 408.550 2.589 20 0 HFADHN FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976324 722103090 /nfs/dbraw/zinc/10/30/90/722103090.db2.gz CPKRZQWLSNUEGJ-CVEARBPZSA-N 0 3 409.868 2.797 20 0 HFADHN FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980083 722105713 /nfs/dbraw/zinc/10/57/13/722105713.db2.gz JFAYCLFYZAIYGA-HZPDHXFCSA-N 0 3 409.868 2.797 20 0 HFADHN CCOc1nc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981882 722109725 /nfs/dbraw/zinc/10/97/25/722109725.db2.gz VJYVAMXMZDSFPJ-IRXDYDNUSA-N 0 3 403.914 2.651 20 0 HFADHN COC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164983139 722115102 /nfs/dbraw/zinc/11/51/02/722115102.db2.gz YJNIHHSTUOJBCB-WMZOPIPTSA-N 0 3 416.909 2.644 20 0 HFADHN COc1ccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164979189 722118909 /nfs/dbraw/zinc/11/89/09/722118909.db2.gz PMPRURBEKZTDTH-AVRDEDQJSA-N 0 3 405.502 2.761 20 0 HFADHN COc1ccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164979194 722119169 /nfs/dbraw/zinc/11/91/69/722119169.db2.gz PMPRURBEKZTDTH-PGRDOPGGSA-N 0 3 405.502 2.761 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3C2)c1 ZINC001164978155 722125945 /nfs/dbraw/zinc/12/59/45/722125945.db2.gz NPNZLRSQECQLDM-SFTDATJTSA-N 0 3 402.502 2.661 20 0 HFADHN COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979655 722134131 /nfs/dbraw/zinc/13/41/31/722134131.db2.gz LRGBNHCYEVLNSO-UQMQSGJDSA-N 0 3 422.529 2.699 20 0 HFADHN COc1nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164985484 722140112 /nfs/dbraw/zinc/14/01/12/722140112.db2.gz ZQCJXSLUOZHTIM-GHTZIAJQSA-N 0 3 405.502 2.761 20 0 HFADHN c1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)nc1 ZINC001164980908 722144473 /nfs/dbraw/zinc/14/44/73/722144473.db2.gz NQCZVJLXBRZLPR-KNQAVFIVSA-N 0 3 402.502 2.661 20 0 HFADHN c1csc(-c2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164972164 722156813 /nfs/dbraw/zinc/15/68/13/722156813.db2.gz GIWOWWJPKHJKLN-MSOLQXFVSA-N 0 3 408.531 2.722 20 0 HFADHN O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ncccc1CN1CCCC1)CCO2 ZINC001164999758 722250134 /nfs/dbraw/zinc/25/01/34/722250134.db2.gz BNQQWJWIKKLYDJ-HSZRJFAPSA-N 0 3 410.518 2.782 20 0 HFADHN C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793045174 1078055097 /nfs/dbraw/zinc/05/50/97/1078055097.db2.gz WPRSHEKTUULJQA-QUCCMNQESA-N 0 3 414.550 2.985 20 0 HFADHN CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)c(F)c1 ZINC000790543427 1078059861 /nfs/dbraw/zinc/05/98/61/1078059861.db2.gz RYNQCCREALLRQV-FQEVSTJZSA-N 0 3 404.530 2.980 20 0 HFADHN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000790584516 1078062071 /nfs/dbraw/zinc/06/20/71/1078062071.db2.gz SLIQIWVRWKTBNA-RBUKOAKNSA-N 0 3 405.539 2.555 20 0 HFADHN CN(C(=O)c1ccc(NC(=O)C(F)(F)C2CCOCC2)cc1)[C@H]1CCCN(C)C1 ZINC000790668223 1078084567 /nfs/dbraw/zinc/08/45/67/1078084567.db2.gz CBQDNIINBUKGNX-SFHVURJKSA-N 0 3 409.477 2.853 20 0 HFADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793418608 1078177682 /nfs/dbraw/zinc/17/76/82/1078177682.db2.gz YUTIOIJCVMRUPQ-IBGZPJMESA-N 0 3 424.586 2.696 20 0 HFADHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793710793 1078260644 /nfs/dbraw/zinc/26/06/44/1078260644.db2.gz UMFZLRUXWIGZEH-PXNSSMCTSA-N 0 3 411.550 2.710 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000793714729 1078262352 /nfs/dbraw/zinc/26/23/52/1078262352.db2.gz SYEVAEDNZKTTTD-AGIUHOORSA-N 0 3 417.394 2.566 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000793714740 1078262690 /nfs/dbraw/zinc/26/26/90/1078262690.db2.gz SYEVAEDNZKTTTD-UPJWGTAASA-N 0 3 417.394 2.566 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000793715505 1078262907 /nfs/dbraw/zinc/26/29/07/1078262907.db2.gz ZIQSQGPCZWJEQO-NVXWUHKLSA-N 0 3 400.548 2.950 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1cccc(COc2ccccc2)c1)N1CCCCC1 ZINC000793714628 1078262983 /nfs/dbraw/zinc/26/29/83/1078262983.db2.gz QNYOTVNZYTUXCZ-LJQANCHMSA-N 0 3 409.530 2.872 20 0 HFADHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793716228 1078263303 /nfs/dbraw/zinc/26/33/03/1078263303.db2.gz ZBGBBUOHZOREOM-ROUUACIJSA-N 0 3 420.985 2.582 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCCCC1 ZINC000793719415 1078264108 /nfs/dbraw/zinc/26/41/08/1078264108.db2.gz DWMYVOKZBKVOBL-OXJNMPFZSA-N 0 3 414.937 2.931 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCCCC1 ZINC000793719417 1078264361 /nfs/dbraw/zinc/26/43/61/1078264361.db2.gz DWMYVOKZBKVOBL-UZLBHIALSA-N 0 3 414.937 2.931 20 0 HFADHN CCCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000793726455 1078267590 /nfs/dbraw/zinc/26/75/90/1078267590.db2.gz RZNCGPWCUDVVRJ-OALUTQOASA-N 0 3 416.566 2.633 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000793693948 1078270415 /nfs/dbraw/zinc/27/04/15/1078270415.db2.gz AAUAVUQUVDLUIK-CQSZACIVSA-N 0 3 401.429 2.534 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)N1CCCCC1 ZINC000793701995 1078274434 /nfs/dbraw/zinc/27/44/34/1078274434.db2.gz RQKBQVVQJNEKMA-LBPRGKRZSA-N 0 3 403.857 2.548 20 0 HFADHN COc1cccc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1OC1CCCC1 ZINC000793703300 1078274947 /nfs/dbraw/zinc/27/49/47/1078274947.db2.gz UBKAEGLPZRNZTJ-QGZVFWFLSA-N 0 3 417.550 2.623 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1ccncc1)N1CCCCC1 ZINC000793705473 1078275575 /nfs/dbraw/zinc/27/55/75/1078275575.db2.gz DJMBAUUIKMZITF-FQEVSTJZSA-N 0 3 408.546 2.644 20 0 HFADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000793796095 1078300513 /nfs/dbraw/zinc/30/05/13/1078300513.db2.gz WRIOLTURTBAPHY-KRWDZBQOSA-N 0 3 403.548 2.530 20 0 HFADHN Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)s1 ZINC000793867706 1078328431 /nfs/dbraw/zinc/32/84/31/1078328431.db2.gz QMVKWTBEEIGGGV-MRXNPFEDSA-N 0 3 415.559 2.507 20 0 HFADHN CCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4COC)cc2)CC1 ZINC000793909346 1078335106 /nfs/dbraw/zinc/33/51/06/1078335106.db2.gz BOYYNRKDOAEZLG-UHFFFAOYSA-N 0 3 422.529 2.964 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793950641 1078344866 /nfs/dbraw/zinc/34/48/66/1078344866.db2.gz OZKFEACYBWWTHJ-HKUYNNGSSA-N 0 3 409.615 2.961 20 0 HFADHN C[C@H]1C[C@@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000793977392 1078350754 /nfs/dbraw/zinc/35/07/54/1078350754.db2.gz XLVWLESEAWJIHC-BZSNNMDCSA-N 0 3 409.571 2.734 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001170441687 1078356350 /nfs/dbraw/zinc/35/63/50/1078356350.db2.gz JMJBBTCUNYWUDO-AUSIDOKSSA-N 0 3 410.518 2.755 20 0 HFADHN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1F ZINC000794207108 1078393334 /nfs/dbraw/zinc/39/33/34/1078393334.db2.gz CSOKHCJAYBJAMS-UHFFFAOYSA-N 0 3 411.543 2.649 20 0 HFADHN CN(C)C[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)c2ccccc2O1 ZINC000772844095 1078394107 /nfs/dbraw/zinc/39/41/07/1078394107.db2.gz JNRWRVVAVNCQHS-KRWDZBQOSA-N 0 3 400.500 2.969 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000794339064 1078419124 /nfs/dbraw/zinc/41/91/24/1078419124.db2.gz LFHXEPBBBCMDIY-IBGZPJMESA-N 0 3 409.408 2.665 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000794340311 1078419746 /nfs/dbraw/zinc/41/97/46/1078419746.db2.gz VFVXGWMLIRQPEB-INIZCTEOSA-N 0 3 406.527 2.678 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000794391952 1078434249 /nfs/dbraw/zinc/43/42/49/1078434249.db2.gz DNXPPULWZONCST-IKGGRYGDSA-N 0 3 413.559 2.736 20 0 HFADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418910 1078468828 /nfs/dbraw/zinc/46/88/28/1078468828.db2.gz ZGTPOBJKUNAYOX-WOJBJXKFSA-N 0 3 421.969 2.603 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000804442093 1078506952 /nfs/dbraw/zinc/50/69/52/1078506952.db2.gz ZZXNYOWYIHUPNQ-UHFFFAOYSA-N 0 3 401.960 2.538 20 0 HFADHN CC(C)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130057685 1078881062 /nfs/dbraw/zinc/88/10/62/1078881062.db2.gz LRJNFOLYYYSVEJ-GGAORHGYSA-N 0 3 420.557 2.942 20 0 HFADHN CC(C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130057620 1078881219 /nfs/dbraw/zinc/88/12/19/1078881219.db2.gz JDOBFPHGNOLHMD-QZTJIDSGSA-N 0 3 411.468 2.909 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1Cl ZINC000805074753 1078906000 /nfs/dbraw/zinc/90/60/00/1078906000.db2.gz ORXHYFIWKMGXOZ-MOPGFXCFSA-N 0 3 406.958 2.597 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1Cl ZINC000805074756 1078906133 /nfs/dbraw/zinc/90/61/33/1078906133.db2.gz ORXHYFIWKMGXOZ-OALUTQOASA-N 0 3 406.958 2.597 20 0 HFADHN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747230361 1078949090 /nfs/dbraw/zinc/94/90/90/1078949090.db2.gz QCAYQHYXOWSQJP-AKFKNWHVSA-N 0 3 423.557 2.503 20 0 HFADHN C[C@]1(CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CCCN1Cc1ccccc1 ZINC000805199378 1078952710 /nfs/dbraw/zinc/95/27/10/1078952710.db2.gz ZAHJVUHNXHPXGT-HYBUGGRVSA-N 0 3 406.530 2.568 20 0 HFADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000805308304 1079031228 /nfs/dbraw/zinc/03/12/28/1079031228.db2.gz CKLZPKDZPDPDBB-IBGZPJMESA-N 0 3 400.523 2.746 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000805359004 1079045521 /nfs/dbraw/zinc/04/55/21/1079045521.db2.gz WDZVHJBRKFGMEK-XZOQPEGZSA-N 0 3 411.546 2.873 20 0 HFADHN CNC(=O)c1cncc(/C=C\C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001130257196 1079146343 /nfs/dbraw/zinc/14/63/43/1079146343.db2.gz MUCAZIMHHFPKIK-DYYZXQNHSA-N 0 3 406.530 2.966 20 0 HFADHN Cc1cccc(C)c1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000805682714 1079217494 /nfs/dbraw/zinc/21/74/94/1079217494.db2.gz WWLXRPSTNNRQAM-UHFFFAOYSA-N 0 3 403.473 2.788 20 0 HFADHN CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(CCOC3CCC3)CC2)C1 ZINC000805756288 1079260817 /nfs/dbraw/zinc/26/08/17/1079260817.db2.gz XMMMVXCWOSHHGJ-UHFFFAOYSA-N 0 3 405.543 2.777 20 0 HFADHN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1)CCC2 ZINC000805940542 1079343747 /nfs/dbraw/zinc/34/37/47/1079343747.db2.gz STGMLMGMVQUMJH-FXAWDEMLSA-N 0 3 411.550 2.594 20 0 HFADHN CC1(C(=O)OC[C@H]2CN(c3ncccn3)CCO2)CCN(Cc2ccccc2)CC1 ZINC000805931124 1079360303 /nfs/dbraw/zinc/36/03/03/1079360303.db2.gz DUYKZJLKMRUONI-HXUWFJFHSA-N 0 3 410.518 2.527 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)NCCc3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000806153046 1079468330 /nfs/dbraw/zinc/46/83/30/1079468330.db2.gz IIMWXKPRRUQSQN-UHFFFAOYSA-N 0 3 419.533 2.978 20 0 HFADHN Cc1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cc1-c1nn[n-]n1 ZINC001170500881 1079486926 /nfs/dbraw/zinc/48/69/26/1079486926.db2.gz SJVHVPOKCCVARD-KLAILNCOSA-N 0 3 405.506 2.547 20 0 HFADHN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC1CCN(Cc3ccco3)CC1)C2=O ZINC000772698694 1076756366 /nfs/dbraw/zinc/75/63/66/1076756366.db2.gz OHTWRQPHFJDFQH-KSFYIVLOSA-N 0 3 417.506 2.536 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322276 1076765751 /nfs/dbraw/zinc/76/57/51/1076765751.db2.gz CZESIGJXWQVRAU-FGTMMUONSA-N 0 3 424.586 2.717 20 0 HFADHN O=C(OCC1CCN(Cc2ccco2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000772699707 1076792137 /nfs/dbraw/zinc/79/21/37/1076792137.db2.gz XBKYEOJELBXKNE-UHFFFAOYSA-N 0 3 418.515 2.789 20 0 HFADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000787508385 1076830307 /nfs/dbraw/zinc/83/03/07/1076830307.db2.gz JVGWCVPUZWTQBH-ZDUSSCGKSA-N 0 3 404.417 2.691 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@@H]3CCCCN3C3CC3)[nH]n2)C1 ZINC000787582076 1076872069 /nfs/dbraw/zinc/87/20/69/1076872069.db2.gz ROEMKBGTMCETRS-RDJZCZTQSA-N 0 3 417.554 2.881 20 0 HFADHN CC(C)(C)OC(=O)Nc1cccc(CN2CCC(n3cnc(C(N)=O)c3N)CC2)c1 ZINC000787677496 1076908368 /nfs/dbraw/zinc/90/83/68/1076908368.db2.gz YTAOLILTPKKDIE-UHFFFAOYSA-N 0 3 414.510 2.748 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000787680044 1076908954 /nfs/dbraw/zinc/90/89/54/1076908954.db2.gz ZZQXBWLAUVFXKA-ZHALLVOQSA-N 0 3 409.571 2.734 20 0 HFADHN CCN1CCN(c2ccc(C(=O)Nc3cc(N4CCNC4=O)ccc3C)cc2)CC1 ZINC000787693379 1076914470 /nfs/dbraw/zinc/91/44/70/1076914470.db2.gz KNNDDBDMNJSMFW-UHFFFAOYSA-N 0 3 407.518 2.919 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787703879 1076919181 /nfs/dbraw/zinc/91/91/81/1076919181.db2.gz DWKVODKOSZDSKF-AUSIDOKSSA-N 0 3 417.550 2.641 20 0 HFADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000787753399 1076927341 /nfs/dbraw/zinc/92/73/41/1076927341.db2.gz YLMPEWKVXXLYJI-ZIAGYGMSSA-N 0 3 401.429 2.753 20 0 HFADHN CC(C)(C)OC(=O)NC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787729508 1076932961 /nfs/dbraw/zinc/93/29/61/1076932961.db2.gz INMOTJJYPWOOLW-HRAATJIYSA-N 0 3 413.559 2.736 20 0 HFADHN Cc1ccc(-n2c(Cl)c(CNC[C@H](C)CN3CCOCC3)nc2N(C)C)cc1 ZINC000787771894 1076942197 /nfs/dbraw/zinc/94/21/97/1076942197.db2.gz GDILPBHCLHHOGY-KRWDZBQOSA-N 0 3 405.974 2.958 20 0 HFADHN O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787833793 1076957540 /nfs/dbraw/zinc/95/75/40/1076957540.db2.gz AGKDDZCONLZNHG-HXUWFJFHSA-N 0 3 405.901 2.841 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)N1CCCCC1 ZINC000787869807 1076967644 /nfs/dbraw/zinc/96/76/44/1076967644.db2.gz DHKAERZRYOAOMY-OALUTQOASA-N 0 3 424.545 2.828 20 0 HFADHN CCOC(=O)c1ncn(C2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1N ZINC000788001083 1077024400 /nfs/dbraw/zinc/02/44/00/1077024400.db2.gz YOZNMSZJDGSYQX-UHFFFAOYSA-N 0 3 410.474 2.894 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000788035417 1077035703 /nfs/dbraw/zinc/03/57/03/1077035703.db2.gz SRGFNDFKPDXOLG-TXKXQZRUSA-N 0 3 402.539 2.887 20 0 HFADHN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772712223 1077050323 /nfs/dbraw/zinc/05/03/23/1077050323.db2.gz WADZSCHGNDFINV-QGZVFWFLSA-N 0 3 403.523 2.702 20 0 HFADHN COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1nccn1C ZINC000788593349 1077215890 /nfs/dbraw/zinc/21/58/90/1077215890.db2.gz XIMQKATYMUJOOO-HXUWFJFHSA-N 0 3 414.531 2.558 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCc2ccc(F)c(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613917 1077228063 /nfs/dbraw/zinc/22/80/63/1077228063.db2.gz YQDIWCJQDWDFJO-MOPGFXCFSA-N 0 3 423.529 2.918 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788658421 1077255098 /nfs/dbraw/zinc/25/50/98/1077255098.db2.gz UDMDYIQLQOXMDW-JKSUJKDBSA-N 0 3 411.568 2.767 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)CCCNCc2ccc(Br)o2)CC1 ZINC000790961847 1077255749 /nfs/dbraw/zinc/25/57/49/1077255749.db2.gz OXYVGQFXTWVEGA-UHFFFAOYSA-N 0 3 416.316 2.649 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000790975851 1077268572 /nfs/dbraw/zinc/26/85/72/1077268572.db2.gz VCSADMWXKBJYRX-QGZVFWFLSA-N 0 3 420.941 2.642 20 0 HFADHN CCCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000790976236 1077268736 /nfs/dbraw/zinc/26/87/36/1077268736.db2.gz YYZJGVNQDJQGRK-SFHVURJKSA-N 0 3 403.523 2.819 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788764065 1077280692 /nfs/dbraw/zinc/28/06/92/1077280692.db2.gz BFHUVSOPDPXYDN-GOSISDBHSA-N 0 3 405.514 2.973 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058736 1077285507 /nfs/dbraw/zinc/28/55/07/1077285507.db2.gz FIFQIAXBGRETMV-YJBOKZPZSA-N 0 3 419.570 2.984 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821638 1077309489 /nfs/dbraw/zinc/30/94/89/1077309489.db2.gz YCEUBAUWQFIYTH-QYZOEREBSA-N 0 3 406.523 2.868 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000791344115 1077380385 /nfs/dbraw/zinc/38/03/85/1077380385.db2.gz ATISESWREKHTQH-QFIPXVFZSA-N 0 3 423.529 2.935 20 0 HFADHN C[C@@H](OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1nnnn1C1CC1 ZINC000791344887 1077380604 /nfs/dbraw/zinc/38/06/04/1077380604.db2.gz GIGMLHYNVHOORC-BXKDBHETSA-N 0 3 410.261 2.972 20 0 HFADHN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)N1CCCCCC1 ZINC000791309613 1077381968 /nfs/dbraw/zinc/38/19/68/1077381968.db2.gz VLOUCTJPELDEOV-QZTJIDSGSA-N 0 3 419.570 2.805 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000789221979 1077448858 /nfs/dbraw/zinc/44/88/58/1077448858.db2.gz JMLOAMDSAVTTQX-OAQYLSRUSA-N 0 3 423.513 2.592 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)c1 ZINC000791596146 1077496833 /nfs/dbraw/zinc/49/68/33/1077496833.db2.gz YTEDWRUSHCZFFC-JPYJTQIMSA-N 0 3 423.513 2.978 20 0 HFADHN CCNC(=O)C[C@@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000789358610 1077516143 /nfs/dbraw/zinc/51/61/43/1077516143.db2.gz MSACCDYTKCNHPF-FQEVSTJZSA-N 0 3 402.608 2.906 20 0 HFADHN COc1cc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc2c1O[C@H](C)C2 ZINC000746805734 1077536123 /nfs/dbraw/zinc/53/61/23/1077536123.db2.gz DOCMPMQUMRUVFI-CYBMUJFWSA-N 0 3 411.458 2.740 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)c2)CC1 ZINC000791715590 1077536737 /nfs/dbraw/zinc/53/67/37/1077536737.db2.gz RNJVHEULLBNOJN-QFIPXVFZSA-N 0 3 408.502 2.969 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)OCc3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000791813274 1077563848 /nfs/dbraw/zinc/56/38/48/1077563848.db2.gz UWYKUZRQALGOCK-UHFFFAOYSA-N 0 3 416.543 2.978 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCN1C(=O)COc2ccccc21 ZINC000791985443 1077623459 /nfs/dbraw/zinc/62/34/59/1077623459.db2.gz CDIIFRZROQUZST-ICSRJNTNSA-N 0 3 405.498 2.945 20 0 HFADHN O=C(Oc1ccc2c(c1)C(=O)NC2)C1CCN(c2ccccc2Br)C1=O ZINC000789548866 1077640003 /nfs/dbraw/zinc/64/00/03/1077640003.db2.gz MWVOSLHMVKIVEP-CYBMUJFWSA-N 0 3 415.243 2.651 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 ZINC000792110059 1077700974 /nfs/dbraw/zinc/70/09/74/1077700974.db2.gz HMSYGUAVBSSDNC-UHFFFAOYSA-N 0 3 409.893 2.633 20 0 HFADHN O=C(NCC[S@](=O)Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000792095585 1077713354 /nfs/dbraw/zinc/71/33/54/1077713354.db2.gz AWSBHGADLRIVOZ-KERYWQKISA-N 0 3 411.571 2.709 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653150 1077721693 /nfs/dbraw/zinc/72/16/93/1077721693.db2.gz QABLPCBFSHCIEG-LPMFXHHGSA-N 0 3 405.495 2.977 20 0 HFADHN Cc1ccnc(CN2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792207620 1077746222 /nfs/dbraw/zinc/74/62/22/1077746222.db2.gz DDSOGDYIYMKLIR-SFHVURJKSA-N 0 3 402.539 2.681 20 0 HFADHN CC1([C@H]2CCCN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C2)OCCO1 ZINC000792280431 1077773340 /nfs/dbraw/zinc/77/33/40/1077773340.db2.gz VPRPRGLHNPBHBT-GTPINHCMSA-N 0 3 419.488 2.976 20 0 HFADHN CC1([C@@H]2CCCN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C2)OCCO1 ZINC000792280437 1077773460 /nfs/dbraw/zinc/77/34/60/1077773460.db2.gz VPRPRGLHNPBHBT-KLAILNCOSA-N 0 3 419.488 2.976 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272377 1077788441 /nfs/dbraw/zinc/78/84/41/1077788441.db2.gz MPUYVUDKLKNXKM-OPAMFIHVSA-N 0 3 408.502 2.925 20 0 HFADHN CCOC(=O)N[C@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792274686 1077789659 /nfs/dbraw/zinc/78/96/59/1077789659.db2.gz HURVLRCAJMLJNT-FHERZECASA-N 0 3 420.476 2.712 20 0 HFADHN C[C@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792275461 1077790459 /nfs/dbraw/zinc/79/04/59/1077790459.db2.gz BFHOENSCESVOCB-INIZCTEOSA-N 0 3 418.563 2.682 20 0 HFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000792315718 1077803767 /nfs/dbraw/zinc/80/37/67/1077803767.db2.gz FUCJGHGUIMFWSM-SJORKVTESA-N 0 3 412.575 2.527 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000789830137 1077811705 /nfs/dbraw/zinc/81/17/05/1077811705.db2.gz NAELPEPYTFEHBD-NHCUHLMSSA-N 0 3 413.518 2.570 20 0 HFADHN CN(C)C[C@H]1CN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815109 1077823712 /nfs/dbraw/zinc/82/37/12/1077823712.db2.gz WHIBIXXLEMQEKT-JKSUJKDBSA-N 0 3 401.507 2.599 20 0 HFADHN O=C(Nc1cccnc1Cl)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792398263 1077835082 /nfs/dbraw/zinc/83/50/82/1077835082.db2.gz LZZSRRMBWDUVDM-UHFFFAOYSA-N 0 3 404.820 2.595 20 0 HFADHN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792490121 1077880351 /nfs/dbraw/zinc/88/03/51/1077880351.db2.gz NXYNCDZQYBPSQD-UHFFFAOYSA-N 0 3 407.559 2.608 20 0 HFADHN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000790007162 1077901531 /nfs/dbraw/zinc/90/15/31/1077901531.db2.gz OXTYPCAORKSOJT-FQEVSTJZSA-N 0 3 417.531 2.549 20 0 HFADHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000790009808 1077911714 /nfs/dbraw/zinc/91/17/14/1077911714.db2.gz HUAZXDNUZFQTSZ-OAHLLOKOSA-N 0 3 403.504 2.744 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)Oc2cccc(NC(=O)c3cnn(C)c3)c2)cc1 ZINC000790016186 1077914566 /nfs/dbraw/zinc/91/45/66/1077914566.db2.gz KKNFUTAPKSKIJZ-UHFFFAOYSA-N 0 3 414.487 2.502 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC001170384480 1077956639 /nfs/dbraw/zinc/95/66/39/1077956639.db2.gz BYUSUCKVTAEFFG-CDHQVMDDSA-N 0 3 420.579 2.887 20 0 HFADHN CC(C)O[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401236 1077965238 /nfs/dbraw/zinc/96/52/38/1077965238.db2.gz ZIXSYVZXBXADJZ-HUUCEWRRSA-N 0 3 404.479 2.803 20 0 HFADHN O=C(NCCNc1nc(N2CCOCC2)cc2ccccc21)c1ccc(Cl)cn1 ZINC001170413392 1077967316 /nfs/dbraw/zinc/96/73/16/1077967316.db2.gz JHXVUNVSTKEIBH-UHFFFAOYSA-N 0 3 411.893 2.962 20 0 HFADHN COc1cnccc1N1CCN(C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000792799954 1077995137 /nfs/dbraw/zinc/99/51/37/1077995137.db2.gz ATJPDGQERVCLQX-UHFFFAOYSA-N 0 3 414.506 2.918 20 0 HFADHN CN1CCN(c2ccncc2NC(=O)c2cnc(Br)c(Cl)c2)CC1 ZINC000790330640 1077998336 /nfs/dbraw/zinc/99/83/36/1077998336.db2.gz ZQIBPAYTKLDHIU-UHFFFAOYSA-N 0 3 410.703 2.897 20 0 HFADHN CC(C)[C@H](CCN(C)CN1C[C@@]2(CN3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363686 1078005311 /nfs/dbraw/zinc/00/53/11/1078005311.db2.gz BJQAEHVORDIIEX-PGRDOPGGSA-N 0 3 424.586 2.732 20 0 HFADHN O[C@H](C[C@@H]1COCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873457 1078021770 /nfs/dbraw/zinc/02/17/70/1078021770.db2.gz SYNLGAVHWFVIEJ-BHIFYINESA-N 0 3 400.519 2.695 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cn1 ZINC000790420174 1078022368 /nfs/dbraw/zinc/02/23/68/1078022368.db2.gz GSQDMQHAALHSKF-PIPMEXSNSA-N 0 3 411.550 2.773 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000792943556 1078022759 /nfs/dbraw/zinc/02/27/59/1078022759.db2.gz MZSLCHFPQOKKLT-AWEZNQCLSA-N 0 3 400.903 2.867 20 0 HFADHN COC(=O)c1c2cnn(CN3CCN(C)C[C@H]3C(C)C)c2ccc1Br ZINC000790444960 1078033730 /nfs/dbraw/zinc/03/37/30/1078033730.db2.gz WZJMVIQQATVVGU-INIZCTEOSA-N 0 3 409.328 2.815 20 0 HFADHN COC(=O)c1c2cnn(CN3CC[C@H]([C@@H]4CCOC4)C3)c2ccc1Br ZINC000790443413 1078033815 /nfs/dbraw/zinc/03/38/15/1078033815.db2.gz VKEGVVQOZMYBKT-QWHCGFSZSA-N 0 3 408.296 2.901 20 0 HFADHN CC1(C)CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000790448194 1078034517 /nfs/dbraw/zinc/03/45/17/1078034517.db2.gz TWHWAMOBGNEHPE-QHCPKHFHSA-N 0 3 422.573 2.650 20 0 HFADHN Cc1ccn(-c2ccc(NC(=O)C(=O)N(CCc3ccccc3)CCN(C)C)cc2)n1 ZINC000792964276 1078037187 /nfs/dbraw/zinc/03/71/87/1078037187.db2.gz WXJXWYCDUDSLPZ-UHFFFAOYSA-N 0 3 419.529 2.752 20 0 HFADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000806239080 1079514970 /nfs/dbraw/zinc/51/49/70/1079514970.db2.gz MXHIAQNNRYBHSY-FGZHOGPDSA-N 0 3 423.561 2.551 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000806309390 1079564062 /nfs/dbraw/zinc/56/40/62/1079564062.db2.gz DVPGKUXDEIXEQH-WOJBJXKFSA-N 0 3 402.539 2.960 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000806309398 1079564126 /nfs/dbraw/zinc/56/41/26/1079564126.db2.gz FBOZWUWSVDPPPQ-VQTJNVASSA-N 0 3 402.539 2.961 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000806310693 1079564756 /nfs/dbraw/zinc/56/47/56/1079564756.db2.gz HPFOZDKTYNXRBK-HXUWFJFHSA-N 0 3 418.538 2.610 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350517 1079623269 /nfs/dbraw/zinc/62/32/69/1079623269.db2.gz MXZPBMQPLVHDCX-QUCCMNQESA-N 0 3 420.554 2.998 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000806495411 1079745602 /nfs/dbraw/zinc/74/56/02/1079745602.db2.gz QBNFERJMAQKJNC-FQEVSTJZSA-N 0 3 408.506 2.686 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)CC1 ZINC000806540643 1079779091 /nfs/dbraw/zinc/77/90/91/1079779091.db2.gz FPWRNRULOPRVSD-ICSRJNTNSA-N 0 3 424.586 2.530 20 0 HFADHN COC(=O)N1CCC(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000806533802 1079807155 /nfs/dbraw/zinc/80/71/55/1079807155.db2.gz IFOGNTSQEJTVJU-LJQANCHMSA-N 0 3 406.527 2.607 20 0 HFADHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001130732686 1079969879 /nfs/dbraw/zinc/96/98/79/1079969879.db2.gz AVLQKTPYDYVSPR-RTFZILSDSA-N 0 3 410.562 2.717 20 0 HFADHN COCCN1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806778807 1080004824 /nfs/dbraw/zinc/00/48/24/1080004824.db2.gz AAVXJJHXGZHGBI-VQTJNVASSA-N 0 3 424.586 2.720 20 0 HFADHN CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1 ZINC001130742497 1080006555 /nfs/dbraw/zinc/00/65/55/1080006555.db2.gz ZZCQGRYXEGFGOA-WQMHRJNTSA-N 0 3 401.551 2.847 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 ZINC000806795535 1080014646 /nfs/dbraw/zinc/01/46/46/1080014646.db2.gz CRWBBRYFDBXISL-LJQANCHMSA-N 0 3 406.527 2.607 20 0 HFADHN COC(OC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)o1 ZINC000806927413 1080095378 /nfs/dbraw/zinc/09/53/78/1080095378.db2.gz IXOIECGUAFPACC-QGZVFWFLSA-N 0 3 415.490 2.990 20 0 HFADHN CC(C)OCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806902974 1080109721 /nfs/dbraw/zinc/10/97/21/1080109721.db2.gz KTQGNGBBTZREHJ-GOSISDBHSA-N 0 3 417.472 2.927 20 0 HFADHN CC(C)OCCN1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000806903550 1080109790 /nfs/dbraw/zinc/10/97/90/1080109790.db2.gz QJIWFVMUVWXGEA-WMZOPIPTSA-N 0 3 412.575 2.573 20 0 HFADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001130807673 1080176800 /nfs/dbraw/zinc/17/68/00/1080176800.db2.gz YPMCNAHZQGWDBP-UHFFFAOYSA-N 0 3 424.261 2.560 20 0 HFADHN CCOC(=O)C1=C(Nc2ncc(C(=O)Nc3ccccn3)cc2Cl)CCNC1 ZINC001170515337 1080191756 /nfs/dbraw/zinc/19/17/56/1080191756.db2.gz JAILXUQIMIQEII-UHFFFAOYSA-N 0 3 401.854 2.605 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037788 1080227447 /nfs/dbraw/zinc/22/74/47/1080227447.db2.gz CBQXMWLFCKCCGR-FCHUYYIVSA-N 0 3 424.545 2.788 20 0 HFADHN C[C@H]1[C@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000807038476 1080228928 /nfs/dbraw/zinc/22/89/28/1080228928.db2.gz HRKKUAQUVHTDHP-QFBILLFUSA-N 0 3 402.539 2.816 20 0 HFADHN CCOC(=O)C1=C(Nc2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)CCNC1 ZINC001170517205 1080255064 /nfs/dbraw/zinc/25/50/64/1080255064.db2.gz LMYMTXDAFLGZPH-UHFFFAOYSA-N 0 3 404.470 2.699 20 0 HFADHN CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COC3(CCOCC3)O2)N(C)C)cc1 ZINC000807077492 1080258894 /nfs/dbraw/zinc/25/88/94/1080258894.db2.gz HVHSMLGLSGNEEK-NHCUHLMSSA-N 0 3 419.566 2.709 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000807174757 1080328404 /nfs/dbraw/zinc/32/84/04/1080328404.db2.gz CYXSYKOOYLGTJA-UHFFFAOYSA-N 0 3 403.473 2.873 20 0 HFADHN C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000807177446 1080369623 /nfs/dbraw/zinc/36/96/23/1080369623.db2.gz YTPVFIIDWDOSTQ-DOMZBBRYSA-N 0 3 415.763 2.596 20 0 HFADHN COCC1(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268166 1080420116 /nfs/dbraw/zinc/42/01/16/1080420116.db2.gz MUSIOPDNUQXIRG-SFHVURJKSA-N 0 3 424.586 2.528 20 0 HFADHN COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C[C@@H]2O ZINC000807402675 1080598230 /nfs/dbraw/zinc/59/82/30/1080598230.db2.gz KQUCMRSTCCSFNA-QRFQSNJMSA-N 0 3 413.518 2.954 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441944 1080663290 /nfs/dbraw/zinc/66/32/90/1080663290.db2.gz SBDLDYKHXIZWPK-DODZYUBVSA-N 0 3 403.527 2.598 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807444001 1080664860 /nfs/dbraw/zinc/66/48/60/1080664860.db2.gz XKYPJNVZGWJKMG-ULQDDVLXSA-N 0 3 424.542 2.644 20 0 HFADHN CCN(C(=O)NCC1CCN(C(=O)OC)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000807525777 1080779169 /nfs/dbraw/zinc/77/91/69/1080779169.db2.gz RMMIPHKRQDBVII-FQEVSTJZSA-N 0 3 402.539 2.771 20 0 HFADHN CCOC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807590042 1080790721 /nfs/dbraw/zinc/79/07/21/1080790721.db2.gz ZYWZCYRNPHMGGS-QUCCMNQESA-N 0 3 420.554 2.997 20 0 HFADHN Cc1ccc(C[C@@H](CO)NCc2c(CNC(=O)OC(C)(C)C)cnn2C)cc1C ZINC001182204356 1126153111 /nfs/dbraw/zinc/15/31/11/1126153111.db2.gz QBQZIFUGZNSUMM-IBGZPJMESA-N 0 3 402.539 2.755 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(c3nc4ncccc4nc3Cl)CC2)CC1 ZINC001164616954 719026504 /nfs/dbraw/zinc/02/65/04/719026504.db2.gz FVPIVBMZKNOYAX-UHFFFAOYSA-N 0 3 403.914 2.922 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cncc(Cl)n3)CC2)CC1 ZINC001164617997 719030153 /nfs/dbraw/zinc/03/01/53/719030153.db2.gz UEVIBSIHCDMARK-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN c1ccc2nc(N3CCOCC3)c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164721757 720380272 /nfs/dbraw/zinc/38/02/72/720380272.db2.gz AYOWSRYMMGXTMA-FGZHOGPDSA-N 0 3 416.529 2.715 20 0 HFADHN CN(Cc1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727602 720502966 /nfs/dbraw/zinc/50/29/66/720502966.db2.gz NOYXLQAYKTWENL-NFBKMPQASA-N 0 3 407.518 2.695 20 0 HFADHN CCOC(=O)c1cc2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)[nH]c-2n1 ZINC001164730696 720574519 /nfs/dbraw/zinc/57/45/19/720574519.db2.gz YLMNBXQBYNNLFA-UHFFFAOYSA-N 0 3 408.506 2.595 20 0 HFADHN COC(=O)C[C@H](c1ccnc(N2CCc3ncc(CN4CCCC4)n3CC2)c1)C1CC1 ZINC001164736578 720579452 /nfs/dbraw/zinc/57/94/52/720579452.db2.gz NTYATQBUCLFRAU-NRFANRHFSA-N 0 3 423.561 2.993 20 0 HFADHN Clc1cc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)ccn1 ZINC001164743104 720655004 /nfs/dbraw/zinc/65/50/04/720655004.db2.gz OYNFMRNPNBNQPS-QZTJIDSGSA-N 0 3 408.893 2.929 20 0 HFADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744225 720800006 /nfs/dbraw/zinc/80/00/06/720800006.db2.gz IBYDIQUZSRVCIW-ZIAGYGMSSA-N 0 3 416.407 2.838 20 0 HFADHN c1ccc(SCc2nccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164749808 720802223 /nfs/dbraw/zinc/80/22/23/720802223.db2.gz UOQVMYZWOQSLHL-QZTJIDSGSA-N 0 3 420.542 2.901 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164866311 721057248 /nfs/dbraw/zinc/05/72/48/721057248.db2.gz DVIBEAZVDBTLFF-HZPDHXFCSA-N 0 3 417.966 2.794 20 0 HFADHN COc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164865873 721060870 /nfs/dbraw/zinc/06/08/70/721060870.db2.gz BCWTZVORSFUOQS-ROUUACIJSA-N 0 3 421.501 2.522 20 0 HFADHN c1ccc(COc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867127 721062132 /nfs/dbraw/zinc/06/21/32/721062132.db2.gz IHCRXZYOEDFWRL-FGZHOGPDSA-N 0 3 417.513 2.930 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164866953 721097379 /nfs/dbraw/zinc/09/73/79/721097379.db2.gz VLKATCPDRMNNID-LSDHHAIUSA-N 0 3 416.938 2.923 20 0 HFADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863462 721112101 /nfs/dbraw/zinc/11/21/01/721112101.db2.gz CIKRKHNFOAHZLN-UXHICEINSA-N 0 3 418.497 2.896 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865468 721112677 /nfs/dbraw/zinc/11/26/77/721112677.db2.gz LNNABGDIHMSZLI-IRXDYDNUSA-N 0 3 409.465 2.652 20 0 HFADHN CCOC(=O)c1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870219 721125792 /nfs/dbraw/zinc/12/57/92/721125792.db2.gz BWSFDLVCEOQZGF-IAGOWNOFSA-N 0 3 416.909 2.786 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771349 721128051 /nfs/dbraw/zinc/12/80/51/721128051.db2.gz SGQVHTKMCLSLEA-SJORKVTESA-N 0 3 417.941 2.912 20 0 HFADHN COc1cc2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771806 721143075 /nfs/dbraw/zinc/14/30/75/721143075.db2.gz UFDXBPCRFDGVKM-RBUKOAKNSA-N 0 3 407.518 2.944 20 0 HFADHN COc1cccc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164761665 721145834 /nfs/dbraw/zinc/14/58/34/721145834.db2.gz ACUAETIEKLXFAS-JKSUJKDBSA-N 0 3 412.925 2.984 20 0 HFADHN CCOC(=O)c1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ccc1Cl ZINC001164761334 721178955 /nfs/dbraw/zinc/17/89/55/721178955.db2.gz APSJKAYDFQTELY-JKSUJKDBSA-N 0 3 403.914 2.604 20 0 HFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CCN3C2)c1 ZINC001164880377 721182417 /nfs/dbraw/zinc/18/24/17/721182417.db2.gz WBQCQSSVHCMLNN-NHCUHLMSSA-N 0 3 409.534 2.920 20 0 HFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CCN3C2)c1 ZINC001164880375 721183127 /nfs/dbraw/zinc/18/31/27/721183127.db2.gz WBQCQSSVHCMLNN-LEWJYISDSA-N 0 3 409.534 2.920 20 0 HFADHN COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164762724 721189147 /nfs/dbraw/zinc/18/91/47/721189147.db2.gz DMZUGBLZUCURIP-BDTNDASRSA-N 0 3 423.561 2.830 20 0 HFADHN COc1cc2cnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)cc2cc1OC ZINC001164768279 721211334 /nfs/dbraw/zinc/21/13/34/721211334.db2.gz KTLMBUKOWLTPOF-XLIONFOSSA-N 0 3 407.518 2.944 20 0 HFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885691 721381796 /nfs/dbraw/zinc/38/17/96/721381796.db2.gz CZCXHNIVHHZKEX-VLIAUNLRSA-N 0 3 422.936 2.516 20 0 HFADHN CCOC(=O)c1cc(Cl)nnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899706 721522362 /nfs/dbraw/zinc/52/23/62/721522362.db2.gz LULYQBWSCBERQA-GOEBONIOSA-N 0 3 420.872 2.788 20 0 HFADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911022 721539607 /nfs/dbraw/zinc/53/96/07/721539607.db2.gz VEMMPUYVCFQIHM-AEFFLSMTSA-N 0 3 415.465 2.748 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCNC3)[C@H]2CCCO[C@@H]12 ZINC001164807854 721572662 /nfs/dbraw/zinc/57/26/62/721572662.db2.gz TYBNYANGLWEXNT-CZTZKLFOSA-N 0 3 413.953 2.644 20 0 HFADHN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(CN(C)C)ccn1 ZINC001164902842 721578346 /nfs/dbraw/zinc/57/83/46/721578346.db2.gz JGNHTSMDNVAKCO-OAQYLSRUSA-N 0 3 413.566 2.907 20 0 HFADHN NC(=O)c1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905528 721586168 /nfs/dbraw/zinc/58/61/68/721586168.db2.gz JRFDMJZDYNNWIN-IBGZPJMESA-N 0 3 421.879 2.967 20 0 HFADHN O=C1COc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2N1 ZINC001164906531 721709729 /nfs/dbraw/zinc/70/97/29/721709729.db2.gz MMQFUVOUKSIOCH-HXUWFJFHSA-N 0 3 415.444 2.545 20 0 HFADHN FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976326 722102920 /nfs/dbraw/zinc/10/29/20/722102920.db2.gz CPKRZQWLSNUEGJ-HZPDHXFCSA-N 0 3 409.868 2.797 20 0 HFADHN Clc1nc2cnccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979270 722109090 /nfs/dbraw/zinc/10/90/90/722109090.db2.gz PRFXMGAIRQYLNR-QFBILLFUSA-N 0 3 410.909 2.801 20 0 HFADHN COc1ccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164979197 722118974 /nfs/dbraw/zinc/11/89/74/722118974.db2.gz PMPRURBEKZTDTH-XMSQKQJNSA-N 0 3 405.502 2.761 20 0 HFADHN Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971955 722120756 /nfs/dbraw/zinc/12/07/56/722120756.db2.gz DZMIANSKPSUCMB-QAPCUYQASA-N 0 3 423.895 2.984 20 0 HFADHN CSc1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971912 722121527 /nfs/dbraw/zinc/12/15/27/722121527.db2.gz DMYYLVMEFJDACW-HZPDHXFCSA-N 0 3 405.955 2.974 20 0 HFADHN Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164970929 722125904 /nfs/dbraw/zinc/12/59/04/722125904.db2.gz ASUUAMZAYUOZBO-NVXWUHKLSA-N 0 3 423.895 2.984 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983876 722129970 /nfs/dbraw/zinc/12/99/70/722129970.db2.gz VWUFVAXQWCVHQS-VGSWGCGISA-N 0 3 423.492 2.900 20 0 HFADHN COc1nnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164985490 722140013 /nfs/dbraw/zinc/14/00/13/722140013.db2.gz ZQCJXSLUOZHTIM-WIYYLYMNSA-N 0 3 405.502 2.761 20 0 HFADHN CN1CCN(c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995019 722193104 /nfs/dbraw/zinc/19/31/04/722193104.db2.gz RLEGEVBLKDKBQN-HSZRJFAPSA-N 0 3 410.541 2.612 20 0 HFADHN NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000747099623 1078051730 /nfs/dbraw/zinc/05/17/30/1078051730.db2.gz LCGCEMMXEAYRLR-UHFFFAOYSA-N 0 3 420.560 2.569 20 0 HFADHN Cn1cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000793181329 1078095635 /nfs/dbraw/zinc/09/56/35/1078095635.db2.gz BTGSHUFHGDWWMR-JOCHJYFZSA-N 0 3 423.517 2.917 20 0 HFADHN C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790738241 1078120099 /nfs/dbraw/zinc/12/00/99/1078120099.db2.gz FOPKTADFFZMTPH-NMNUPHIUSA-N 0 3 411.521 2.806 20 0 HFADHN CS[C@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@H]1N(C)C ZINC000790823946 1078157237 /nfs/dbraw/zinc/15/72/37/1078157237.db2.gz GQJHGTDBFJOEFH-ZJUUUORDSA-N 0 3 423.174 2.724 20 0 HFADHN CC(C)N1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793384927 1078162235 /nfs/dbraw/zinc/16/22/35/1078162235.db2.gz QBKJLJNJCUMCFV-PMACEKPBSA-N 0 3 410.518 2.521 20 0 HFADHN CC(C)CN(CCN(C)C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793436074 1078171779 /nfs/dbraw/zinc/17/17/79/1078171779.db2.gz MTGLESJSYLUKBJ-PMACEKPBSA-N 0 3 412.534 2.625 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515344 1078197383 /nfs/dbraw/zinc/19/73/83/1078197383.db2.gz DOPPYYYXTYEVEN-LEWJYISDSA-N 0 3 411.502 2.998 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516857 1078197602 /nfs/dbraw/zinc/19/76/02/1078197602.db2.gz JCLKZTWADWWVTD-UWJYYQICSA-N 0 3 409.502 2.763 20 0 HFADHN COc1cc([C@H](C)N[C@H](CO)C[C@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570207 1078212152 /nfs/dbraw/zinc/21/21/52/1078212152.db2.gz PGMCPHGRJIXNML-RBOXIYTFSA-N 0 3 409.495 2.500 20 0 HFADHN CN(C)[C@H](CNC(=O)CN(C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC001170435481 1078225385 /nfs/dbraw/zinc/22/53/85/1078225385.db2.gz PQQIUBVPFCVOJG-LJQANCHMSA-N 0 3 418.582 2.785 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793609487 1078227566 /nfs/dbraw/zinc/22/75/66/1078227566.db2.gz KUUVBHSXAUOQIP-GOTSBHOMSA-N 0 3 423.557 2.656 20 0 HFADHN CCN1C(=O)CN(CN2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)C1=O ZINC000793726719 1078268258 /nfs/dbraw/zinc/26/82/58/1078268258.db2.gz YJWKIUHOULKREO-OAQYLSRUSA-N 0 3 400.567 2.893 20 0 HFADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793726982 1078268285 /nfs/dbraw/zinc/26/82/85/1078268285.db2.gz UXZQCQZLVWLBML-DHIUTWEWSA-N 0 3 423.557 2.560 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)N1CCCCC1 ZINC000793715260 1078262364 /nfs/dbraw/zinc/26/23/64/1078262364.db2.gz XFXPEMJKNLLNKH-CYBMUJFWSA-N 0 3 414.319 2.537 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCCCC1 ZINC000793714854 1078262389 /nfs/dbraw/zinc/26/23/89/1078262389.db2.gz UNPFEMNSQLOSNY-INIZCTEOSA-N 0 3 414.481 2.620 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC1(c2c(F)cccc2F)CCCC1)N1CCCCC1 ZINC000793721414 1078265176 /nfs/dbraw/zinc/26/51/76/1078265176.db2.gz JIFQLZXDQBONCF-MRXNPFEDSA-N 0 3 407.505 2.883 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)N1CCCCC1 ZINC000793723276 1078266224 /nfs/dbraw/zinc/26/62/24/1078266224.db2.gz LYAMLKTZNUTOQJ-ZIAGYGMSSA-N 0 3 401.429 2.753 20 0 HFADHN COc1cccc(C2(CNC(=O)C(=O)NC[C@@H](C)N3CCCCC3)CCCC2)c1 ZINC000793702144 1078274359 /nfs/dbraw/zinc/27/43/59/1078274359.db2.gz SMDOBFWCTHKRRN-GOSISDBHSA-N 0 3 401.551 2.614 20 0 HFADHN N=C(NOCc1cccc(Br)n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000793845956 1078313245 /nfs/dbraw/zinc/31/32/45/1078313245.db2.gz YMFDXTZKJAIPIZ-INIZCTEOSA-N 0 3 405.296 2.744 20 0 HFADHN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000772838703 1078329618 /nfs/dbraw/zinc/32/96/18/1078329618.db2.gz UVSOYYICQDQJAX-JBACZVJFSA-N 0 3 402.922 2.763 20 0 HFADHN COCN1C(=O)CCc2cc(NC(=O)CC3(N4CCOCC4)CCCC3)ccc21 ZINC000793907998 1078334732 /nfs/dbraw/zinc/33/47/32/1078334732.db2.gz CCYCBEIUWKJYDE-UHFFFAOYSA-N 0 3 401.507 2.543 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170439926 1078341979 /nfs/dbraw/zinc/34/19/79/1078341979.db2.gz ANHDWUKFASBZDX-SRYPRDQNSA-N 0 3 423.513 2.793 20 0 HFADHN COCCCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)C1CCN(C)CC1 ZINC000794052407 1078366358 /nfs/dbraw/zinc/36/63/58/1078366358.db2.gz VQBYVALMEZCKCN-KRWDZBQOSA-N 0 3 423.501 2.551 20 0 HFADHN CCc1nc(C)c(CN2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000794292882 1078402540 /nfs/dbraw/zinc/40/25/40/1078402540.db2.gz KOFXUKXJSPBTAE-QGZVFWFLSA-N 0 3 420.554 2.837 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794344752 1078420936 /nfs/dbraw/zinc/42/09/36/1078420936.db2.gz NRRLNNHTDBWHFR-KRWDZBQOSA-N 0 3 418.538 2.776 20 0 HFADHN CC[C@H](Sc1nc(CC(=O)N(CC(C)C)C2CCN(C)CC2)cs1)C(N)=O ZINC001129459360 1078486319 /nfs/dbraw/zinc/48/63/19/1078486319.db2.gz IXESHWOBEDTMRL-INIZCTEOSA-N 0 3 412.625 2.620 20 0 HFADHN CCS(=O)(=O)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccs1 ZINC001129863778 1078541547 /nfs/dbraw/zinc/54/15/47/1078541547.db2.gz ZGCXYVWDPVCIQX-RTBURBONSA-N 0 3 420.600 2.905 20 0 HFADHN Cn1cc(CCC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129611159 1078581889 /nfs/dbraw/zinc/58/18/89/1078581889.db2.gz FLYSRJAZWLXLLU-UHFFFAOYSA-N 0 3 415.969 2.819 20 0 HFADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731260 1078589185 /nfs/dbraw/zinc/58/91/85/1078589185.db2.gz LCFNYZPBWJTGFE-AEFFLSMTSA-N 0 3 409.452 2.622 20 0 HFADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731262 1078589360 /nfs/dbraw/zinc/58/93/60/1078589360.db2.gz LCFNYZPBWJTGFE-SJLPKXTDSA-N 0 3 409.452 2.622 20 0 HFADHN Cc1ccc([C@@H](CNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)N2CCCC2)cc1 ZINC000747216875 1078659851 /nfs/dbraw/zinc/65/98/51/1078659851.db2.gz AXZBWDLPNJKUCN-YLJYHZDGSA-N 0 3 424.467 2.822 20 0 HFADHN CC(=O)c1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(S(N)(=O)=O)c1 ZINC000804811878 1078657073 /nfs/dbraw/zinc/65/70/73/1078657073.db2.gz FRLCBQVLHAWULH-JOCHJYFZSA-N 0 3 413.543 2.639 20 0 HFADHN CCN(CC)[C@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)c1cccc(OC)c1 ZINC000804900039 1078755850 /nfs/dbraw/zinc/75/58/50/1078755850.db2.gz XAXKPTNCAYHDFL-HXUWFJFHSA-N 0 3 420.554 2.856 20 0 HFADHN O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000805075257 1078907362 /nfs/dbraw/zinc/90/73/62/1078907362.db2.gz VNCJEXQFSHMMLS-ZCNNSNEGSA-N 0 3 407.942 2.970 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000805122468 1078921641 /nfs/dbraw/zinc/92/16/41/1078921641.db2.gz XUEIEIBOYCQTAC-QGZVFWFLSA-N 0 3 402.438 2.779 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000805159468 1078951374 /nfs/dbraw/zinc/95/13/74/1078951374.db2.gz HOZHKGZHPMEEDI-UHFFFAOYSA-N 0 3 419.541 2.537 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234281 1078989838 /nfs/dbraw/zinc/98/98/38/1078989838.db2.gz NZPLMMUTFDAMBX-CVEARBPZSA-N 0 3 400.500 2.779 20 0 HFADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236374 1078993683 /nfs/dbraw/zinc/99/36/83/1078993683.db2.gz LYWXUHFXRYPOAI-IRXDYDNUSA-N 0 3 408.424 2.793 20 0 HFADHN COc1ccc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cc1-n1cnnn1 ZINC001130258434 1079146781 /nfs/dbraw/zinc/14/67/81/1079146781.db2.gz XMLUWFZTBCBBLR-FQEVSTJZSA-N 0 3 420.517 2.796 20 0 HFADHN Cc1cccc2c(CCNC(=O)C(=O)N(CCc3ccccc3)CCN(C)C)c[nH]c21 ZINC000805663120 1079209573 /nfs/dbraw/zinc/20/95/73/1079209573.db2.gz QKDLMZIYDKIFQJ-UHFFFAOYSA-N 0 3 420.557 2.768 20 0 HFADHN C[C@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001130393001 1079273327 /nfs/dbraw/zinc/27/33/27/1079273327.db2.gz DICQHXJZOFVJIZ-HOYKHHGWSA-N 0 3 407.514 2.971 20 0 HFADHN CC1(C)NC(=O)N(CCCN2CCCC[C@H]2COC(=O)NC2CCCCC2)C1=O ZINC000805827181 1079297596 /nfs/dbraw/zinc/29/75/96/1079297596.db2.gz OMNLYLWFQBVEST-KRWDZBQOSA-N 0 3 408.543 2.620 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805831159 1079301089 /nfs/dbraw/zinc/30/10/89/1079301089.db2.gz SYCWLIBYTOZRPO-SFHVURJKSA-N 0 3 402.539 2.771 20 0 HFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1C ZINC001130517933 1079448778 /nfs/dbraw/zinc/44/87/78/1079448778.db2.gz AUQODSWQAHEVCW-RTBURBONSA-N 0 3 407.580 2.772 20 0 HFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1C ZINC001130517932 1079448801 /nfs/dbraw/zinc/44/88/01/1079448801.db2.gz AUQODSWQAHEVCW-RBUKOAKNSA-N 0 3 407.580 2.772 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)COc3ccc(F)cc3F)cc2)CC1 ZINC001130542078 1079462513 /nfs/dbraw/zinc/46/25/13/1079462513.db2.gz NVFHWUXRVSPJPR-UHFFFAOYSA-N 0 3 419.472 2.999 20 0 HFADHN Cn1cc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)c(C(C)(C)C)n1 ZINC001130542552 1079463394 /nfs/dbraw/zinc/46/33/94/1079463394.db2.gz ZHYQGTVUNNNYGN-UHFFFAOYSA-N 0 3 413.566 2.986 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787332490 1076745339 /nfs/dbraw/zinc/74/53/39/1076745339.db2.gz LNDJXQIMLBDQKC-YQVWRLOYSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787315818 1076759728 /nfs/dbraw/zinc/75/97/28/1076759728.db2.gz XGWUEIOXOZZUCC-QRGRWYIGSA-N 0 3 401.551 2.712 20 0 HFADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787418049 1076799115 /nfs/dbraw/zinc/79/91/15/1076799115.db2.gz MYLVLRQGLFZWNB-ZACQAIPSSA-N 0 3 417.554 2.833 20 0 HFADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787659725 1076902396 /nfs/dbraw/zinc/90/23/96/1076902396.db2.gz XPDRZTPSQUOISM-SFHVURJKSA-N 0 3 407.873 2.637 20 0 HFADHN C[C@@H](OC(=O)C1CCN(c2ccc(F)cc2)C1=O)c1nnnn1C1CCCCC1 ZINC000787661575 1076902913 /nfs/dbraw/zinc/90/29/13/1076902913.db2.gz GSDZPRIDKVAZAA-CXAGYDPISA-N 0 3 401.442 2.975 20 0 HFADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672466 1076906311 /nfs/dbraw/zinc/90/63/11/1076906311.db2.gz SMFIAOOYACXHSG-WBVHZDCISA-N 0 3 411.468 2.869 20 0 HFADHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689650 1076913435 /nfs/dbraw/zinc/91/34/35/1076913435.db2.gz MHZVNPJJWQLVOZ-CDNPAEQRSA-N 0 3 408.546 2.885 20 0 HFADHN CC(C)(C)OC(=O)NCCOCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000787731451 1076933550 /nfs/dbraw/zinc/93/35/50/1076933550.db2.gz SEYJXWPQZYGCMM-UHFFFAOYSA-N 0 3 412.575 2.624 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767027 1076941080 /nfs/dbraw/zinc/94/10/80/1076941080.db2.gz YLSBNCYFIVHYPA-SELNLUPBSA-N 0 3 418.534 2.741 20 0 HFADHN Cc1cc(N2CC[C@@H](OC(=O)C3(C)CCN(Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000772707932 1076963506 /nfs/dbraw/zinc/96/35/06/1076963506.db2.gz AIQNELDHSYEZCL-LJQANCHMSA-N 0 3 410.518 2.679 20 0 HFADHN CN(C(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746723489 1077010906 /nfs/dbraw/zinc/01/09/06/1077010906.db2.gz UUJYDXZJGZLHIO-SFHVURJKSA-N 0 3 409.469 2.930 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000788035414 1077035725 /nfs/dbraw/zinc/03/57/25/1077035725.db2.gz SRGFNDFKPDXOLG-DLBUCANVSA-N 0 3 402.539 2.887 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cccc4ccn(C)c43)cc2)CC1 ZINC000788338450 1077108273 /nfs/dbraw/zinc/10/82/73/1077108273.db2.gz VPYMDKDYQFZLIR-UHFFFAOYSA-N 0 3 405.502 2.897 20 0 HFADHN COc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cnc1Br ZINC000788453539 1077164785 /nfs/dbraw/zinc/16/47/85/1077164785.db2.gz NXNFOGJUYKNMTD-ZDUSSCGKSA-N 0 3 406.280 2.822 20 0 HFADHN C[C@]1(CNC(=O)C(=O)NCCSC(F)(F)F)CCCN1Cc1ccccc1 ZINC000788542615 1077195210 /nfs/dbraw/zinc/19/52/10/1077195210.db2.gz OBCMMCSNQBPCHF-QGZVFWFLSA-N 0 3 403.470 2.527 20 0 HFADHN COc1cccc([C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)c2nccn2C)c1 ZINC000788593262 1077215872 /nfs/dbraw/zinc/21/58/72/1077215872.db2.gz WHLZXURKDWSLPI-FQEVSTJZSA-N 0 3 414.531 2.558 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000788611545 1077227132 /nfs/dbraw/zinc/22/71/32/1077227132.db2.gz XCJJNLOICKOOEG-KRWDZBQOSA-N 0 3 411.568 2.768 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)=NO1 ZINC000788621896 1077232121 /nfs/dbraw/zinc/23/21/21/1077232121.db2.gz YFLLLUXDNQTIMW-ZBFHGGJFSA-N 0 3 422.551 2.671 20 0 HFADHN COC(=O)C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1cccc(Cl)c1 ZINC000788638375 1077241763 /nfs/dbraw/zinc/24/17/63/1077241763.db2.gz KQWAWIPOLPORNH-SFHVURJKSA-N 0 3 410.923 2.984 20 0 HFADHN CCOC(=O)C1([C@@H](C)N[C@@H](C)c2n[nH]c(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691165 1077252167 /nfs/dbraw/zinc/25/21/67/1077252167.db2.gz XWFSVIAMMAVFDV-LSDHHAIUSA-N 0 3 423.558 2.987 20 0 HFADHN COC(=O)c1csc(-c2cccc(CNCc3ccc(OCC(N)=O)cc3)c2)n1 ZINC000790996671 1077264065 /nfs/dbraw/zinc/26/40/65/1077264065.db2.gz ZOZLEMUDJDJKQB-UHFFFAOYSA-N 0 3 411.483 2.751 20 0 HFADHN COc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)nc1I ZINC000791063652 1077286914 /nfs/dbraw/zinc/28/69/14/1077286914.db2.gz XEEWNXVIRHRYQY-ZDUSSCGKSA-N 0 3 417.291 2.545 20 0 HFADHN CCN1CCN(Cc2ccc(NS(=O)(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000788840225 1077316697 /nfs/dbraw/zinc/31/66/97/1077316697.db2.gz CCEGBJIDSFMMGA-UHFFFAOYSA-N 0 3 413.543 2.999 20 0 HFADHN COC(=O)c1cn(C2CCN(C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)nn1 ZINC000788850980 1077319843 /nfs/dbraw/zinc/31/98/43/1077319843.db2.gz AABDCXPKUUMPQY-OAHLLOKOSA-N 0 3 409.531 2.641 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000791338656 1077378764 /nfs/dbraw/zinc/37/87/64/1077378764.db2.gz FQWOQFYMQWZZJY-UHFFFAOYSA-N 0 3 405.539 2.842 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3nc(Cl)cs3)cc2)CC1 ZINC000789219050 1077448399 /nfs/dbraw/zinc/44/83/99/1077448399.db2.gz NHKOPWKLXJYZAY-UHFFFAOYSA-N 0 3 408.911 2.734 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C2)c1 ZINC000791509168 1077448823 /nfs/dbraw/zinc/44/88/23/1077448823.db2.gz RVBPOZZXDZGGSS-HSZRJFAPSA-N 0 3 423.513 2.761 20 0 HFADHN CCC1=C(C(=O)OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCCO1 ZINC000791538998 1077458205 /nfs/dbraw/zinc/45/82/05/1077458205.db2.gz VEGRPLGKXKBDFP-UHFFFAOYSA-N 0 3 401.507 2.785 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000791711052 1077522707 /nfs/dbraw/zinc/52/27/07/1077522707.db2.gz OZAWCHXILJJIST-MRXNPFEDSA-N 0 3 405.543 2.863 20 0 HFADHN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000791718022 1077537956 /nfs/dbraw/zinc/53/79/56/1077537956.db2.gz KLJJRJMJIYQJJJ-OBBLNQHZSA-N 0 3 408.481 2.926 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)nc1 ZINC000792104789 1077698209 /nfs/dbraw/zinc/69/82/09/1077698209.db2.gz UUIPQXJEATWNFL-LJQANCHMSA-N 0 3 418.538 2.684 20 0 HFADHN COCCN1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792086077 1077709877 /nfs/dbraw/zinc/70/98/77/1077709877.db2.gz YCELSNPTUMMTKS-LJQANCHMSA-N 0 3 423.529 2.661 20 0 HFADHN COCCN1CCC(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792086073 1077709920 /nfs/dbraw/zinc/70/99/20/1077709920.db2.gz YCELSNPTUMMTKS-IBGZPJMESA-N 0 3 423.529 2.661 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)C2)c1 ZINC000792096904 1077713684 /nfs/dbraw/zinc/71/36/84/1077713684.db2.gz LATQJVHWUPQBHE-IFMALSPDSA-N 0 3 411.502 2.924 20 0 HFADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccco2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792201288 1077744044 /nfs/dbraw/zinc/74/40/44/1077744044.db2.gz ATZVGVBFCFTTLM-SFHVURJKSA-N 0 3 412.534 2.804 20 0 HFADHN O=C(Nc1ccc(Br)cn1)C1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792242063 1077762207 /nfs/dbraw/zinc/76/22/07/1077762207.db2.gz NPLWSHOFLMHTNA-HNNXBMFYSA-N 0 3 422.323 2.980 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCC(C2OCCO2)CC1 ZINC000792281433 1077774223 /nfs/dbraw/zinc/77/42/23/1077774223.db2.gz YEVQKSZNNXKVGM-UHFFFAOYSA-N 0 3 405.461 2.586 20 0 HFADHN O=C(NC[C@H](O)c1cccc(F)c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792276975 1077790946 /nfs/dbraw/zinc/79/09/46/1077790946.db2.gz MVYQIGKZCKIRIB-JCYILVPMSA-N 0 3 403.420 2.964 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(CCn3nc4ccccn4c3=O)CC2)CC1 ZINC000792331347 1077821775 /nfs/dbraw/zinc/82/17/75/1077821775.db2.gz KSBSURMFRIOQOH-UHFFFAOYSA-N 0 3 415.538 2.609 20 0 HFADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815108 1077823759 /nfs/dbraw/zinc/82/37/59/1077823759.db2.gz WHIBIXXLEMQEKT-HZPDHXFCSA-N 0 3 401.507 2.599 20 0 HFADHN C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000792336968 1077824738 /nfs/dbraw/zinc/82/47/38/1077824738.db2.gz YKZPKDIYRVLMSK-GHTZIAJQSA-N 0 3 418.582 2.737 20 0 HFADHN CCC[C@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@H](O)c1ccccc1 ZINC000792405351 1077838926 /nfs/dbraw/zinc/83/89/26/1077838926.db2.gz BGDKTGKMVPRSJU-GHTZIAJQSA-N 0 3 413.518 2.714 20 0 HFADHN COC(=O)c1nccc2c1cccc2N(C(=N)N)c1ccc(N2CCOCC2)cc1 ZINC001170166739 1077853955 /nfs/dbraw/zinc/85/39/55/1077853955.db2.gz NXUHSQRTMFWGAN-UHFFFAOYSA-N 0 3 405.458 2.890 20 0 HFADHN Cn1nc(Br)cc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792556051 1077901891 /nfs/dbraw/zinc/90/18/91/1077901891.db2.gz RMWUCQJGUWOZFX-UHFFFAOYSA-N 0 3 409.250 2.718 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790041308 1077908576 /nfs/dbraw/zinc/90/85/76/1077908576.db2.gz LNJFXFQTEZAIMA-WBVHZDCISA-N 0 3 411.568 2.815 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000790017656 1077914792 /nfs/dbraw/zinc/91/47/92/1077914792.db2.gz SSCCUWOBBOLILT-QGZVFWFLSA-N 0 3 411.568 2.626 20 0 HFADHN O=c1[nH]nc(C2CCN([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)o1 ZINC001170245656 1077916285 /nfs/dbraw/zinc/91/62/85/1077916285.db2.gz XTSBABKGFRZLPX-OAHLLOKOSA-N 0 3 408.405 2.752 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)cc1 ZINC000790024422 1077917483 /nfs/dbraw/zinc/91/74/83/1077917483.db2.gz GISBZSOASNESCS-UHFFFAOYSA-N 0 3 421.592 2.532 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000790025383 1077918077 /nfs/dbraw/zinc/91/80/77/1077918077.db2.gz FWUYFSOQDNSEPL-UHFFFAOYSA-N 0 3 411.568 2.862 20 0 HFADHN C[C@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@H](CN2CCN(C)CC2)C1 ZINC001170281268 1077936834 /nfs/dbraw/zinc/93/68/34/1077936834.db2.gz CMPRSQPWNUQCFB-MOPGFXCFSA-N 0 3 401.986 2.847 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC001170384484 1077956572 /nfs/dbraw/zinc/95/65/72/1077956572.db2.gz BYUSUCKVTAEFFG-CWFSZBLJSA-N 0 3 420.579 2.887 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2ncc(C)c(OC)c2C)c1 ZINC000790193894 1077967566 /nfs/dbraw/zinc/96/75/66/1077967566.db2.gz RMQIZZAPYGEKJK-UHFFFAOYSA-N 0 3 400.523 2.989 20 0 HFADHN CC(C)(C)C[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000747086878 1077997366 /nfs/dbraw/zinc/99/73/66/1077997366.db2.gz IHOHBBDGUVZLSP-MBSDFSHPSA-N 0 3 414.550 2.862 20 0 HFADHN CC(C)[C@@H](CCN(C)CN1C[C@@]2(CN3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363687 1078005371 /nfs/dbraw/zinc/00/53/71/1078005371.db2.gz BJQAEHVORDIIEX-XMSQKQJNSA-N 0 3 424.586 2.732 20 0 HFADHN COc1cnccc1N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000792853209 1078014938 /nfs/dbraw/zinc/01/49/38/1078014938.db2.gz FBPZUFSDILCSTI-KRWDZBQOSA-N 0 3 423.517 2.810 20 0 HFADHN Fc1cc(F)c(N2CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)nc1F ZINC000792880296 1078016267 /nfs/dbraw/zinc/01/62/67/1078016267.db2.gz CUYMUWGVQJAGCL-SFHVURJKSA-N 0 3 420.479 2.912 20 0 HFADHN COC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000747093853 1078033156 /nfs/dbraw/zinc/03/31/56/1078033156.db2.gz BFOPAHPARJZINV-YLJYHZDGSA-N 0 3 412.490 2.869 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000806271510 1079534524 /nfs/dbraw/zinc/53/45/24/1079534524.db2.gz CCSSNZAMIIRQBS-FQEVSTJZSA-N 0 3 420.554 2.997 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324673 1079592915 /nfs/dbraw/zinc/59/29/15/1079592915.db2.gz CXMDKHVGQSFAGC-PMACEKPBSA-N 0 3 403.486 2.527 20 0 HFADHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747325554 1079598324 /nfs/dbraw/zinc/59/83/24/1079598324.db2.gz NBYZBFJHEGISPU-CABCVRRESA-N 0 3 411.531 2.598 20 0 HFADHN C[C@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CCN(Cc2ccccc2)C1 ZINC001130609920 1079629380 /nfs/dbraw/zinc/62/93/80/1079629380.db2.gz NMMXSOBWVOTTMY-URXFXBBRSA-N 0 3 406.530 2.715 20 0 HFADHN C[C@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CCN(Cc2ccccc2)C1 ZINC001130609918 1079629386 /nfs/dbraw/zinc/62/93/86/1079629386.db2.gz NMMXSOBWVOTTMY-QPPBQGQZSA-N 0 3 406.530 2.715 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2cccc(N3CCOC3=O)c2)cc1 ZINC000806505006 1079755231 /nfs/dbraw/zinc/75/52/31/1079755231.db2.gz GFYGLANWPNKMCK-FQEVSTJZSA-N 0 3 412.490 2.754 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2cccc(N3CCOC3=O)c2)cc1 ZINC000806505007 1079755285 /nfs/dbraw/zinc/75/52/85/1079755285.db2.gz GFYGLANWPNKMCK-HXUWFJFHSA-N 0 3 412.490 2.754 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000806541149 1079778666 /nfs/dbraw/zinc/77/86/66/1079778666.db2.gz PEELSOSKMCYQGU-HXUWFJFHSA-N 0 3 424.586 2.720 20 0 HFADHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747341879 1079875489 /nfs/dbraw/zinc/87/54/89/1079875489.db2.gz INNACQQYFUUEQX-IRXDYDNUSA-N 0 3 406.889 2.625 20 0 HFADHN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747341682 1079875899 /nfs/dbraw/zinc/87/58/99/1079875899.db2.gz HDFBJJKFOCUIGA-HOTGVXAUSA-N 0 3 409.490 2.865 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343189 1079906245 /nfs/dbraw/zinc/90/62/45/1079906245.db2.gz OSSYBOKNFSBPRH-IAGOWNOFSA-N 0 3 409.515 2.589 20 0 HFADHN O=C(COc1ccc2ccccc2c1Br)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747342736 1079924442 /nfs/dbraw/zinc/92/44/42/1079924442.db2.gz NWLQRKRGVRLFMC-CVEARBPZSA-N 0 3 419.319 2.961 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806735632 1079960881 /nfs/dbraw/zinc/96/08/81/1079960881.db2.gz ATKVMCMMGFRPAS-YTFSRNRJSA-N 0 3 409.530 2.795 20 0 HFADHN CC(C)c1nnc(CCC(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)o1 ZINC001130742427 1080006719 /nfs/dbraw/zinc/00/67/19/1080006719.db2.gz WZIPHZMOHXVGCY-UHFFFAOYSA-N 0 3 415.538 2.781 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)N1CCCCC1 ZINC000806857241 1080061684 /nfs/dbraw/zinc/06/16/84/1080061684.db2.gz OLYBHSAVLRYPJQ-CYBMUJFWSA-N 0 3 419.323 2.926 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862860 1080065615 /nfs/dbraw/zinc/06/56/15/1080065615.db2.gz REUOCBKDNCNKRW-NHCUHLMSSA-N 0 3 410.518 2.711 20 0 HFADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806868836 1080068909 /nfs/dbraw/zinc/06/89/09/1080068909.db2.gz YNCKIAKHUGHFPG-UHFFFAOYSA-N 0 3 411.546 2.876 20 0 HFADHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(N3CCOCC3)nc2)N(C)C)cc1 ZINC000805276142 1080276146 /nfs/dbraw/zinc/27/61/46/1080276146.db2.gz SIBKDXUHYZDGPW-NRFANRHFSA-N 0 3 412.534 2.738 20 0 HFADHN CCOC(=O)C1=C(Nc2ccc3[nH]c4c(c3c2)CC(=O)Nc2cccnc2-4)CCNC1 ZINC001170518040 1080276234 /nfs/dbraw/zinc/27/62/34/1080276234.db2.gz XRRBNOLBBGSWPZ-UHFFFAOYSA-N 0 3 417.469 2.947 20 0 HFADHN CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807129347 1080295770 /nfs/dbraw/zinc/29/57/70/1080295770.db2.gz CVERVXUBWUTWAS-HKUYNNGSSA-N 0 3 406.527 2.607 20 0 HFADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000807139615 1080299474 /nfs/dbraw/zinc/29/94/74/1080299474.db2.gz UMNGQOAVFSFKMU-KVPLUYHFSA-N 0 3 402.539 2.816 20 0 HFADHN COC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000807147574 1080302723 /nfs/dbraw/zinc/30/27/23/1080302723.db2.gz GEBYFLODHJTACC-SQGPQFPESA-N 0 3 402.539 2.816 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000807148370 1080304694 /nfs/dbraw/zinc/30/46/94/1080304694.db2.gz CFACBMAFSBVIHO-IEZWGBDMSA-N 0 3 408.518 2.985 20 0 HFADHN CCN1CCN(c2ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000807233710 1080391896 /nfs/dbraw/zinc/39/18/96/1080391896.db2.gz ZBGWIGAJZKNMEB-SREVYHEPSA-N 0 3 402.539 2.639 20 0 HFADHN Cc1ccccc1[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000807353829 1080515267 /nfs/dbraw/zinc/51/52/67/1080515267.db2.gz UGCBWNFPRIHJBV-QFIPXVFZSA-N 0 3 409.530 2.967 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)C(=O)Nc3ccc(F)c([C@@H](C)O)c3)c2)CC1 ZINC000807398565 1080594361 /nfs/dbraw/zinc/59/43/61/1080594361.db2.gz XJHSWXJNUJMFTQ-OAHLLOKOSA-N 0 3 414.481 2.598 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000807400828 1080596770 /nfs/dbraw/zinc/59/67/70/1080596770.db2.gz FOAHBJIIJADXMV-JOQOYGCGSA-N 0 3 401.429 2.815 20 0 HFADHN CCOC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807590041 1080790199 /nfs/dbraw/zinc/79/01/99/1080790199.db2.gz ZYWZCYRNPHMGGS-ICSRJNTNSA-N 0 3 420.554 2.997 20 0 HFADHN COc1ccc(C[C@](C)(CO)NCc2ccc(Br)nc2N)cc1OC ZINC001473839848 1126200107 /nfs/dbraw/zinc/20/01/07/1126200107.db2.gz KZPIHFJMDDPCOC-GOSISDBHSA-N 0 3 410.312 2.527 20 0 HFADHN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164392234 718826128 /nfs/dbraw/zinc/82/61/28/718826128.db2.gz ZNDXVEUBIQTPIO-DOTOQJQBSA-N 0 3 410.852 2.918 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164683137 719710971 /nfs/dbraw/zinc/71/09/71/719710971.db2.gz IPXSHYHJRIFNRB-UHFFFAOYSA-N 0 3 407.609 2.526 20 0 HFADHN CN(Cc1ccc(N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1)C1CC1 ZINC001164694977 719835752 /nfs/dbraw/zinc/83/57/52/719835752.db2.gz KABLXJWUGCPMOB-LJQANCHMSA-N 0 3 419.533 2.520 20 0 HFADHN c1csc(CN2CCOC3(CCN(c4cccc(N5CCOCC5)n4)CC3)C2)c1 ZINC001164698404 719896304 /nfs/dbraw/zinc/89/63/04/719896304.db2.gz SIKJVKJJBZGXAG-UHFFFAOYSA-N 0 3 414.575 2.851 20 0 HFADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738138 720630994 /nfs/dbraw/zinc/63/09/94/720630994.db2.gz AJKUNXLIIJFRLD-ZIAGYGMSSA-N 0 3 400.845 2.554 20 0 HFADHN Clc1cccc(-c2cccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)n1 ZINC001164739249 720698719 /nfs/dbraw/zinc/69/87/19/720698719.db2.gz MKVKIPGOSWDGLT-HOTGVXAUSA-N 0 3 408.893 2.929 20 0 HFADHN Clc1cccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164738693 720764573 /nfs/dbraw/zinc/76/45/73/720764573.db2.gz GWDHRONNXBAGIL-ROUUACIJSA-N 0 3 408.893 2.929 20 0 HFADHN Cc1ccc(C)c(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164741143 720773538 /nfs/dbraw/zinc/77/35/38/720773538.db2.gz MJSXQVCMJXQPGQ-OALUTQOASA-N 0 3 402.502 2.892 20 0 HFADHN CCN(c1ccccc1)c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164744071 720791583 /nfs/dbraw/zinc/79/15/83/720791583.db2.gz HIKJGEZFPXKXDB-PMACEKPBSA-N 0 3 417.517 2.767 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CSC2 ZINC001164866243 721069479 /nfs/dbraw/zinc/06/94/79/721069479.db2.gz DALFYFWIGOTQKY-HUUCEWRRSA-N 0 3 403.939 2.752 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@H]3C2)cn1 ZINC001164763699 721087657 /nfs/dbraw/zinc/08/76/57/721087657.db2.gz GRIWMYBOSWYPJO-LSDHHAIUSA-N 0 3 404.971 2.611 20 0 HFADHN CC(C)(C)OC(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865647 721088068 /nfs/dbraw/zinc/08/80/68/721088068.db2.gz NWDOVYSWAKSQNM-UXHICEINSA-N 0 3 410.518 2.912 20 0 HFADHN Fc1ncccc1-c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864368 721115546 /nfs/dbraw/zinc/11/55/46/721115546.db2.gz FPBRMEXUAIUDOF-QZTJIDSGSA-N 0 3 406.465 2.552 20 0 HFADHN COc1cc2c(cc1Cl)ncnc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768971 721137810 /nfs/dbraw/zinc/13/78/10/721137810.db2.gz OOTFLMHHBBHPPL-CVEARBPZSA-N 0 3 412.925 2.984 20 0 HFADHN COc1cc2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771804 721145097 /nfs/dbraw/zinc/14/50/97/721145097.db2.gz UFDXBPCRFDGVKM-OALUTQOASA-N 0 3 407.518 2.944 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164762669 721146415 /nfs/dbraw/zinc/14/64/15/721146415.db2.gz DDXRAIGMXNHKLW-KGLIPLIRSA-N 0 3 403.943 2.740 20 0 HFADHN COc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164761998 721195805 /nfs/dbraw/zinc/19/58/05/721195805.db2.gz BQMJJUMUGOMARE-PMACEKPBSA-N 0 3 404.518 2.844 20 0 HFADHN COc1ccccc1-c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164762632 721210777 /nfs/dbraw/zinc/21/07/77/721210777.db2.gz DBTCDFITVPVJRV-OALUTQOASA-N 0 3 404.518 2.844 20 0 HFADHN COC(=O)c1cccc2nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)ccc21 ZINC001164770812 721224424 /nfs/dbraw/zinc/22/44/24/721224424.db2.gz OOHHQIMOEYBMBA-QZTJIDSGSA-N 0 3 405.502 2.713 20 0 HFADHN Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896115 721432358 /nfs/dbraw/zinc/43/23/58/721432358.db2.gz QNGVIJNYBBHLAT-ZJSXRUAMSA-N 0 3 422.577 2.612 20 0 HFADHN Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898408 721439116 /nfs/dbraw/zinc/43/91/16/721439116.db2.gz VYOAQPOURFOFJD-AUSIDOKSSA-N 0 3 401.599 2.848 20 0 HFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887833 721447727 /nfs/dbraw/zinc/44/77/27/721447727.db2.gz KJPTXFSDIDOXTN-HOYKHHGWSA-N 0 3 409.578 2.817 20 0 HFADHN CN(Cc1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1)C1CC1 ZINC001164788780 721474962 /nfs/dbraw/zinc/47/49/62/721474962.db2.gz KPTFCJMKSGDROT-UHFFFAOYSA-N 0 3 404.522 2.685 20 0 HFADHN CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164896552 721501598 /nfs/dbraw/zinc/50/15/98/721501598.db2.gz IJCRLLRAGMOMIA-FQEVSTJZSA-N 0 3 400.567 2.825 20 0 HFADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899674 721517778 /nfs/dbraw/zinc/51/77/78/721517778.db2.gz LOZYZHJQHJHCRF-MJGOQNOKSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1cccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc21 ZINC001164900681 721524616 /nfs/dbraw/zinc/52/46/16/721524616.db2.gz SYOQONIEYZQGEO-AEFFLSMTSA-N 0 3 422.460 2.897 20 0 HFADHN COC(=O)c1cc(F)c(C)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909731 721533723 /nfs/dbraw/zinc/53/37/23/721533723.db2.gz RRZAGRBUQHEWNI-NVXWUHKLSA-N 0 3 403.429 2.797 20 0 HFADHN CNC(=O)c1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164903428 721542133 /nfs/dbraw/zinc/54/21/33/721542133.db2.gz CLTCZQUAEIVYRA-HOCLYGCPSA-N 0 3 404.873 2.576 20 0 HFADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907620 721547709 /nfs/dbraw/zinc/54/77/09/721547709.db2.gz NQLFZHQWEFDRPA-IEBWSBKVSA-N 0 3 414.481 2.504 20 0 HFADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164911297 721556116 /nfs/dbraw/zinc/55/61/16/721556116.db2.gz YSSCFUNVBRUZTM-RBBKRZOGSA-N 0 3 420.488 2.773 20 0 HFADHN CN(Cc1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1)C1CC1 ZINC001165022500 721782126 /nfs/dbraw/zinc/78/21/26/721782126.db2.gz RQCJSAUWLKHLTE-XPNTWCBSSA-N 0 3 411.550 2.715 20 0 HFADHN F[C@H](Oc1ccc(Cl)nn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164965836 722062555 /nfs/dbraw/zinc/06/25/55/722062555.db2.gz LVSZVHJQVIRZCJ-IBGZPJMESA-N 0 3 421.904 2.772 20 0 HFADHN FC(F)(c1cc(Cl)ncn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978229 722098945 /nfs/dbraw/zinc/09/89/45/722098945.db2.gz GGPDFVPBPVEUQB-JKSUJKDBSA-N 0 3 409.868 2.797 20 0 HFADHN COC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983991 722102418 /nfs/dbraw/zinc/10/24/18/722102418.db2.gz RLEWALPZTFCVOP-LPHOPBHVSA-N 0 3 416.909 2.644 20 0 HFADHN FC(F)(c1cnc(Cl)cn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976325 722103000 /nfs/dbraw/zinc/10/30/00/722103000.db2.gz CPKRZQWLSNUEGJ-HOTGVXAUSA-N 0 3 409.868 2.797 20 0 HFADHN Clc1nc2ncccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984699 722104707 /nfs/dbraw/zinc/10/47/07/722104707.db2.gz TZNCDAWGXOVPMB-FUHWJXTLSA-N 0 3 410.909 2.801 20 0 HFADHN Clc1nc2cnccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979262 722109276 /nfs/dbraw/zinc/10/92/76/722109276.db2.gz PRFXMGAIRQYLNR-APWZRJJASA-N 0 3 410.909 2.801 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164975071 722117367 /nfs/dbraw/zinc/11/73/67/722117367.db2.gz JFYQNOILPPWTML-RBUKOAKNSA-N 0 3 424.549 2.584 20 0 HFADHN COc1nc(Cl)nc(C)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975788 722118588 /nfs/dbraw/zinc/11/85/88/722118588.db2.gz KYMMBIFXFWDEII-IAGOWNOFSA-N 0 3 403.914 2.569 20 0 HFADHN c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)nc1 ZINC001164983884 722147867 /nfs/dbraw/zinc/14/78/67/722147867.db2.gz VYKTVTDETINTRT-UGKGYDQZSA-N 0 3 402.502 2.661 20 0 HFADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@@H]32)cs1 ZINC001164986511 722185887 /nfs/dbraw/zinc/18/58/87/722185887.db2.gz FQEWBRUCPMNBRJ-PMACEKPBSA-N 0 3 401.580 2.778 20 0 HFADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@H]32)cs1 ZINC001164986516 722185907 /nfs/dbraw/zinc/18/59/07/722185907.db2.gz FQEWBRUCPMNBRJ-UXHICEINSA-N 0 3 401.580 2.778 20 0 HFADHN O=S(=O)(C1CC1)N1CCC(NCc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790553827 1078054695 /nfs/dbraw/zinc/05/46/95/1078054695.db2.gz MACJLWMDQJRYKO-UHFFFAOYSA-N 0 3 408.955 2.631 20 0 HFADHN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccccc3-n3cncn3)cc2)C1=O ZINC000790610928 1078075013 /nfs/dbraw/zinc/07/50/13/1078075013.db2.gz PBDKSWQRZXJHES-QHCPKHFHSA-N 0 3 416.485 2.782 20 0 HFADHN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267778 1078114012 /nfs/dbraw/zinc/11/40/12/1078114012.db2.gz WFAQQOHABGZHPW-MRVWCRGKSA-N 0 3 419.266 2.932 20 0 HFADHN C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747449 1078123542 /nfs/dbraw/zinc/12/35/42/1078123542.db2.gz OIXQKNNMIOFCCK-CXAGYDPISA-N 0 3 404.873 2.982 20 0 HFADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790800998 1078139111 /nfs/dbraw/zinc/13/91/11/1078139111.db2.gz SIXMPUYMLVCROI-CTNGQTDRSA-N 0 3 416.485 2.857 20 0 HFADHN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000793379155 1078154099 /nfs/dbraw/zinc/15/40/99/1078154099.db2.gz FENFOPPLQDXCHF-YPIGPJMWSA-N 0 3 409.530 2.733 20 0 HFADHN CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@H](N3CCCCC3)C2)cs1 ZINC000793465730 1078181345 /nfs/dbraw/zinc/18/13/45/1078181345.db2.gz VLJPTKUWLYAQGI-HNNXBMFYSA-N 0 3 408.568 2.911 20 0 HFADHN COCCN(C)c1ccc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000793605948 1078223185 /nfs/dbraw/zinc/22/31/85/1078223185.db2.gz SPXLCCUIXBFYLG-QFIPXVFZSA-N 0 3 404.555 2.997 20 0 HFADHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000793709684 1078260260 /nfs/dbraw/zinc/26/02/60/1078260260.db2.gz PEWRLZXZRIFLHP-GIVPXCGWSA-N 0 3 401.551 2.570 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)N1CCCCC1 ZINC000793713825 1078261789 /nfs/dbraw/zinc/26/17/89/1078261789.db2.gz PKVFBSRKLBCRSK-HNNXBMFYSA-N 0 3 424.383 2.834 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)N1CCCCC1 ZINC000793713826 1078261813 /nfs/dbraw/zinc/26/18/13/1078261813.db2.gz PKVFBSRKLBCRSK-OAHLLOKOSA-N 0 3 424.383 2.834 20 0 HFADHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000793713951 1078261822 /nfs/dbraw/zinc/26/18/22/1078261822.db2.gz QCMZEUPNMMVPRP-RBBKRZOGSA-N 0 3 415.578 2.536 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)N1CCCCC1 ZINC000793723273 1078266192 /nfs/dbraw/zinc/26/61/92/1078266192.db2.gz LYAMLKTZNUTOQJ-KGLIPLIRSA-N 0 3 401.429 2.753 20 0 HFADHN Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@H](C)N3CCCCC3)cc2)cs1 ZINC000793695269 1078270969 /nfs/dbraw/zinc/27/09/69/1078270969.db2.gz CBYXRHDHQYLHOO-HNNXBMFYSA-N 0 3 400.548 2.725 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCCCC1 ZINC000793698388 1078272480 /nfs/dbraw/zinc/27/24/80/1078272480.db2.gz KAANTUBOAZWIHE-KBXCAEBGSA-N 0 3 409.477 2.772 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)N1CCCCC1 ZINC000793698364 1078272536 /nfs/dbraw/zinc/27/25/36/1078272536.db2.gz JSGQVQWMTMQPTE-KRWDZBQOSA-N 0 3 414.575 2.535 20 0 HFADHN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccn1 ZINC000793705517 1078276761 /nfs/dbraw/zinc/27/67/61/1078276761.db2.gz DRLVAQQOWOBKFA-ROUUACIJSA-N 0 3 404.555 2.502 20 0 HFADHN Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000793849604 1078321423 /nfs/dbraw/zinc/32/14/23/1078321423.db2.gz NHBCKYUHUBXCGB-QGZVFWFLSA-N 0 3 414.575 2.794 20 0 HFADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901914 1078333218 /nfs/dbraw/zinc/33/32/18/1078333218.db2.gz OXTUSEIYXXBCRA-RBUKOAKNSA-N 0 3 414.594 2.695 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001170444686 1078391160 /nfs/dbraw/zinc/39/11/60/1078391160.db2.gz UGHVDAKQEQOOFE-XQFWAAQXSA-N 0 3 413.518 2.926 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)COc3ccc(F)cc3)cc2)CC1 ZINC000794298370 1078404255 /nfs/dbraw/zinc/40/42/55/1078404255.db2.gz NBGGBMWXYYDXSM-UHFFFAOYSA-N 0 3 415.465 2.528 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000794405488 1078427724 /nfs/dbraw/zinc/42/77/24/1078427724.db2.gz XNFJDJJJBXJQFV-SFHVURJKSA-N 0 3 406.527 2.548 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794340610 1078419817 /nfs/dbraw/zinc/41/98/17/1078419817.db2.gz YNNNFFDFODOURM-QFIPXVFZSA-N 0 3 418.538 2.776 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000794404161 1078436354 /nfs/dbraw/zinc/43/63/54/1078436354.db2.gz IHANBZBWQDARBQ-OALUTQOASA-N 0 3 420.554 2.938 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000794404160 1078436410 /nfs/dbraw/zinc/43/64/10/1078436410.db2.gz IHANBZBWQDARBQ-MOPGFXCFSA-N 0 3 420.554 2.938 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000804650716 1078477686 /nfs/dbraw/zinc/47/76/86/1078477686.db2.gz VEHSFHAAOGQJSD-AWEZNQCLSA-N 0 3 415.325 2.939 20 0 HFADHN COCc1nocc1C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497389 1078518146 /nfs/dbraw/zinc/51/81/46/1078518146.db2.gz HSBNXRWQIOGPKX-UHFFFAOYSA-N 0 3 418.925 2.901 20 0 HFADHN O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1C[C@@H](NC/C=C\c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129857603 1078538153 /nfs/dbraw/zinc/53/81/53/1078538153.db2.gz AUCVKQXQYCPMKP-PEDYQVDISA-N 0 3 403.530 2.935 20 0 HFADHN Cc1cccc(N2CCN(CCCCNc3nnc(Cl)cc3C(N)=O)CC2)c1 ZINC000747209109 1078552215 /nfs/dbraw/zinc/55/22/15/1078552215.db2.gz GMRBZNCPMSFQLT-UHFFFAOYSA-N 0 3 402.930 2.552 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC000804498533 1078553860 /nfs/dbraw/zinc/55/38/60/1078553860.db2.gz QAOJAOGWSFZNRS-GFCCVEGCSA-N 0 3 401.298 2.548 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000804498534 1078553936 /nfs/dbraw/zinc/55/39/36/1078553936.db2.gz QAOJAOGWSFZNRS-LBPRGKRZSA-N 0 3 401.298 2.548 20 0 HFADHN CCC(=O)c1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804517297 1078558006 /nfs/dbraw/zinc/55/80/06/1078558006.db2.gz RTHMXHVJSBZXNL-GOSISDBHSA-N 0 3 401.532 2.637 20 0 HFADHN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCCN2C)c1)c1ccccc1 ZINC001129903678 1078576161 /nfs/dbraw/zinc/57/61/61/1078576161.db2.gz AXCYWFZGXUSEOX-YLJYHZDGSA-N 0 3 415.559 2.892 20 0 HFADHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@H]1CCCN1C ZINC001129906078 1078578372 /nfs/dbraw/zinc/57/83/72/1078578372.db2.gz WABODPORWRTOPR-ZWKOTPCHSA-N 0 3 407.580 2.724 20 0 HFADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730155 1078588787 /nfs/dbraw/zinc/58/87/87/1078588787.db2.gz YGGXBBGJEASFPV-WMZOPIPTSA-N 0 3 409.452 2.622 20 0 HFADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731263 1078589927 /nfs/dbraw/zinc/58/99/27/1078589927.db2.gz LCFNYZPBWJTGFE-WMZOPIPTSA-N 0 3 409.452 2.622 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000804567475 1078601798 /nfs/dbraw/zinc/60/17/98/1078601798.db2.gz OHYNRYWLGFRICS-HSZRJFAPSA-N 0 3 417.550 2.796 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000804567264 1078601902 /nfs/dbraw/zinc/60/19/02/1078601902.db2.gz NXVQDNAQPHAAHU-UHFFFAOYSA-N 0 3 415.987 2.928 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000804567098 1078602311 /nfs/dbraw/zinc/60/23/11/1078602311.db2.gz KSPZPGKNIYLGLY-UNOMPAQXSA-N 0 3 407.580 2.691 20 0 HFADHN COCCOC(=O)c1c(C)[nH]c(C(=O)N(CCN(C)C)Cc2ccsc2)c1C ZINC001129700698 1078659596 /nfs/dbraw/zinc/65/95/96/1078659596.db2.gz MNYRZGYKKZINGN-UHFFFAOYSA-N 0 3 407.536 2.700 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000804906269 1078728962 /nfs/dbraw/zinc/72/89/62/1078728962.db2.gz HLGVPXYRIGQUBL-IBGZPJMESA-N 0 3 413.440 2.572 20 0 HFADHN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000804663473 1078732932 /nfs/dbraw/zinc/73/29/32/1078732932.db2.gz OFTMHNGSOHNRON-NRFANRHFSA-N 0 3 416.566 2.668 20 0 HFADHN Cc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c(CN(C)C)c1 ZINC000747223989 1078734368 /nfs/dbraw/zinc/73/43/68/1078734368.db2.gz NBNPVSHVHQCGQI-UHFFFAOYSA-N 0 3 424.545 2.950 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000804952085 1078779867 /nfs/dbraw/zinc/77/98/67/1078779867.db2.gz IJPQWOLDEAHNQP-BJKOFHAPSA-N 0 3 424.589 2.960 20 0 HFADHN COC1CCN(C2(CNS(=O)(=O)c3ccc(Cl)nc3C)CCCC2)CC1 ZINC000804988886 1078792915 /nfs/dbraw/zinc/79/29/15/1078792915.db2.gz JRPRWDLKUJGOBN-UHFFFAOYSA-N 0 3 401.960 2.745 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000804970712 1078805995 /nfs/dbraw/zinc/80/59/95/1078805995.db2.gz SXNRMOFJQDQJIT-LPHOPBHVSA-N 0 3 413.440 2.788 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000805098501 1078885384 /nfs/dbraw/zinc/88/53/84/1078885384.db2.gz IAXZSPQVGRNGSA-KBXCAEBGSA-N 0 3 401.429 2.644 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000805098526 1078885489 /nfs/dbraw/zinc/88/54/89/1078885489.db2.gz IAXZSPQVGRNGSA-KSSFIOAISA-N 0 3 401.429 2.644 20 0 HFADHN COC1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074810 1078906576 /nfs/dbraw/zinc/90/65/76/1078906576.db2.gz QBBZJFKOIDQMKR-AZXFEVOCSA-N 0 3 401.551 2.892 20 0 HFADHN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H]3CCCN3C)c2)cc1 ZINC001130097832 1078947976 /nfs/dbraw/zinc/94/79/76/1078947976.db2.gz GNPBPCDKLHOPPQ-FQEVSTJZSA-N 0 3 415.559 2.986 20 0 HFADHN COC[C@H](C)n1c(SCC(=O)N(C)C[C@@H]2CCCN2C)nnc1-c1ccccc1 ZINC001130097849 1078948078 /nfs/dbraw/zinc/94/80/78/1078948078.db2.gz GWUNIOXBKJSMFE-WMZOPIPTSA-N 0 3 417.579 2.797 20 0 HFADHN COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)s2)cc1OC ZINC000747231815 1078951807 /nfs/dbraw/zinc/95/18/07/1078951807.db2.gz OUTBUWOEYYZAJI-JKSUJKDBSA-N 0 3 417.531 2.729 20 0 HFADHN CN(C)C(=O)COc1ccccc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001130122529 1078992220 /nfs/dbraw/zinc/99/22/20/1078992220.db2.gz QCUROCDAMHIILC-CTNGQTDRSA-N 0 3 407.514 2.500 20 0 HFADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206200 1079084034 /nfs/dbraw/zinc/08/40/34/1079084034.db2.gz JPRHULVDJHXMBT-JSGCOSHPSA-N 0 3 417.926 2.661 20 0 HFADHN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001130301074 1079192203 /nfs/dbraw/zinc/19/22/03/1079192203.db2.gz GRKVOPXWNNUGBA-OALUTQOASA-N 0 3 415.563 2.810 20 0 HFADHN CCCN(C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805752181 1079231031 /nfs/dbraw/zinc/23/10/31/1079231031.db2.gz ADYCXPWYSZTFMO-ZWKOTPCHSA-N 0 3 408.930 2.959 20 0 HFADHN CCCN(C)[C@@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805753905 1079231944 /nfs/dbraw/zinc/23/19/44/1079231944.db2.gz UKDGLGOBOSSRDD-NJAFHUGGSA-N 0 3 408.930 2.863 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805838014 1079277210 /nfs/dbraw/zinc/27/72/10/1079277210.db2.gz XAWJSIFECHTHQP-UHFFFAOYSA-N 0 3 418.326 2.949 20 0 HFADHN CNC(=O)OC[C@H]1CCCCN1CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000805828275 1079298189 /nfs/dbraw/zinc/29/81/89/1079298189.db2.gz FOXVLJDUMYRPNF-CYBMUJFWSA-N 0 3 413.902 2.896 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000805831803 1079300308 /nfs/dbraw/zinc/30/03/08/1079300308.db2.gz RWRCETKLMDGKPU-FQEVSTJZSA-N 0 3 402.539 2.910 20 0 HFADHN CC[C@H]1CC(N2CCN(c3ncncn3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496319 1079396114 /nfs/dbraw/zinc/39/61/14/1079396114.db2.gz HIOBBCIVAZZFQZ-IRXDYDNUSA-N 0 3 404.559 2.950 20 0 HFADHN CN(C)CCN1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)CC1=O ZINC001130498868 1079415544 /nfs/dbraw/zinc/41/55/44/1079415544.db2.gz FRSURWCQKBWSKB-UHFFFAOYSA-N 0 3 400.910 2.612 20 0 HFADHN CN(C)CCN1CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1=O ZINC001130499135 1079416205 /nfs/dbraw/zinc/41/62/05/1079416205.db2.gz XPMQAORFLXOMGL-CSKARUKUSA-N 0 3 401.507 2.800 20 0 HFADHN Cc1nc(CSc2ccccc2C(=O)N2CCN(CCN(C)C)C(=O)C2)cs1 ZINC001130496725 1079433973 /nfs/dbraw/zinc/43/39/73/1079433973.db2.gz HKTHTKDXDPUWQF-UHFFFAOYSA-N 0 3 418.588 2.590 20 0 HFADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518224 1079449441 /nfs/dbraw/zinc/44/94/41/1079449441.db2.gz ILSABPOKXLRZIM-VQTJNVASSA-N 0 3 405.564 2.608 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1 ZINC000806155041 1079470493 /nfs/dbraw/zinc/47/04/93/1079470493.db2.gz LUWVCCCJCXBXRZ-QAPCUYQASA-N 0 3 414.472 2.853 20 0 HFADHN CC(C)[C@@H](N[C@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163872 1079473776 /nfs/dbraw/zinc/47/37/76/1079473776.db2.gz WIUDZXPTAJXLNK-HNAYVOBHSA-N 0 3 402.930 2.533 20 0 HFADHN C[C@@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000806182951 1079477190 /nfs/dbraw/zinc/47/71/90/1079477190.db2.gz IFSYLRAHTXUGRG-AEFFLSMTSA-N 0 3 415.515 2.757 20 0 HFADHN C[C@@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC001137551707 1079479092 /nfs/dbraw/zinc/47/90/92/1079479092.db2.gz OAGLIADSVXLINB-TZMCWYRMSA-N 0 3 404.864 2.852 20 0 HFADHN Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)no1 ZINC000806207799 1079493790 /nfs/dbraw/zinc/49/37/90/1079493790.db2.gz WCEPNBKYZOMLMQ-GOSISDBHSA-N 0 3 420.579 2.514 20 0 HFADHN COc1cc([C@H](C)NC[C@@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179032 1079498567 /nfs/dbraw/zinc/49/85/67/1079498567.db2.gz NYBBFLLWCUJKMD-WFASDCNBSA-N 0 3 400.447 2.513 20 0 HFADHN C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(C)(C)C1 ZINC000746676126 1076749448 /nfs/dbraw/zinc/74/94/48/1076749448.db2.gz SNXMDFFUZMWHIM-MRXNPFEDSA-N 0 3 420.579 2.996 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322274 1076765636 /nfs/dbraw/zinc/76/56/36/1076765636.db2.gz CZESIGJXWQVRAU-BZSNNMDCSA-N 0 3 424.586 2.717 20 0 HFADHN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787323191 1076766723 /nfs/dbraw/zinc/76/67/23/1076766723.db2.gz ARYNJTNROFFFOW-JENIJYKNSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001170072348 1076772921 /nfs/dbraw/zinc/77/29/21/1076772921.db2.gz KDNAIAPDZVIXEA-DLBZAZTESA-N 0 3 405.502 2.587 20 0 HFADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000787663221 1076903181 /nfs/dbraw/zinc/90/31/81/1076903181.db2.gz CTPHQCWHWHKCMG-KRWDZBQOSA-N 0 3 411.468 2.869 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000787680035 1076908914 /nfs/dbraw/zinc/90/89/14/1076908914.db2.gz ZZQXBWLAUVFXKA-LMMKCTJWSA-N 0 3 409.571 2.734 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768047 1076941370 /nfs/dbraw/zinc/94/13/70/1076941370.db2.gz XTOZYUUUHUIHIF-LLGFUMIMSA-N 0 3 410.486 2.564 20 0 HFADHN O=S(=O)(C1CC1)N1CCC(NCc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000787926587 1076999563 /nfs/dbraw/zinc/99/95/63/1076999563.db2.gz SLIHTUMDMGZMLI-UHFFFAOYSA-N 0 3 418.918 2.571 20 0 HFADHN COc1ccc(OC)c2c1CN(C[C@@H]1CN(Cc3ccccc3)CCCO1)C[C@@H]2O ZINC000788011477 1077027847 /nfs/dbraw/zinc/02/78/47/1077027847.db2.gz JSYXXIGZMYWWKM-FPOVZHCZSA-N 0 3 412.530 2.844 20 0 HFADHN CN(C)[C@@H]1CCCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788047029 1077041018 /nfs/dbraw/zinc/04/10/18/1077041018.db2.gz ODLHILXIQLEMIE-SNVBAGLBSA-N 0 3 400.704 2.615 20 0 HFADHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(Br)n[nH]3)CC2)c1 ZINC000788278583 1077096351 /nfs/dbraw/zinc/09/63/51/1077096351.db2.gz CRHRZJOLHQSZLO-UHFFFAOYSA-N 0 3 420.355 2.813 20 0 HFADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc(Br)n[nH]1 ZINC000788283382 1077097689 /nfs/dbraw/zinc/09/76/89/1077097689.db2.gz OUHQIFCIQPGFGX-UHFFFAOYSA-N 0 3 406.328 2.504 20 0 HFADHN O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000788450832 1077163712 /nfs/dbraw/zinc/16/37/12/1077163712.db2.gz XTZJJWYPWSZKLT-UHFFFAOYSA-N 0 3 415.534 2.774 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558792 1077201206 /nfs/dbraw/zinc/20/12/06/1077201206.db2.gz VYGPFYJBIBPYPG-OTWHNJEPSA-N 0 3 423.529 2.959 20 0 HFADHN COc1cc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cnc1Br ZINC000788531257 1077204130 /nfs/dbraw/zinc/20/41/30/1077204130.db2.gz WHLBQPPSUVIHJE-JSGCOSHPSA-N 0 3 400.342 2.505 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000788599250 1077218515 /nfs/dbraw/zinc/21/85/15/1077218515.db2.gz RGHCYZKSSSBNAR-QGZVFWFLSA-N 0 3 411.568 2.674 20 0 HFADHN CC1(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CCN(Cc2ccccc2)CC1 ZINC000772722217 1077228045 /nfs/dbraw/zinc/22/80/45/1077228045.db2.gz LERYKQRXJWAACL-UHFFFAOYSA-N 0 3 424.497 2.877 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)C[NH+]2CCCC2)c(C)c1Cl ZINC000788683734 1077249945 /nfs/dbraw/zinc/24/99/45/1077249945.db2.gz ULIQGHGITXGEGH-UHFFFAOYSA-N 0 3 408.973 2.897 20 0 HFADHN C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788660081 1077256550 /nfs/dbraw/zinc/25/65/50/1077256550.db2.gz AEJHJGURASDAFB-JKSUJKDBSA-N 0 3 411.568 2.767 20 0 HFADHN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788660073 1077256570 /nfs/dbraw/zinc/25/65/70/1077256570.db2.gz AEJHJGURASDAFB-CVEARBPZSA-N 0 3 411.568 2.767 20 0 HFADHN C[C@@H](Nc1ccc(OCCN2CCN(C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788721239 1077271647 /nfs/dbraw/zinc/27/16/47/1077271647.db2.gz YQWWOSXWVLRRFG-GOSISDBHSA-N 0 3 418.582 2.980 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2cnc(Br)c(Cl)c2)CC1 ZINC000791048647 1077282882 /nfs/dbraw/zinc/28/28/82/1077282882.db2.gz BTSFNBIJEDSELR-UHFFFAOYSA-N 0 3 411.687 2.864 20 0 HFADHN C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)N(C)Cc1ccccc1 ZINC000788787820 1077304250 /nfs/dbraw/zinc/30/42/50/1077304250.db2.gz SURQQXDDCFGHNP-SIKLNZKXSA-N 0 3 408.546 2.949 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(CC(NCCS(=O)(=O)CCc3ccccc3)C2)C1 ZINC000788822190 1077309259 /nfs/dbraw/zinc/30/92/59/1077309259.db2.gz JLPWHJLNXGNSAH-UHFFFAOYSA-N 0 3 408.564 2.633 20 0 HFADHN Cc1c(Cl)c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)sc1S(N)(=O)=O ZINC000791214242 1077347110 /nfs/dbraw/zinc/34/71/10/1077347110.db2.gz BWAVPHKYHAEHRP-ZDUSSCGKSA-N 0 3 415.968 2.698 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](NC(=O)N(CCN(C)C)Cc3ccccn3)C2=O)c(C)c1 ZINC000788932818 1077367903 /nfs/dbraw/zinc/36/79/03/1077367903.db2.gz BUMPCAOLEJSCRH-NRFANRHFSA-N 0 3 423.561 2.886 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000789172410 1077442769 /nfs/dbraw/zinc/44/27/69/1077442769.db2.gz WBZBSKVXRNPVLZ-UHFFFAOYSA-N 0 3 424.545 2.878 20 0 HFADHN CN(C)CCn1c(=O)oc2ccc(NC(=S)NCCc3ccc(F)cc3)cc21 ZINC000789214429 1077446789 /nfs/dbraw/zinc/44/67/89/1077446789.db2.gz ZZTLGURVLOKCIF-UHFFFAOYSA-N 0 3 402.495 2.824 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C(F)(F)C2CCOCC2)CC1 ZINC000791598730 1077498312 /nfs/dbraw/zinc/49/83/12/1077498312.db2.gz WGMYINJLJWGSNX-UHFFFAOYSA-N 0 3 424.488 2.634 20 0 HFADHN CCNC(=O)C[C@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000789358614 1077516175 /nfs/dbraw/zinc/51/61/75/1077516175.db2.gz MSACCDYTKCNHPF-HXUWFJFHSA-N 0 3 402.608 2.906 20 0 HFADHN O=C(OC[C@H]1CCCS(=O)(=O)C1)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000791778734 1077550066 /nfs/dbraw/zinc/55/00/66/1077550066.db2.gz LXZKUOMBPTVQAB-YPMHNXCESA-N 0 3 420.314 2.714 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)C2)c1 ZINC000791753040 1077552702 /nfs/dbraw/zinc/55/27/02/1077552702.db2.gz XZUXDLPQSWLEKZ-JTHBVZDNSA-N 0 3 423.513 2.596 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1cccc2ncccc21 ZINC000791884084 1077585473 /nfs/dbraw/zinc/58/54/73/1077585473.db2.gz KIWMMLFTXITKHU-UHFFFAOYSA-N 0 3 422.533 2.697 20 0 HFADHN C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922699 1077612540 /nfs/dbraw/zinc/61/25/40/1077612540.db2.gz USMUKQFXFQWBCG-SCLBCKFNSA-N 0 3 408.428 2.640 20 0 HFADHN CCn1c2ccccc2n(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1=O ZINC000791981274 1077621651 /nfs/dbraw/zinc/62/16/51/1077621651.db2.gz GPKHRWHXKXNLNK-ICSRJNTNSA-N 0 3 404.514 2.966 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000791982054 1077621970 /nfs/dbraw/zinc/62/19/70/1077621970.db2.gz ODUKSQXADHDSHX-XJABCFGWSA-N 0 3 404.514 2.573 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CC(C)C)C3CCN(C)CC3)C2)c1 ZINC000792170470 1077733417 /nfs/dbraw/zinc/73/34/17/1077733417.db2.gz LDJAASYAHQPZER-NRFANRHFSA-N 0 3 403.523 2.776 20 0 HFADHN COc1cccc([C@H](O)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792279254 1077773005 /nfs/dbraw/zinc/77/30/05/1077773005.db2.gz UCWDHTGCVJNFME-LEOMRAHMSA-N 0 3 415.456 2.833 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3nc(C(C)C)cs3)cc2)CC1 ZINC000789749459 1077781171 /nfs/dbraw/zinc/78/11/71/1077781171.db2.gz PIHYJGFPDNWUIQ-UHFFFAOYSA-N 0 3 401.536 2.986 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(Cl)nc3C)cc2)CC1 ZINC000789749051 1077781196 /nfs/dbraw/zinc/78/11/96/1077781196.db2.gz IZIHLNIGXMOYFA-UHFFFAOYSA-N 0 3 401.898 2.763 20 0 HFADHN COc1ccc(COC[C@@H](O)CN2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792388312 1077831457 /nfs/dbraw/zinc/83/14/57/1077831457.db2.gz DBDZKJVQPTXUQD-KRWDZBQOSA-N 0 3 420.481 2.659 20 0 HFADHN CN(C)c1ccc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792397116 1077833520 /nfs/dbraw/zinc/83/35/20/1077833520.db2.gz FIPHJQDGVLUXMV-UHFFFAOYSA-N 0 3 412.456 2.613 20 0 HFADHN CN(C(=O)c1ccc(NC(=O)c2ccn(CC(F)F)n2)cc1)[C@H]1CCCN(C)C1 ZINC000789961985 1077871967 /nfs/dbraw/zinc/87/19/67/1077871967.db2.gz QXKISEGEJBHHCB-INIZCTEOSA-N 0 3 405.449 2.567 20 0 HFADHN CCOC(=O)N1CCC[C@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792555917 1077902205 /nfs/dbraw/zinc/90/22/05/1077902205.db2.gz PLHYGNVTFUWARN-JEYLPNPQSA-N 0 3 405.461 2.776 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC000790029844 1077903112 /nfs/dbraw/zinc/90/31/12/1077903112.db2.gz SSWSTEFORKNUQB-QGZVFWFLSA-N 0 3 411.568 2.768 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)cc1 ZINC000790025199 1077918048 /nfs/dbraw/zinc/91/80/48/1077918048.db2.gz YZMOHZHKRHKRGC-OAHLLOKOSA-N 0 3 421.592 2.532 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051404 1077931519 /nfs/dbraw/zinc/93/15/19/1077931519.db2.gz PCQLMJLPQVFIBM-DLBZAZTESA-N 0 3 411.568 2.862 20 0 HFADHN NC(=O)CCN(C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCOc2ccccc21 ZINC001170290294 1077938775 /nfs/dbraw/zinc/93/87/75/1077938775.db2.gz JPYCOUWGVICQJS-JXFKEZNVSA-N 0 3 409.486 2.609 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC001170384489 1077956607 /nfs/dbraw/zinc/95/66/07/1077956607.db2.gz BYUSUCKVTAEFFG-YSGRDPCXSA-N 0 3 420.579 2.887 20 0 HFADHN COC(=O)c1csc(-c2cccc(CNC(=S)NC3CCN(C)CC3)c2)n1 ZINC000790341974 1078007265 /nfs/dbraw/zinc/00/72/65/1078007265.db2.gz KJZCQAAGSXBANJ-UHFFFAOYSA-N 0 3 404.561 2.655 20 0 HFADHN COC(=O)N1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000792932207 1078028244 /nfs/dbraw/zinc/02/82/44/1078028244.db2.gz NURFQXLFFHYDBU-UHFFFAOYSA-N 0 3 410.202 2.890 20 0 HFADHN COC(=O)c1c2cnn(CN3CCN(C4CCC4)CC3)c2ccc1Br ZINC000790447888 1078034653 /nfs/dbraw/zinc/03/46/53/1078034653.db2.gz WQJVVRGPBOBRKE-UHFFFAOYSA-N 0 3 407.312 2.713 20 0 HFADHN COC(=O)Nc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000747094677 1078035731 /nfs/dbraw/zinc/03/57/31/1078035731.db2.gz FCSBVPDTBVZQQO-XLIONFOSSA-N 0 3 412.490 2.869 20 0 HFADHN COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000792990175 1078042191 /nfs/dbraw/zinc/04/21/91/1078042191.db2.gz QEAPOAOHVHUYGV-GGAORHGYSA-N 0 3 424.545 2.708 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000806309387 1079563597 /nfs/dbraw/zinc/56/35/97/1079563597.db2.gz DVPGKUXDEIXEQH-PMACEKPBSA-N 0 3 402.539 2.960 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000806309399 1079563985 /nfs/dbraw/zinc/56/39/85/1079563985.db2.gz FBOZWUWSVDPPPQ-WOJBJXKFSA-N 0 3 402.539 2.961 20 0 HFADHN CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000806474686 1079761364 /nfs/dbraw/zinc/76/13/64/1079761364.db2.gz DBUCQHBGWWENFG-BHIYHBOVSA-N 0 3 421.632 2.635 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000806541148 1079778464 /nfs/dbraw/zinc/77/84/64/1079778464.db2.gz PEELSOSKMCYQGU-FQEVSTJZSA-N 0 3 424.586 2.720 20 0 HFADHN O=C(N1CC[C@@H]2NC(=O)CC[C@@H]2C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001130690247 1079851554 /nfs/dbraw/zinc/85/15/54/1079851554.db2.gz KPXRPGILOAGOSC-UWVAXJGDSA-N 0 3 409.452 2.568 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000747342001 1079873601 /nfs/dbraw/zinc/87/36/01/1079873601.db2.gz JIVMWTSEYNLECZ-XPNTWCBSSA-N 0 3 404.514 2.973 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342029 1079874462 /nfs/dbraw/zinc/87/44/62/1079874462.db2.gz JRPXQWVMRIAYGZ-SFTDATJTSA-N 0 3 421.541 2.671 20 0 HFADHN Cc1cccn2cc(COc3ccc(C(=O)NC[C@H]4CN5CCC[C@H]5CO4)cc3)nc12 ZINC000747341899 1079875982 /nfs/dbraw/zinc/87/59/82/1079875982.db2.gz IPBLNLHOYOFCHO-UNMCSNQZSA-N 0 3 420.513 2.815 20 0 HFADHN COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000806682142 1079910276 /nfs/dbraw/zinc/91/02/76/1079910276.db2.gz CAZUIUPKSFMKIM-IEBWSBKVSA-N 0 3 406.527 2.607 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724619 1079948214 /nfs/dbraw/zinc/94/82/14/1079948214.db2.gz YTJPFKZFDVLQQR-YWZLYKJASA-N 0 3 410.518 2.877 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3ccc(OC(F)F)nc3)cc2)CC1 ZINC001130741962 1080004580 /nfs/dbraw/zinc/00/45/80/1080004580.db2.gz GKWCIKRFUSMIOS-UHFFFAOYSA-N 0 3 420.460 2.952 20 0 HFADHN C[C@@H](Oc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1)C(F)(F)F ZINC000806856711 1080060616 /nfs/dbraw/zinc/06/06/16/1080060616.db2.gz JNCRTYMXBRHSBR-UONOGXRCSA-N 0 3 401.429 2.945 20 0 HFADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000806918665 1080087842 /nfs/dbraw/zinc/08/78/42/1080087842.db2.gz GDLUHGKVXHRBEC-SECBINFHSA-N 0 3 406.683 2.781 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000806903221 1080109822 /nfs/dbraw/zinc/10/98/22/1080109822.db2.gz OBKOELKNAIILNK-IBGZPJMESA-N 0 3 412.575 2.576 20 0 HFADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806947812 1080156609 /nfs/dbraw/zinc/15/66/09/1080156609.db2.gz NRCUPTGCPDQOOO-MRXNPFEDSA-N 0 3 410.518 2.589 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000806953105 1080163558 /nfs/dbraw/zinc/16/35/58/1080163558.db2.gz HGWTUJVVJJYSCR-RLLQIKCJSA-N 0 3 402.539 2.960 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000806953775 1080163791 /nfs/dbraw/zinc/16/37/91/1080163791.db2.gz JNHGAPCYADPTEQ-GMBSWORKSA-N 0 3 413.440 2.786 20 0 HFADHN C[C@]1(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CN2CCC1CC2 ZINC001130798634 1080185418 /nfs/dbraw/zinc/18/54/18/1080185418.db2.gz IPBQXQRQSQUUID-SFHVURJKSA-N 0 3 409.328 2.561 20 0 HFADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)nc2)N(C)C)cc1 ZINC000805276143 1080276247 /nfs/dbraw/zinc/27/62/47/1080276247.db2.gz SIBKDXUHYZDGPW-OAQYLSRUSA-N 0 3 412.534 2.738 20 0 HFADHN CC(C)N1CCN(c2cccc(NC(=O)c3cnc(C4OCCO4)s3)c2)CC1 ZINC000807181832 1080374503 /nfs/dbraw/zinc/37/45/03/1080374503.db2.gz XKQGKMFWTAENIL-UHFFFAOYSA-N 0 3 402.520 2.971 20 0 HFADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)cc2)CC1 ZINC000807308067 1080500940 /nfs/dbraw/zinc/50/09/40/1080500940.db2.gz JQJIHDCEDHCMRX-UHFFFAOYSA-N 0 3 420.557 2.969 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)c2)CC1 ZINC000807309065 1080501944 /nfs/dbraw/zinc/50/19/44/1080501944.db2.gz YOKAWMJVRBQXGN-UHFFFAOYSA-N 0 3 406.530 2.973 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000807334464 1080535292 /nfs/dbraw/zinc/53/52/92/1080535292.db2.gz ORKRUZKXHVSTBH-NDEPHWFRSA-N 0 3 419.469 2.587 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc4[nH]c(C)cc4c3)cc2)CC1 ZINC000807414395 1080610505 /nfs/dbraw/zinc/61/05/05/1080610505.db2.gz CEJLSCFLLOBUJO-UHFFFAOYSA-N 0 3 419.529 2.873 20 0 HFADHN CN1CCCN(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000807438894 1080659665 /nfs/dbraw/zinc/65/96/65/1080659665.db2.gz FXSQEVAVVXFLGU-IBGZPJMESA-N 0 3 402.539 2.868 20 0 HFADHN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001203422250 1126158854 /nfs/dbraw/zinc/15/88/54/1126158854.db2.gz QUMUFSYPKUXCCG-KRWDZBQOSA-N 0 3 403.331 2.724 20 0 HFADHN Cn1cc(-c2cc(CN[C@](C)(CO)Cc3ccc(Br)cc3)on2)cn1 ZINC001560183393 1126209100 /nfs/dbraw/zinc/20/91/00/1126209100.db2.gz OFOCJDZVZJXXKG-SFHVURJKSA-N 0 3 405.296 2.921 20 0 HFADHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H]1Cc2ccccc2[C@H]1O ZINC001560615616 1126213875 /nfs/dbraw/zinc/21/38/75/1126213875.db2.gz WFZXOUSZZOETIO-QHLBDZCJSA-N 0 3 419.319 2.710 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccnc(Cl)n3)CC2)CC1 ZINC001164615319 719020852 /nfs/dbraw/zinc/02/08/52/719020852.db2.gz IHGVMMZRMILWTA-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164690014 719738068 /nfs/dbraw/zinc/73/80/68/719738068.db2.gz ORIRMOKEESOHDB-UHFFFAOYSA-N 0 3 403.527 2.609 20 0 HFADHN CCN(c1ccccc1)c1cc(N2CCC3(CCCN3CC(=O)NC)CC2)ncn1 ZINC001164689407 719749913 /nfs/dbraw/zinc/74/99/13/719749913.db2.gz FPILGTKSDLGRND-UHFFFAOYSA-N 0 3 408.550 2.815 20 0 HFADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738130 720630112 /nfs/dbraw/zinc/63/01/12/720630112.db2.gz AJKUNXLIIJFRLD-KGLIPLIRSA-N 0 3 400.845 2.554 20 0 HFADHN Cc1cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164740079 720664740 /nfs/dbraw/zinc/66/47/40/720664740.db2.gz PPCKHFBNVAJARI-OLZOCXBDSA-N 0 3 402.911 2.785 20 0 HFADHN Cc1cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164740080 720665506 /nfs/dbraw/zinc/66/55/06/720665506.db2.gz PPCKHFBNVAJARI-QWHCGFSZSA-N 0 3 402.911 2.785 20 0 HFADHN Clc1ncc(-c2ccccc2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737575 720702223 /nfs/dbraw/zinc/70/22/23/720702223.db2.gz GJBFLGKVYKCXTM-IAGOWNOFSA-N 0 3 408.893 2.929 20 0 HFADHN Clc1ccc2[nH]c3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c3c2c1 ZINC001164741621 720750122 /nfs/dbraw/zinc/75/01/22/720750122.db2.gz MTTDGQYHUYGZES-LSDHHAIUSA-N 0 3 421.892 2.896 20 0 HFADHN Clc1ccc2[nH]c3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3c2c1 ZINC001164741609 720750345 /nfs/dbraw/zinc/75/03/45/720750345.db2.gz MTTDGQYHUYGZES-HUUCEWRRSA-N 0 3 421.892 2.896 20 0 HFADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748301 720791937 /nfs/dbraw/zinc/79/19/37/720791937.db2.gz QNPKPPMBMQQWAK-KGLIPLIRSA-N 0 3 400.845 2.554 20 0 HFADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744224 720800303 /nfs/dbraw/zinc/80/03/03/720800303.db2.gz IBYDIQUZSRVCIW-UONOGXRCSA-N 0 3 416.407 2.838 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867691 721057038 /nfs/dbraw/zinc/05/70/38/721057038.db2.gz JRMWYWQPXGLQJV-VQTJNVASSA-N 0 3 410.518 2.912 20 0 HFADHN COc1ccc2nc(Cl)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762496 721072056 /nfs/dbraw/zinc/07/20/56/721072056.db2.gz FDGWUQQNEMPXKX-HZPDHXFCSA-N 0 3 412.925 2.984 20 0 HFADHN CC(C)(C)OC(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865646 721087547 /nfs/dbraw/zinc/08/75/47/721087547.db2.gz NWDOVYSWAKSQNM-PMACEKPBSA-N 0 3 410.518 2.912 20 0 HFADHN Clc1nc2ncsc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863314 721091292 /nfs/dbraw/zinc/09/12/92/721091292.db2.gz BSJSVANCWANCPH-KBPBESRZSA-N 0 3 402.911 2.614 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164866950 721097088 /nfs/dbraw/zinc/09/70/88/721097088.db2.gz VLKATCPDRMNNID-CABCVRRESA-N 0 3 416.938 2.923 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164866952 721098162 /nfs/dbraw/zinc/09/81/62/721098162.db2.gz VLKATCPDRMNNID-HUUCEWRRSA-N 0 3 416.938 2.923 20 0 HFADHN c1ccc(COc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cn2)cc1 ZINC001164863745 721121038 /nfs/dbraw/zinc/12/10/38/721121038.db2.gz DALKTZPPZICYGZ-YADHBBJMSA-N 0 3 417.513 2.930 20 0 HFADHN COc1ccc2nc(Cl)cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2n1 ZINC001164765687 721144017 /nfs/dbraw/zinc/14/40/17/721144017.db2.gz KBJQVIUKBXVWBG-JKSUJKDBSA-N 0 3 412.925 2.984 20 0 HFADHN CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763407 721171816 /nfs/dbraw/zinc/17/18/16/721171816.db2.gz FVHHGPSHEUJJBL-HOTGVXAUSA-N 0 3 414.945 2.752 20 0 HFADHN CCOC(=O)c1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1Cl ZINC001164761332 721177931 /nfs/dbraw/zinc/17/79/31/721177931.db2.gz APSJKAYDFQTELY-HOTGVXAUSA-N 0 3 403.914 2.604 20 0 HFADHN COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164770917 721209391 /nfs/dbraw/zinc/20/93/91/721209391.db2.gz PFMXOMYEDDAFDJ-OALUTQOASA-N 0 3 405.502 2.713 20 0 HFADHN c1ncn2c1CN(c1ncccc1CN1CCCC1)C[C@H](COc1cccnc1)C2 ZINC001164769066 721276456 /nfs/dbraw/zinc/27/64/56/721276456.db2.gz OBFYZBCDAROKFO-IBGZPJMESA-N 0 3 404.518 2.984 20 0 HFADHN Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896109 721432741 /nfs/dbraw/zinc/43/27/41/721432741.db2.gz QNGVIJNYBBHLAT-URXFXBBRSA-N 0 3 422.577 2.612 20 0 HFADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)c1 ZINC001164905857 721542022 /nfs/dbraw/zinc/54/20/22/721542022.db2.gz JHSDSLQICDTWEJ-HKUYNNGSSA-N 0 3 415.465 2.748 20 0 HFADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907624 721547269 /nfs/dbraw/zinc/54/72/69/721547269.db2.gz NQLFZHQWEFDRPA-PKOBYXMFSA-N 0 3 414.481 2.504 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCNC3)[C@@H]2CCCO[C@@H]12 ZINC001164807856 721573233 /nfs/dbraw/zinc/57/32/33/721573233.db2.gz TYBNYANGLWEXNT-SYYKKAFVSA-N 0 3 413.953 2.644 20 0 HFADHN CCn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913138 721725364 /nfs/dbraw/zinc/72/53/64/721725364.db2.gz UISPVSRJOIDFHX-FQEVSTJZSA-N 0 3 413.476 2.979 20 0 HFADHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CNCC3)C2 ZINC001164907789 721744926 /nfs/dbraw/zinc/74/49/26/721744926.db2.gz ASTKWULWJIICJO-UHFFFAOYSA-N 0 3 424.936 2.958 20 0 HFADHN CN(CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001165043211 721938087 /nfs/dbraw/zinc/93/80/87/721938087.db2.gz QTBRHNMRBMPBLD-UHFFFAOYSA-N 0 3 410.490 2.939 20 0 HFADHN CCN(CC)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncn1 ZINC001164963333 722058528 /nfs/dbraw/zinc/05/85/28/722058528.db2.gz WSVKHNDJIRLGDW-UHFFFAOYSA-N 0 3 410.566 2.837 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)c1 ZINC001164969491 722082460 /nfs/dbraw/zinc/08/24/60/722082460.db2.gz OQXNGCLIPXDHKA-NHCUHLMSSA-N 0 3 412.509 2.536 20 0 HFADHN COC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978286 722100140 /nfs/dbraw/zinc/10/01/40/722100140.db2.gz GOZVRHDNPUWSBB-LPHOPBHVSA-N 0 3 416.909 2.644 20 0 HFADHN COC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985887 722102573 /nfs/dbraw/zinc/10/25/73/722102573.db2.gz XLAHKDARRWYHCX-SJLPKXTDSA-N 0 3 416.909 2.644 20 0 HFADHN FC(F)(c1ccc(Cl)nn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980080 722105616 /nfs/dbraw/zinc/10/56/16/722105616.db2.gz JFAYCLFYZAIYGA-HOTGVXAUSA-N 0 3 409.868 2.797 20 0 HFADHN F[C@H](Oc1ccnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976306 722108429 /nfs/dbraw/zinc/10/84/29/722108429.db2.gz LENXIFHATMFBTC-HQRMLTQVSA-N 0 3 406.889 2.985 20 0 HFADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974905 722115091 /nfs/dbraw/zinc/11/50/91/722115091.db2.gz IVIDXQKPGHJLNK-VQTJNVASSA-N 0 3 410.518 2.607 20 0 HFADHN CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983120 722119205 /nfs/dbraw/zinc/11/92/05/722119205.db2.gz YIDFMNLLMZFBOS-NHCUHLMSSA-N 0 3 423.561 2.732 20 0 HFADHN CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164980283 722132310 /nfs/dbraw/zinc/13/23/10/722132310.db2.gz MKSSRESKEJDJQH-SFTDATJTSA-N 0 3 423.561 2.732 20 0 HFADHN COC(OC)c1cc(C)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980944 722133847 /nfs/dbraw/zinc/13/38/47/722133847.db2.gz NXSMBARUSYGQNQ-TZIWHRDSSA-N 0 3 412.534 2.804 20 0 HFADHN c1cc2c(nc(C3CC3)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164973057 722153955 /nfs/dbraw/zinc/15/39/55/722153955.db2.gz KNYRYKHKZFGPDU-QUCCMNQESA-N 0 3 404.518 2.958 20 0 HFADHN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001165006080 722270390 /nfs/dbraw/zinc/27/03/90/722270390.db2.gz LRMUNKVICOBMBV-XMMPIXPASA-N 0 3 423.536 2.744 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000790599055 1078064071 /nfs/dbraw/zinc/06/40/71/1078064071.db2.gz RMXUHPKRDBOWHE-ZWKOTPCHSA-N 0 3 403.523 2.946 20 0 HFADHN O=C(OC[C@@H]1CCCCN1CCCON1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC001170141856 1078083692 /nfs/dbraw/zinc/08/36/92/1078083692.db2.gz WRZMTFIDHAHURL-KRWDZBQOSA-N 0 3 415.490 2.691 20 0 HFADHN O=C(OCC1CCN(Cc2ccco2)CC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793176019 1078094744 /nfs/dbraw/zinc/09/47/44/1078094744.db2.gz BUKMHZCYVLZNJG-IBGZPJMESA-N 0 3 403.500 2.996 20 0 HFADHN Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000790707700 1078102645 /nfs/dbraw/zinc/10/26/45/1078102645.db2.gz CILNEJSWPYMWBZ-ROUUACIJSA-N 0 3 406.958 2.733 20 0 HFADHN CSC[C@@H](COC(=O)c1ccc2cncn2c1)OC(=O)c1ccc2cncn2c1 ZINC000793303543 1078122980 /nfs/dbraw/zinc/12/29/80/1078122980.db2.gz ITIOFOHKOSGSET-GOSISDBHSA-N 0 3 410.455 2.727 20 0 HFADHN C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747452 1078123627 /nfs/dbraw/zinc/12/36/27/1078123627.db2.gz OIXQKNNMIOFCCK-DYVFJYSZSA-N 0 3 404.873 2.982 20 0 HFADHN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000793379151 1078154142 /nfs/dbraw/zinc/15/41/42/1078154142.db2.gz FENFOPPLQDXCHF-KZKAQZJJSA-N 0 3 409.530 2.733 20 0 HFADHN CC(C)CN(CCN(C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793436077 1078171730 /nfs/dbraw/zinc/17/17/30/1078171730.db2.gz MTGLESJSYLUKBJ-WOJBJXKFSA-N 0 3 412.534 2.625 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516854 1078197357 /nfs/dbraw/zinc/19/73/57/1078197357.db2.gz JCLKZTWADWWVTD-DYESRHJHSA-N 0 3 409.502 2.763 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516856 1078197626 /nfs/dbraw/zinc/19/76/26/1078197626.db2.gz JCLKZTWADWWVTD-UTKZUKDTSA-N 0 3 409.502 2.763 20 0 HFADHN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000793493609 1078201571 /nfs/dbraw/zinc/20/15/71/1078201571.db2.gz ONFVDDMWZWPZOL-MRXNPFEDSA-N 0 3 404.555 2.955 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000793646335 1078240254 /nfs/dbraw/zinc/24/02/54/1078240254.db2.gz RXWNVXVTCSHIDY-GOSISDBHSA-N 0 3 401.551 2.519 20 0 HFADHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000793713949 1078261755 /nfs/dbraw/zinc/26/17/55/1078261755.db2.gz QCMZEUPNMMVPRP-IFMALSPDSA-N 0 3 415.578 2.536 20 0 HFADHN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793715163 1078262360 /nfs/dbraw/zinc/26/23/60/1078262360.db2.gz SCCNPKJRUXZUMQ-GJZGRUSLSA-N 0 3 415.456 2.580 20 0 HFADHN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793715168 1078262405 /nfs/dbraw/zinc/26/24/05/1078262405.db2.gz SCCNPKJRUXZUMQ-HUUCEWRRSA-N 0 3 415.456 2.580 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000793714736 1078262748 /nfs/dbraw/zinc/26/27/48/1078262748.db2.gz SYEVAEDNZKTTTD-RWMBFGLXSA-N 0 3 417.394 2.566 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCCCC1 ZINC000793720878 1078265550 /nfs/dbraw/zinc/26/55/50/1078265550.db2.gz IPQCPYIJUWTEQM-KRWDZBQOSA-N 0 3 415.534 2.677 20 0 HFADHN C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)c1nc2ccccc2s1 ZINC000793721623 1078266133 /nfs/dbraw/zinc/26/61/33/1078266133.db2.gz YXGSWVNSMPMFOS-DOTOQJQBSA-N 0 3 410.543 2.763 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1nc(-c2ccccc2F)cs1)N1CCCCC1 ZINC000793725208 1078267068 /nfs/dbraw/zinc/26/70/68/1078267068.db2.gz RAMJUQHFLQTWIM-AWEZNQCLSA-N 0 3 404.511 2.556 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436651 1078278110 /nfs/dbraw/zinc/27/81/10/1078278110.db2.gz JMAFXYWUVDVRNP-JTSKRJEESA-N 0 3 401.507 2.824 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC1(c2ccc(F)cc2F)CCCC1)N1CCCCC1 ZINC000793696650 1078272144 /nfs/dbraw/zinc/27/21/44/1078272144.db2.gz HEAUKLVTIRYCLL-MRXNPFEDSA-N 0 3 407.505 2.883 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccccc2F)c1)N1CCCCC1 ZINC000793703311 1078274972 /nfs/dbraw/zinc/27/49/72/1078274972.db2.gz ULKDZNKKZJTDQB-INIZCTEOSA-N 0 3 414.481 2.620 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)N1CCCCC1 ZINC000793706357 1078276233 /nfs/dbraw/zinc/27/62/33/1078276233.db2.gz CABCOOVTJNZSPM-CABCVRRESA-N 0 3 415.456 2.796 20 0 HFADHN CC1CCN([C@H](CNC(=O)C(=O)NC[C@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784885 1078294063 /nfs/dbraw/zinc/29/40/63/1078294063.db2.gz NUDAZIIDFPLSJA-RBUKOAKNSA-N 0 3 421.632 2.541 20 0 HFADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901911 1078333118 /nfs/dbraw/zinc/33/31/18/1078333118.db2.gz OXTUSEIYXXBCRA-MOPGFXCFSA-N 0 3 414.594 2.695 20 0 HFADHN CC1(C)CCCN(CCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793973832 1078350360 /nfs/dbraw/zinc/35/03/60/1078350360.db2.gz XQGZLXHXWBEBTE-BGYRXZFFSA-N 0 3 424.545 2.817 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001170441708 1078356691 /nfs/dbraw/zinc/35/66/91/1078356691.db2.gz JTHDDWKLXRANKV-VIZSFHNOSA-N 0 3 413.518 2.883 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000794345907 1078421170 /nfs/dbraw/zinc/42/11/70/1078421170.db2.gz UGYIKGFFGLOZFU-KRWDZBQOSA-N 0 3 418.538 2.919 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000804441929 1078506999 /nfs/dbraw/zinc/50/69/99/1078506999.db2.gz VUYUHGGFTRZFDX-UHFFFAOYSA-N 0 3 401.960 2.538 20 0 HFADHN Cc1c(C(=O)N[C@H](C)[C@@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000804475790 1078518995 /nfs/dbraw/zinc/51/89/95/1078518995.db2.gz HUPCYIOJUIAXOY-WAIKUNEKSA-N 0 3 419.529 2.724 20 0 HFADHN COC(=O)N1CCC(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000804685438 1078544845 /nfs/dbraw/zinc/54/48/45/1078544845.db2.gz IUYBWUWMVDTKBR-GOSISDBHSA-N 0 3 401.551 2.924 20 0 HFADHN Cn1ccc(CCC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC001129610758 1078581173 /nfs/dbraw/zinc/58/11/73/1078581173.db2.gz ANEVWSRRCRISSS-UHFFFAOYSA-N 0 3 415.969 2.819 20 0 HFADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730152 1078588726 /nfs/dbraw/zinc/58/87/26/1078588726.db2.gz YGGXBBGJEASFPV-AEFFLSMTSA-N 0 3 409.452 2.622 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000804563562 1078599212 /nfs/dbraw/zinc/59/92/12/1078599212.db2.gz SPZPRJQTQISMKZ-KBPBESRZSA-N 0 3 407.563 2.818 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000804567103 1078602342 /nfs/dbraw/zinc/60/23/42/1078602342.db2.gz ILJUECIZDRAHJB-UHFFFAOYSA-N 0 3 413.559 2.851 20 0 HFADHN CSC[C@H](C)C(=O)N1CCC(C(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC001129700116 1078659513 /nfs/dbraw/zinc/65/95/13/1078659513.db2.gz HHUOPOUXDBEFKD-INIZCTEOSA-N 0 3 411.637 2.876 20 0 HFADHN Cc1nc2c(cnn2-c2ccccc2)c(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)n1 ZINC000804819592 1078660724 /nfs/dbraw/zinc/66/07/24/1078660724.db2.gz AFZBFXQAAZFSIE-JLYLLQBASA-N 0 3 419.533 2.619 20 0 HFADHN CN(C[C@@H]1CCCN1C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001130098136 1078948492 /nfs/dbraw/zinc/94/84/92/1078948492.db2.gz LCMOSVPGFLKXSK-AWEZNQCLSA-N 0 3 424.286 2.643 20 0 HFADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747231762 1078950617 /nfs/dbraw/zinc/95/06/17/1078950617.db2.gz NNZJWXIYTMIOKQ-UBHSHLNASA-N 0 3 417.731 2.849 20 0 HFADHN CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000805197333 1078971328 /nfs/dbraw/zinc/97/13/28/1078971328.db2.gz CISHWHARGGJYCJ-RUZDIDTESA-N 0 3 423.557 2.701 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235902 1079004600 /nfs/dbraw/zinc/00/46/00/1079004600.db2.gz JIFYDUTYCZJRSG-GJZGRUSLSA-N 0 3 412.387 2.623 20 0 HFADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(NS(C)(=O)=O)c2)N(C)C)cc1 ZINC000805275356 1079005318 /nfs/dbraw/zinc/00/53/18/1079005318.db2.gz KPNDXXPHFWGRMI-HXUWFJFHSA-N 0 3 419.547 2.878 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000805286696 1079011557 /nfs/dbraw/zinc/01/15/57/1079011557.db2.gz RBKUVRXALJCEQE-NRFANRHFSA-N 0 3 416.566 2.912 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000805292339 1079014745 /nfs/dbraw/zinc/01/47/45/1079014745.db2.gz DDYUUJRGZGVCOE-OAQYLSRUSA-N 0 3 416.566 2.668 20 0 HFADHN CC(C)C[C@@]1(C)CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170479618 1079017086 /nfs/dbraw/zinc/01/70/86/1079017086.db2.gz KHQLYUVNDLHIAX-OAQYLSRUSA-N 0 3 423.579 2.547 20 0 HFADHN CC(C)C[C@@]1(C)CCCN1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001170479649 1079017153 /nfs/dbraw/zinc/01/71/53/1079017153.db2.gz KMLPMVFHDRLCCC-PKTZIBPZSA-N 0 3 414.550 2.862 20 0 HFADHN CC(C)C[C@]1(C)CCCN1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001170479648 1079017188 /nfs/dbraw/zinc/01/71/88/1079017188.db2.gz KMLPMVFHDRLCCC-GOTSBHOMSA-N 0 3 414.550 2.862 20 0 HFADHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000805331532 1079022369 /nfs/dbraw/zinc/02/23/69/1079022369.db2.gz OEUFPFJZZPFVHS-DWBSNAHUSA-N 0 3 419.566 2.534 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000805420510 1079054741 /nfs/dbraw/zinc/05/47/41/1079054741.db2.gz HMLADUZGJKAIKE-NRFANRHFSA-N 0 3 416.566 2.716 20 0 HFADHN CCCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000747241733 1079056770 /nfs/dbraw/zinc/05/67/70/1079056770.db2.gz PPWQNZXEUKWACC-UHFFFAOYSA-N 0 3 409.335 2.933 20 0 HFADHN O=C(CCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1)N1CCCCC1 ZINC000805542110 1079131038 /nfs/dbraw/zinc/13/10/38/1079131038.db2.gz GDVACGBHUBPBED-UHFFFAOYSA-N 0 3 402.535 2.840 20 0 HFADHN Cc1c(C(=O)NCCc2ncc(C)cc2C)nnn1-c1cccc2c1CCN(C)C2 ZINC001130264218 1079158264 /nfs/dbraw/zinc/15/82/64/1079158264.db2.gz POKLTTLAGAXERK-UHFFFAOYSA-N 0 3 404.518 2.548 20 0 HFADHN Cc1cccc(C)c1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000805680013 1079216637 /nfs/dbraw/zinc/21/66/37/1079216637.db2.gz XGVAWPZGEAFLPD-UHFFFAOYSA-N 0 3 403.473 2.788 20 0 HFADHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)N2CCCC2)cc1 ZINC000747305078 1079428988 /nfs/dbraw/zinc/42/89/88/1079428988.db2.gz GPPQTCOQXWEMIR-HXUWFJFHSA-N 0 3 405.506 2.607 20 0 HFADHN CCc1nc([C@@H](C)NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)cs1 ZINC000806115972 1079443944 /nfs/dbraw/zinc/44/39/44/1079443944.db2.gz CUAPPTHJIOGCNV-MRXNPFEDSA-N 0 3 402.564 2.516 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174522 1079464129 /nfs/dbraw/zinc/46/41/29/1079464129.db2.gz XYMOZTWIDDADQF-WMLDXEAASA-N 0 3 424.523 2.712 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)CC1 ZINC000806152400 1079468915 /nfs/dbraw/zinc/46/89/15/1079468915.db2.gz AUSXQLRHQOLODI-HXUWFJFHSA-N 0 3 417.554 2.913 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000787313182 1076759332 /nfs/dbraw/zinc/75/93/32/1076759332.db2.gz WDVHHWMAEZKKIZ-IBGZPJMESA-N 0 3 417.550 2.795 20 0 HFADHN CCN1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347026 1076788326 /nfs/dbraw/zinc/78/83/26/1076788326.db2.gz RYPRBDSIJFBROL-HZPDHXFCSA-N 0 3 405.543 2.738 20 0 HFADHN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000746677670 1076792051 /nfs/dbraw/zinc/79/20/51/1076792051.db2.gz SDGIANYKBAKLEH-HZPDHXFCSA-N 0 3 400.548 2.770 20 0 HFADHN CCN(C(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)ccc1Cl)C(C)C ZINC000787507477 1076829826 /nfs/dbraw/zinc/82/98/26/1076829826.db2.gz DGIQXASKJYXKRD-HNNXBMFYSA-N 0 3 422.957 2.750 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787683161 1076909784 /nfs/dbraw/zinc/90/97/84/1076909784.db2.gz JCEDOTZIVSYTBC-QGZVFWFLSA-N 0 3 409.571 2.735 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787703881 1076919246 /nfs/dbraw/zinc/91/92/46/1076919246.db2.gz DWKVODKOSZDSKF-WMZHIEFXSA-N 0 3 417.550 2.641 20 0 HFADHN Cn1cc(CN[C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761332 1076929882 /nfs/dbraw/zinc/92/98/82/1076929882.db2.gz JQYQLWZLKKOBKS-GJZGRUSLSA-N 0 3 418.460 2.943 20 0 HFADHN O=C1C(=O)N(CN2CC[C@@H](N3CCCC3)C2)c2ccc(Br)c(Cl)c21 ZINC000788046210 1077040657 /nfs/dbraw/zinc/04/06/57/1077040657.db2.gz KAZJJZZJTLSENB-LLVKDONJSA-N 0 3 412.715 2.759 20 0 HFADHN CN(C)[C@]1(CNC(=O)C(=O)NCCc2ccc(-c3ccccc3)cc2)CCSC1 ZINC000788240599 1077084580 /nfs/dbraw/zinc/08/45/80/1077084580.db2.gz DAUXUNCOQNKMKO-QHCPKHFHSA-N 0 3 411.571 2.566 20 0 HFADHN COC(=O)CCc1nc(COC(=O)C2(C)CCN(Cc3ccccc3)CC2)no1 ZINC000772717715 1077093121 /nfs/dbraw/zinc/09/31/21/1077093121.db2.gz HWOUARMOLGBZAR-UHFFFAOYSA-N 0 3 401.463 2.521 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000746742852 1077114192 /nfs/dbraw/zinc/11/41/92/1077114192.db2.gz OLKQRJHIAMNNRJ-GOSISDBHSA-N 0 3 402.539 2.913 20 0 HFADHN Cn1cc(-c2ccc(=O)n(CN3CCN(Cc4cccc5ccccc54)CC3)n2)cn1 ZINC000788361774 1077125868 /nfs/dbraw/zinc/12/58/68/1077125868.db2.gz CWVJAFIDOBINIX-UHFFFAOYSA-N 0 3 414.513 2.572 20 0 HFADHN Clc1ccc2c(n1)[C@H](N[C@@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637950 1077242173 /nfs/dbraw/zinc/24/21/73/1077242173.db2.gz CUHHGESKRYUUQD-IAGOWNOFSA-N 0 3 414.941 2.608 20 0 HFADHN Cc1c(CNCc2ccc(S(=O)(=O)CCO)cc2)sc2nc(C)nc(C)c12 ZINC000791006200 1077265869 /nfs/dbraw/zinc/26/58/69/1077265869.db2.gz DBASRNHJGURSFJ-UHFFFAOYSA-N 0 3 405.545 2.672 20 0 HFADHN CCS(=O)(=O)N1CCC(CN[C@H](C)c2nc(Br)ccc2F)CC1 ZINC000788743683 1077287537 /nfs/dbraw/zinc/28/75/37/1077287537.db2.gz ZWDAWVVHDDHNTN-LLVKDONJSA-N 0 3 408.337 2.696 20 0 HFADHN CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788820396 1077308279 /nfs/dbraw/zinc/30/82/79/1077308279.db2.gz OAHVDYSOJHNKKP-FKBYEOEOSA-N 0 3 406.530 2.874 20 0 HFADHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925175 1077338016 /nfs/dbraw/zinc/33/80/16/1077338016.db2.gz CULINJIGOYHMPW-APWZRJJASA-N 0 3 414.550 2.980 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCN3CCc4ccccc4C3)C2)c1 ZINC000791509169 1077448728 /nfs/dbraw/zinc/44/87/28/1077448728.db2.gz RVBPOZZXDZGGSS-QHCPKHFHSA-N 0 3 423.513 2.761 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)c1 ZINC000791596148 1077496803 /nfs/dbraw/zinc/49/68/03/1077496803.db2.gz YTEDWRUSHCZFFC-WZONZLPQSA-N 0 3 423.513 2.978 20 0 HFADHN Cc1cc(C)nc(-n2nccc2NC(=O)N(CCc2ccccc2)CCN(C)C)n1 ZINC000789311325 1077509879 /nfs/dbraw/zinc/50/98/79/1077509879.db2.gz JSFPCVZFYBOWSW-UHFFFAOYSA-N 0 3 407.522 2.917 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CCN(C)C)Cc3ccc(C)o3)C2)c1 ZINC000791636195 1077521154 /nfs/dbraw/zinc/52/11/54/1077521154.db2.gz FFVCSEZLQVKWJU-OAQYLSRUSA-N 0 3 415.490 2.689 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000791707673 1077521727 /nfs/dbraw/zinc/52/17/27/1077521727.db2.gz YCMPTOQLKWLDHB-HNKPZJSLSA-N 0 3 423.513 2.834 20 0 HFADHN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000791718023 1077537881 /nfs/dbraw/zinc/53/78/81/1077537881.db2.gz KLJJRJMJIYQJJJ-QPAHGTMLSA-N 0 3 408.481 2.926 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)CCc3nc(CSC)no3)CC2)c1 ZINC000746817001 1077570453 /nfs/dbraw/zinc/57/04/53/1077570453.db2.gz RJFYLNLSNSXFPX-UHFFFAOYSA-N 0 3 404.536 2.655 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c2)CC1 ZINC000791866046 1077591931 /nfs/dbraw/zinc/59/19/31/1077591931.db2.gz PKYKCVDZQFYISA-INIZCTEOSA-N 0 3 405.543 2.863 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000791980701 1077620581 /nfs/dbraw/zinc/62/05/81/1077620581.db2.gz MWPNVVLQNHDLFE-NGWCSTFBSA-N 0 3 424.545 2.630 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000791981201 1077621666 /nfs/dbraw/zinc/62/16/66/1077621666.db2.gz CFQPBKIOGBLPBB-UGKGYDQZSA-N 0 3 402.498 2.619 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)nc1 ZINC000792104785 1077698266 /nfs/dbraw/zinc/69/82/66/1077698266.db2.gz UUIPQXJEATWNFL-IBGZPJMESA-N 0 3 418.538 2.684 20 0 HFADHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)NC1(C(N)=O)CC1 ZINC000792173413 1077734274 /nfs/dbraw/zinc/73/42/74/1077734274.db2.gz HHDLURMRAPTBFR-CYBMUJFWSA-N 0 3 415.515 2.916 20 0 HFADHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792216730 1077770079 /nfs/dbraw/zinc/77/00/79/1077770079.db2.gz XJPLDISVXIOUCX-CALCHBBNSA-N 0 3 420.554 2.977 20 0 HFADHN O=C(NC[C@@H](O)c1ccccc1F)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792278501 1077772648 /nfs/dbraw/zinc/77/26/48/1077772648.db2.gz ZOTNFGFGCKXVAI-MQBCKMQZSA-N 0 3 403.420 2.964 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(CC[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000792332796 1077822097 /nfs/dbraw/zinc/82/20/97/1077822097.db2.gz WUVJBYNAEPYBIM-KRWDZBQOSA-N 0 3 400.585 2.924 20 0 HFADHN CN(C(=O)c1ccc(NCc2cc(Br)nn2C)cc1)[C@@H]1CCCN(C)C1 ZINC000789889456 1077838056 /nfs/dbraw/zinc/83/80/56/1077838056.db2.gz GZGWPVZPZPOGFL-MRXNPFEDSA-N 0 3 420.355 2.961 20 0 HFADHN COC(=O)c1ccc(N(C(=N)N)c2ccc(N3CCOCC3)cc2)c2cccnc12 ZINC001170167258 1077876734 /nfs/dbraw/zinc/87/67/34/1077876734.db2.gz XOYZCBDHQURSQN-UHFFFAOYSA-N 0 3 405.458 2.890 20 0 HFADHN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1cc(C(N)=O)ccc1OC(F)(F)F ZINC001170169298 1077891657 /nfs/dbraw/zinc/89/16/57/1077891657.db2.gz HWHALCZIAONPLH-UHFFFAOYSA-N 0 3 423.395 2.552 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000790017655 1077914830 /nfs/dbraw/zinc/91/48/30/1077914830.db2.gz SSCCUWOBBOLILT-KRWDZBQOSA-N 0 3 411.568 2.626 20 0 HFADHN O=c1[nH]nc(C2CCN([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)o1 ZINC001170245655 1077916261 /nfs/dbraw/zinc/91/62/61/1077916261.db2.gz XTSBABKGFRZLPX-HNNXBMFYSA-N 0 3 408.405 2.752 20 0 HFADHN CC[C@@H]1C[C@@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227964 1077917781 /nfs/dbraw/zinc/91/77/81/1077917781.db2.gz RAUZTBHXOIVDEF-RBUKOAKNSA-N 0 3 403.548 2.889 20 0 HFADHN C[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790027943 1077919192 /nfs/dbraw/zinc/91/91/92/1077919192.db2.gz WHLUGQTZXATBFO-YJBOKZPZSA-N 0 3 411.568 2.672 20 0 HFADHN O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000746875402 1077932890 /nfs/dbraw/zinc/93/28/90/1077932890.db2.gz TWONCEAAHPIGGF-UHFFFAOYSA-N 0 3 423.554 2.793 20 0 HFADHN O=C(CNC(=O)[C@@]1(O)CCCN(Cc2ccccc2)C1)c1cccc(F)c1Cl ZINC001170279251 1077935474 /nfs/dbraw/zinc/93/54/74/1077935474.db2.gz WCCDMIUOTNYFRU-OAQYLSRUSA-N 0 3 404.869 2.805 20 0 HFADHN C[C@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@@H](CN2CCN(C)CC2)C1 ZINC001170281271 1077936843 /nfs/dbraw/zinc/93/68/43/1077936843.db2.gz CMPRSQPWNUQCFB-RTBURBONSA-N 0 3 401.986 2.847 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1)N1CCCCC1 ZINC000790141023 1077955349 /nfs/dbraw/zinc/95/53/49/1077955349.db2.gz ZOFYUYDCRFLTJT-HNNXBMFYSA-N 0 3 424.383 2.834 20 0 HFADHN CCCN(CN1C[C@@]2(CN3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362377 1078004718 /nfs/dbraw/zinc/00/47/18/1078004718.db2.gz KZFZLPHHXUGXDS-XMSQKQJNSA-N 0 3 422.570 2.582 20 0 HFADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2CC(C)(C)C)C1=O ZINC000747087328 1078005276 /nfs/dbraw/zinc/00/52/76/1078005276.db2.gz RNMOZUJUSQKKRE-VGSWGCGISA-N 0 3 400.523 2.776 20 0 HFADHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792867213 1078011781 /nfs/dbraw/zinc/01/17/81/1078011781.db2.gz MLHXFWNFNBYHCP-RCCFBDPRSA-N 0 3 400.585 2.923 20 0 HFADHN Cc1nc2ccccc2n1C[C@H]1CCCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790364617 1078014741 /nfs/dbraw/zinc/01/47/41/1078014741.db2.gz AQYMGBDZKNCSIS-AUSIDOKSSA-N 0 3 409.534 2.683 20 0 HFADHN C[C@@H]1CC[C@@H](N2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135114 1078021782 /nfs/dbraw/zinc/02/17/82/1078021782.db2.gz GLGGZWOAVLKXDT-SIZVQLJJSA-N 0 3 404.580 2.598 20 0 HFADHN COc1ccc(C(=O)C2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000792945113 1078023398 /nfs/dbraw/zinc/02/33/98/1078023398.db2.gz VCIQCOJCPDZUQS-GOSISDBHSA-N 0 3 406.523 2.866 20 0 HFADHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000792925335 1078027153 /nfs/dbraw/zinc/02/71/53/1078027153.db2.gz JHJKDMGQHWLERH-UHFFFAOYSA-N 0 3 415.563 2.966 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1cccc(OC)c1 ZINC000792949031 1078032717 /nfs/dbraw/zinc/03/27/17/1078032717.db2.gz ONJJBCREYCRMCS-INIZCTEOSA-N 0 3 404.898 2.881 20 0 HFADHN COC(=O)c1c2cnn(CN3CC[C@H](c4nccn4C)C3)c2ccc1Br ZINC000790443631 1078033577 /nfs/dbraw/zinc/03/35/77/1078033577.db2.gz YOCHMBZJEKOFPJ-LBPRGKRZSA-N 0 3 418.295 2.766 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1C1CC1 ZINC000792988552 1078041665 /nfs/dbraw/zinc/04/16/65/1078041665.db2.gz FCIDNFLJCSEHFM-HOJAQTOUSA-N 0 3 414.550 2.960 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000790483486 1078041830 /nfs/dbraw/zinc/04/18/30/1078041830.db2.gz GRFOSADHZMHTMP-SVMVAKDDSA-N 0 3 402.539 2.629 20 0 HFADHN COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000792990174 1078042293 /nfs/dbraw/zinc/04/22/93/1078042293.db2.gz QEAPOAOHVHUYGV-FYYLOGMGSA-N 0 3 424.545 2.708 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000806307691 1079559724 /nfs/dbraw/zinc/55/97/24/1079559724.db2.gz HFMPHZCRIRQGBI-PMACEKPBSA-N 0 3 404.555 2.812 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000806309397 1079564072 /nfs/dbraw/zinc/56/40/72/1079564072.db2.gz FBOZWUWSVDPPPQ-UXHICEINSA-N 0 3 402.539 2.961 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325888 1079594767 /nfs/dbraw/zinc/59/47/67/1079594767.db2.gz QXULJQJGFYFOTG-UXHICEINSA-N 0 3 403.486 2.527 20 0 HFADHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c12 ZINC000747325555 1079598184 /nfs/dbraw/zinc/59/81/84/1079598184.db2.gz NBYZBFJHEGISPU-GJZGRUSLSA-N 0 3 411.531 2.598 20 0 HFADHN C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)c1cccc(NS(C)(=O)=O)c1 ZINC000806472818 1079704094 /nfs/dbraw/zinc/70/40/94/1079704094.db2.gz MSSZMBCRMDNHIK-INIZCTEOSA-N 0 3 422.551 2.876 20 0 HFADHN Cc1noc(C)c1CCCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000806483294 1079768327 /nfs/dbraw/zinc/76/83/27/1079768327.db2.gz CIFHKNMBSTXCHT-UHFFFAOYSA-N 0 3 404.555 2.503 20 0 HFADHN CC(=O)NCC[C@@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000806597219 1079839745 /nfs/dbraw/zinc/83/97/45/1079839745.db2.gz FVJIVYOKZPFVHR-FQEVSTJZSA-N 0 3 402.608 2.764 20 0 HFADHN COc1cccc(CN2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001137530957 1079853888 /nfs/dbraw/zinc/85/38/88/1079853888.db2.gz HGFQOGAXLRHEFS-QFIPXVFZSA-N 0 3 400.523 2.810 20 0 HFADHN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001130707217 1079877685 /nfs/dbraw/zinc/87/76/85/1079877685.db2.gz OEWRARQNMMBHJA-UHFFFAOYSA-N 0 3 406.939 2.618 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341322 1079878663 /nfs/dbraw/zinc/87/86/63/1079878663.db2.gz FLLXIEAKPZAPQL-PWRODBHTSA-N 0 3 421.541 2.671 20 0 HFADHN Cc1cc(I)cc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000806684175 1079912360 /nfs/dbraw/zinc/91/23/60/1079912360.db2.gz RPVCOTYZZDVPQB-GJZGRUSLSA-N 0 3 415.275 2.584 20 0 HFADHN CN(C)CCN1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1=O ZINC001130707557 1079927581 /nfs/dbraw/zinc/92/75/81/1079927581.db2.gz YJMFKLRSJFIXRF-OAQYLSRUSA-N 0 3 415.534 2.892 20 0 HFADHN COc1cccc(OCCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001130732706 1079969901 /nfs/dbraw/zinc/96/99/01/1079969901.db2.gz BBLPISLTHZSYNQ-DHIUTWEWSA-N 0 3 410.514 2.966 20 0 HFADHN Cc1ccc2nc(C(=O)Nc3ccc(OCCCN4CCN(C)CC4)cc3)cn2c1 ZINC001130741720 1080004677 /nfs/dbraw/zinc/00/46/77/1080004677.db2.gz CEZKGJZKSCEFHD-UHFFFAOYSA-N 0 3 407.518 2.911 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3ncnc4ccsc43)cc2)CC1 ZINC001130742090 1080005220 /nfs/dbraw/zinc/00/52/20/1080005220.db2.gz IDCDBJWHRSNWSQ-UHFFFAOYSA-N 0 3 411.531 2.960 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000806815150 1080027764 /nfs/dbraw/zinc/02/77/64/1080027764.db2.gz BACKSCGRJIEDBN-HXUWFJFHSA-N 0 3 402.539 2.991 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000806920260 1080089364 /nfs/dbraw/zinc/08/93/64/1080089364.db2.gz UGUYRVMXPJQSNN-QHCPKHFHSA-N 0 3 411.546 2.739 20 0 HFADHN CC(C)OCCN1CCC(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806902975 1080110230 /nfs/dbraw/zinc/11/02/30/1080110230.db2.gz KTQGNGBBTZREHJ-SFHVURJKSA-N 0 3 417.472 2.927 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000806953774 1080163884 /nfs/dbraw/zinc/16/38/84/1080163884.db2.gz JNHGAPCYADPTEQ-ALKREAHSSA-N 0 3 413.440 2.786 20 0 HFADHN O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000807092454 1080272299 /nfs/dbraw/zinc/27/22/99/1080272299.db2.gz VPZJSQTZUIDAML-VXKWHMMOSA-N 0 3 413.562 2.747 20 0 HFADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCC12OCCO2 ZINC000807102869 1080281887 /nfs/dbraw/zinc/28/18/87/1080281887.db2.gz VYDWQRRJUHCPHL-KRWDZBQOSA-N 0 3 411.340 2.883 20 0 HFADHN CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807129348 1080295588 /nfs/dbraw/zinc/29/55/88/1080295588.db2.gz CVERVXUBWUTWAS-IEBWSBKVSA-N 0 3 406.527 2.607 20 0 HFADHN CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000807149720 1080306299 /nfs/dbraw/zinc/30/62/99/1080306299.db2.gz GTSBEZNKVIUEDW-JXFKEZNVSA-N 0 3 420.554 2.854 20 0 HFADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cnc(C3OCCO3)s2)C1 ZINC000807225654 1080385431 /nfs/dbraw/zinc/38/54/31/1080385431.db2.gz HHTXIWJNKXQUTM-UHFFFAOYSA-N 0 3 403.504 2.570 20 0 HFADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1nc(Br)sc1C1CC1 ZINC000807265317 1080417594 /nfs/dbraw/zinc/41/75/94/1080417594.db2.gz YJQRXMITNDYLSG-NSHDSACASA-N 0 3 401.374 2.539 20 0 HFADHN CN(CCCN(C)C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)Cc1ccco1 ZINC000807413805 1080612401 /nfs/dbraw/zinc/61/24/01/1080612401.db2.gz WHIRFUIGERDKIL-UHFFFAOYSA-N 0 3 419.350 2.894 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000807557970 1080809210 /nfs/dbraw/zinc/80/92/10/1080809210.db2.gz OWCZAFGLVJRHDY-MUUNZHRXSA-N 0 3 401.576 2.881 20 0 HFADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc(S(C)(=O)=O)s1 ZINC001206857649 1126159920 /nfs/dbraw/zinc/15/99/20/1126159920.db2.gz XCQBANXWGLVTMI-INIZCTEOSA-N 0 3 418.378 2.997 20 0 HFADHN C[C@](CO)(Cc1ccc(F)cc1)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC001473839897 1126200069 /nfs/dbraw/zinc/20/00/69/1126200069.db2.gz MDKZAHRWTOMYJM-LJQANCHMSA-N 0 3 420.282 2.679 20 0 HFADHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1OC ZINC001560184282 1126209775 /nfs/dbraw/zinc/20/97/75/1126209775.db2.gz JMWNJVKQSNANLP-HSZRJFAPSA-N 0 3 413.470 2.908 20 0 HFADHN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164389829 718822721 /nfs/dbraw/zinc/82/27/21/718822721.db2.gz JTYATNNMCMCZMU-WCQYABFASA-N 0 3 405.232 2.928 20 0 HFADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3NCCO[C@H]3C2)n1 ZINC001164389854 718825404 /nfs/dbraw/zinc/82/54/04/718825404.db2.gz JYWSOFKHKPZILV-MSOLQXFVSA-N 0 3 409.559 2.987 20 0 HFADHN c1cncc(OCc2nnn3c2CN(c2ncccc2CN2CCCC2)CCC3)c1 ZINC001164652770 719328014 /nfs/dbraw/zinc/32/80/14/719328014.db2.gz FQYKDACZMFIIRB-UHFFFAOYSA-N 0 3 405.506 2.653 20 0 HFADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCN(CC(C)C)CC2)cc1 ZINC001164652317 719330041 /nfs/dbraw/zinc/33/00/41/719330041.db2.gz KMPICVKPNAVQOR-UHFFFAOYSA-N 0 3 413.547 2.755 20 0 HFADHN CN(Cc1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727612 720503092 /nfs/dbraw/zinc/50/30/92/720503092.db2.gz NOYXLQAYKTWENL-OFNKIYASSA-N 0 3 407.518 2.695 20 0 HFADHN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736485 720576396 /nfs/dbraw/zinc/57/63/96/720576396.db2.gz LLFSOQIBLPWARX-UHFFFAOYSA-N 0 3 414.913 2.819 20 0 HFADHN CSc1nc2ccsc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738456 720684233 /nfs/dbraw/zinc/68/42/33/720684233.db2.gz JVDZUPPROAUPRS-OLZOCXBDSA-N 0 3 400.533 2.545 20 0 HFADHN Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164745511 720802125 /nfs/dbraw/zinc/80/21/25/720802125.db2.gz KQUUANLJUXOCEE-IAGOWNOFSA-N 0 3 406.465 2.723 20 0 HFADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164879823 721139162 /nfs/dbraw/zinc/13/91/62/721139162.db2.gz UHOBTLXOCTTXPL-WOJBJXKFSA-N 0 3 402.502 2.722 20 0 HFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CCN3C2)c1 ZINC001164875413 721167215 /nfs/dbraw/zinc/16/72/15/721167215.db2.gz LMWKWDNDHGKGAC-LEWJYISDSA-N 0 3 408.550 2.732 20 0 HFADHN COc1ccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164762001 721194894 /nfs/dbraw/zinc/19/48/94/721194894.db2.gz BQMJJUMUGOMARE-WOJBJXKFSA-N 0 3 404.518 2.844 20 0 HFADHN COc1cc2cnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)cc2cc1OC ZINC001164768284 721211127 /nfs/dbraw/zinc/21/11/27/721211127.db2.gz KTLMBUKOWLTPOF-YLJYHZDGSA-N 0 3 407.518 2.944 20 0 HFADHN CC(C)c1noc(-c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2)n1 ZINC001164773823 721223128 /nfs/dbraw/zinc/22/31/28/721223128.db2.gz XFGKEVMIBUPZMX-OALUTQOASA-N 0 3 407.522 2.947 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)cn1 ZINC001164761904 721229776 /nfs/dbraw/zinc/22/97/76/721229776.db2.gz JZWGFWJBJBENGD-RBUKOAKNSA-N 0 3 414.517 2.507 20 0 HFADHN CN(Cc1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768142 721276789 /nfs/dbraw/zinc/27/67/89/721276789.db2.gz KMXWTDVZCLVRON-LJQANCHMSA-N 0 3 404.518 2.983 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164887498 721339460 /nfs/dbraw/zinc/33/94/60/721339460.db2.gz UZVJPLOKGCXHGD-DYESRHJHSA-N 0 3 407.942 2.558 20 0 HFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885685 721381694 /nfs/dbraw/zinc/38/16/94/721381694.db2.gz CZCXHNIVHHZKEX-JLTOFOAXSA-N 0 3 422.936 2.516 20 0 HFADHN c1cncc(NCc2nnn3c2CN(c2ncccc2CN2CCCC2)CCC3)c1 ZINC001164789775 721475553 /nfs/dbraw/zinc/47/55/53/721475553.db2.gz CGLHGIGEFMNHME-UHFFFAOYSA-N 0 3 404.522 2.686 20 0 HFADHN Cc1nc(N2CCCC2)cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164808993 721530726 /nfs/dbraw/zinc/53/07/26/721530726.db2.gz SXOWWFDOUQVAFW-JTAQYXEDSA-N 0 3 408.550 2.648 20 0 HFADHN COC(=O)c1cc(F)c(C)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909736 721533698 /nfs/dbraw/zinc/53/36/98/721533698.db2.gz RRZAGRBUQHEWNI-WBVHZDCISA-N 0 3 403.429 2.797 20 0 HFADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)c1 ZINC001164905858 721542569 /nfs/dbraw/zinc/54/25/69/721542569.db2.gz JHSDSLQICDTWEJ-IEBWSBKVSA-N 0 3 415.465 2.748 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCNC3)[C@@H]2CCCO[C@H]12 ZINC001164807857 721572864 /nfs/dbraw/zinc/57/28/64/721572864.db2.gz TYBNYANGLWEXNT-UZKOGDIHSA-N 0 3 413.953 2.644 20 0 HFADHN FC1(F)CCN(c2ccc(-n3ccnc3)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907351 721714591 /nfs/dbraw/zinc/71/45/91/721714591.db2.gz RCQNMTUPDKEZIB-FQEVSTJZSA-N 0 3 411.460 2.795 20 0 HFADHN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164921131 721836633 /nfs/dbraw/zinc/83/66/33/721836633.db2.gz BWKKSUMTVBUNPK-OFNKIYASSA-N 0 3 408.550 2.732 20 0 HFADHN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1N1CCCC1 ZINC001164958212 722051917 /nfs/dbraw/zinc/05/19/17/722051917.db2.gz DWCLCZHJMAYAQB-UHFFFAOYSA-N 0 3 422.577 2.899 20 0 HFADHN CC(=O)Nc1c(C)ccnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961640 722058986 /nfs/dbraw/zinc/05/89/86/722058986.db2.gz NMJRISUMRISXRB-UHFFFAOYSA-N 0 3 409.534 2.862 20 0 HFADHN FC(F)(c1ccnc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983372 722098498 /nfs/dbraw/zinc/09/84/98/722098498.db2.gz PQSRZOJAVWISHN-HOTGVXAUSA-N 0 3 409.868 2.797 20 0 HFADHN Cc1cc(N2CCCC2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981581 722098803 /nfs/dbraw/zinc/09/88/03/722098803.db2.gz LTHSWMALDKLMKV-LEWJYISDSA-N 0 3 408.550 2.508 20 0 HFADHN CCOC(=O)c1ccc(C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977255 722098951 /nfs/dbraw/zinc/09/89/51/722098951.db2.gz FKGVRFONTDBLIA-PZJWPPBQSA-N 0 3 410.518 2.689 20 0 HFADHN FC(F)(c1cnc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985880 722105612 /nfs/dbraw/zinc/10/56/12/722105612.db2.gz XJVYRSQUZYOIPP-RDJZCZTQSA-N 0 3 409.868 2.797 20 0 HFADHN COC(=O)c1cc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983358 722106176 /nfs/dbraw/zinc/10/61/76/722106176.db2.gz PQMPOTMKZQIIAY-QFBILLFUSA-N 0 3 416.909 2.644 20 0 HFADHN F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972483 722118383 /nfs/dbraw/zinc/11/83/83/722118383.db2.gz FRHWDUZJBQCDHZ-POAQFYNOSA-N 0 3 406.889 2.985 20 0 HFADHN FC(F)(c1cnnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973053 722119177 /nfs/dbraw/zinc/11/91/77/722119177.db2.gz GGRDSGXETQJFII-DOTOQJQBSA-N 0 3 409.868 2.797 20 0 HFADHN CCOC(=O)c1c(C)ccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984653 722132322 /nfs/dbraw/zinc/13/23/22/722132322.db2.gz YFWOFKIYGAJMTI-VQTJNVASSA-N 0 3 410.518 2.689 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984211 722147488 /nfs/dbraw/zinc/14/74/88/722147488.db2.gz WLDCBTKMNKCRPI-FYYLOGMGSA-N 0 3 416.529 2.969 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3C2)c1 ZINC001164977089 722149797 /nfs/dbraw/zinc/14/97/97/722149797.db2.gz IRLHXPLUGVWHGZ-VXKWHMMOSA-N 0 3 422.577 2.979 20 0 HFADHN O=C(Nc1cccnc1)c1noc2c1CN(c1ncccc1CN1CCCC1)CC2 ZINC001165001675 722248165 /nfs/dbraw/zinc/24/81/65/722248165.db2.gz RYGUGOQXPGMVRZ-UHFFFAOYSA-N 0 3 404.474 2.875 20 0 HFADHN CN(Cc1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1)C1CC1 ZINC001165001800 722249856 /nfs/dbraw/zinc/24/98/56/722249856.db2.gz VHKIZZPXZJBKRF-QHCPKHFHSA-N 0 3 410.518 2.780 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000790599053 1078063995 /nfs/dbraw/zinc/06/39/95/1078063995.db2.gz RMXUHPKRDBOWHE-QZTJIDSGSA-N 0 3 403.523 2.946 20 0 HFADHN C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)CN1Cc1ccccc1 ZINC000793093633 1078067571 /nfs/dbraw/zinc/06/75/71/1078067571.db2.gz SZBDGQYGJSDHPJ-LPHOPBHVSA-N 0 3 402.926 2.902 20 0 HFADHN CN(C(=O)c1ccc(NC(=O)C(F)(F)C2CCOCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000790668221 1078084553 /nfs/dbraw/zinc/08/45/53/1078084553.db2.gz CBQDNIINBUKGNX-GOSISDBHSA-N 0 3 409.477 2.853 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)CN1C1CC1 ZINC000790761876 1078113402 /nfs/dbraw/zinc/11/34/02/1078113402.db2.gz YUEQBTXUAIFQDC-RKDXNWHRSA-N 0 3 403.118 2.962 20 0 HFADHN CSC[C@H](COC(=O)c1ccc2cncn2c1)OC(=O)c1ccc2cncn2c1 ZINC000793303548 1078122911 /nfs/dbraw/zinc/12/29/11/1078122911.db2.gz ITIOFOHKOSGSET-SFHVURJKSA-N 0 3 410.455 2.727 20 0 HFADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790801008 1078139080 /nfs/dbraw/zinc/13/90/80/1078139080.db2.gz SIXMPUYMLVCROI-TZIWHRDSSA-N 0 3 416.485 2.857 20 0 HFADHN CS[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@H]1N(C)C ZINC000790823939 1078157200 /nfs/dbraw/zinc/15/72/00/1078157200.db2.gz GQJHGTDBFJOEFH-NXEZZACHSA-N 0 3 423.174 2.724 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513302 1078195473 /nfs/dbraw/zinc/19/54/73/1078195473.db2.gz BCJMQJXORQJBCG-LAUBAEHRSA-N 0 3 413.493 2.915 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514432 1078196702 /nfs/dbraw/zinc/19/67/02/1078196702.db2.gz CVAWFIOCISTDEO-MSOLQXFVSA-N 0 3 403.523 2.671 20 0 HFADHN COC(=O)CCn1nc(C)c(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1C ZINC000793603604 1078222212 /nfs/dbraw/zinc/22/22/12/1078222212.db2.gz CIPWSJORAZMRCE-QFIPXVFZSA-N 0 3 420.554 2.896 20 0 HFADHN CCn1c(CN[C@@H]2CCC[C@H]2OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC001170435457 1078225399 /nfs/dbraw/zinc/22/53/99/1078225399.db2.gz PHYGUOXLPLDWPC-YLJYHZDGSA-N 0 3 420.579 2.888 20 0 HFADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793629668 1078233274 /nfs/dbraw/zinc/23/32/74/1078233274.db2.gz JOXXPOARPDUSQU-AVRDEDQJSA-N 0 3 411.546 2.629 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000793635956 1078236238 /nfs/dbraw/zinc/23/62/38/1078236238.db2.gz JFTBBPQCDMVNKB-XXBNENTESA-N 0 3 423.557 2.946 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000793635955 1078236244 /nfs/dbraw/zinc/23/62/44/1078236244.db2.gz JFTBBPQCDMVNKB-WMZHIEFXSA-N 0 3 423.557 2.946 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000793651423 1078241493 /nfs/dbraw/zinc/24/14/93/1078241493.db2.gz MTNKVNZSYXACOU-MHECFPHRSA-N 0 3 409.530 2.527 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000793651427 1078241507 /nfs/dbraw/zinc/24/15/07/1078241507.db2.gz MTNKVNZSYXACOU-UUOWRZLLSA-N 0 3 409.530 2.527 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001170436377 1078248864 /nfs/dbraw/zinc/24/88/64/1078248864.db2.gz HZBVAHSDOZDGFG-GOSISDBHSA-N 0 3 421.501 2.860 20 0 HFADHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000793709692 1078260218 /nfs/dbraw/zinc/26/02/18/1078260218.db2.gz PEWRLZXZRIFLHP-TYPHKJRUSA-N 0 3 401.551 2.570 20 0 HFADHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793710790 1078260617 /nfs/dbraw/zinc/26/06/17/1078260617.db2.gz UMFZLRUXWIGZEH-FXAWDEMLSA-N 0 3 411.550 2.710 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)N1CCCCC1 ZINC000793694811 1078271150 /nfs/dbraw/zinc/27/11/50/1078271150.db2.gz BNNMOLQZKSHIEU-DLBZAZTESA-N 0 3 418.607 2.719 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)N1CCCCC1 ZINC000793700924 1078273823 /nfs/dbraw/zinc/27/38/23/1078273823.db2.gz NBAZCIYKTQWQCM-FDYSRKEFSA-N 0 3 416.566 2.646 20 0 HFADHN C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000793706364 1078276383 /nfs/dbraw/zinc/27/63/83/1078276383.db2.gz CABCOOVTJNZSPM-LSDHHAIUSA-N 0 3 415.456 2.796 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cc1Cl)N1CCCCC1 ZINC000793708293 1078277326 /nfs/dbraw/zinc/27/73/26/1078277326.db2.gz MSAVBOYAGVONRP-GFCCVEGCSA-N 0 3 416.747 2.709 20 0 HFADHN COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)NC[C@H](C)N4CCCCC4)CC3)c2c1 ZINC000793708084 1078277335 /nfs/dbraw/zinc/27/73/35/1078277335.db2.gz IFMMDQIEZUHKQE-KRWDZBQOSA-N 0 3 424.545 2.783 20 0 HFADHN Cc1ccc([C@H](C)NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 ZINC000793846424 1078313193 /nfs/dbraw/zinc/31/31/93/1078313193.db2.gz FQLWVLKTEKEXOU-JKSUJKDBSA-N 0 3 400.548 2.971 20 0 HFADHN COCC1(C(=O)NCCN2CCCC(C)(C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793971433 1078349769 /nfs/dbraw/zinc/34/97/69/1078349769.db2.gz NMSYUOXAKQJOTE-UHFFFAOYSA-N 0 3 411.587 2.888 20 0 HFADHN COCC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793973130 1078349990 /nfs/dbraw/zinc/34/99/90/1078349990.db2.gz ZIHBFAIGMHFYBI-SFHVURJKSA-N 0 3 409.571 2.783 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001170441706 1078356715 /nfs/dbraw/zinc/35/67/15/1078356715.db2.gz JTHDDWKLXRANKV-MZKRTTBSSA-N 0 3 413.518 2.883 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc4nccnc4c3)cc2)CC1 ZINC000794136754 1078377087 /nfs/dbraw/zinc/37/70/87/1078377087.db2.gz PYRCSROPBQRSDB-UHFFFAOYSA-N 0 3 419.485 2.567 20 0 HFADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NC3CC(N4CCCCC4)C3)C[C@@H](C1)C2=O ZINC000794209857 1078393658 /nfs/dbraw/zinc/39/36/58/1078393658.db2.gz MREJZLLGSJXBHQ-IWTAKMAVSA-N 0 3 419.566 2.582 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000794326253 1078414813 /nfs/dbraw/zinc/41/48/13/1078414813.db2.gz DHWUAMBYSUVKAV-INIZCTEOSA-N 0 3 417.510 2.587 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330421 1078416055 /nfs/dbraw/zinc/41/60/55/1078416055.db2.gz VZCNNIQSZYRIEC-JKSUJKDBSA-N 0 3 401.548 2.593 20 0 HFADHN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794338466 1078419508 /nfs/dbraw/zinc/41/95/08/1078419508.db2.gz GAFUXSSHDNRGCW-NRFANRHFSA-N 0 3 406.527 2.822 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000794341966 1078420153 /nfs/dbraw/zinc/42/01/53/1078420153.db2.gz BUSMXTBGOYLGTK-UHFFFAOYSA-N 0 3 406.527 2.774 20 0 HFADHN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794344892 1078420950 /nfs/dbraw/zinc/42/09/50/1078420950.db2.gz POELYCIQDXIFLZ-NRFANRHFSA-N 0 3 406.527 2.680 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000794346862 1078421506 /nfs/dbraw/zinc/42/15/06/1078421506.db2.gz XIJSYQWMNKSWMH-UHFFFAOYSA-N 0 3 418.538 2.776 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000794383736 1078432685 /nfs/dbraw/zinc/43/26/85/1078432685.db2.gz PMHANTNPYSUJRX-RBUKOAKNSA-N 0 3 405.539 2.547 20 0 HFADHN CN(C)CCn1nccc1NC(=O)c1cc(Br)ncc1Br ZINC001129434290 1078463285 /nfs/dbraw/zinc/46/32/85/1078463285.db2.gz KGYAMAATFREIHR-UHFFFAOYSA-N 0 3 417.105 2.617 20 0 HFADHN Cc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)N2CCCC2)cc1 ZINC000747188316 1078468564 /nfs/dbraw/zinc/46/85/64/1078468564.db2.gz HDZRBDKOILERIW-RXVVDRJESA-N 0 3 419.529 2.587 20 0 HFADHN COCCCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)C1CCN(C)CC1 ZINC001129487731 1078507980 /nfs/dbraw/zinc/50/79/80/1078507980.db2.gz KMKCXKJAXFJBAZ-BGYRXZFFSA-N 0 3 417.550 2.651 20 0 HFADHN COCCCN(C(=O)c1nc(C(C)C)ncc1Br)C1CCN(C)CC1 ZINC001129599650 1078573795 /nfs/dbraw/zinc/57/37/95/1078573795.db2.gz HPKSJIBLNURAQY-UHFFFAOYSA-N 0 3 413.360 2.935 20 0 HFADHN O=C(N1CCC[C@H](n2ccnn2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001129933252 1078598557 /nfs/dbraw/zinc/59/85/57/1078598557.db2.gz QZLJJUZQCZGYOH-PKOBYXMFSA-N 0 3 407.440 2.896 20 0 HFADHN Cc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)N2CCCC2)cc1 ZINC000747216897 1078659786 /nfs/dbraw/zinc/65/97/86/1078659786.db2.gz CIDCYMMTQQQPFX-IBGZPJMESA-N 0 3 421.950 2.863 20 0 HFADHN CC[C@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)c1nc(C)cs1 ZINC000804886550 1078715383 /nfs/dbraw/zinc/71/53/83/1078715383.db2.gz OTYPFEZCLFALNK-SFHVURJKSA-N 0 3 402.564 2.652 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)cc1 ZINC000804949606 1078778122 /nfs/dbraw/zinc/77/81/22/1078778122.db2.gz UOVOTPOYSAHFOH-DEOSSOPVSA-N 0 3 424.589 2.919 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000804976616 1078811811 /nfs/dbraw/zinc/81/18/11/1078811811.db2.gz HTTQBLKDZAZAGE-OGWOLHLISA-N 0 3 413.440 2.959 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000805070266 1078879526 /nfs/dbraw/zinc/87/95/26/1078879526.db2.gz IPPVKOQWLWFCCE-QAPCUYQASA-N 0 3 401.429 2.735 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000805119038 1078902377 /nfs/dbraw/zinc/90/23/77/1078902377.db2.gz HFJPTVCRRBZNRD-LPHOPBHVSA-N 0 3 413.440 2.788 20 0 HFADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137839 1078934404 /nfs/dbraw/zinc/93/44/04/1078934404.db2.gz JYFBDOSMBSWOSY-GCJKJVERSA-N 0 3 424.586 2.530 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231060 1078944713 /nfs/dbraw/zinc/94/47/13/1078944713.db2.gz DXXSMHIEONZCBX-TZIWHRDSSA-N 0 3 406.486 2.506 20 0 HFADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC(c3cccc(F)c3)CC2)CC1 ZINC000805157920 1078950710 /nfs/dbraw/zinc/95/07/10/1078950710.db2.gz XBNUJDGGMGBTBE-UHFFFAOYSA-N 0 3 419.541 2.537 20 0 HFADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236376 1078993736 /nfs/dbraw/zinc/99/37/36/1078993736.db2.gz LYWXUHFXRYPOAI-SJORKVTESA-N 0 3 408.424 2.793 20 0 HFADHN C[C@H](CO)N(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CCCC1 ZINC000805752150 1079231123 /nfs/dbraw/zinc/23/11/23/1079231123.db2.gz ZLQKBIVYCNJBMA-QGZVFWFLSA-N 0 3 413.518 2.798 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000805794995 1079259617 /nfs/dbraw/zinc/25/96/17/1079259617.db2.gz DIGVQWLAPFOBNG-NRFANRHFSA-N 0 3 420.554 2.574 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000805765446 1079266029 /nfs/dbraw/zinc/26/60/29/1079266029.db2.gz LSDWBXUPUQIQDO-INIZCTEOSA-N 0 3 408.543 2.620 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)CN(C)CC(F)(F)Br)cc2)CC1 ZINC000805838140 1079277250 /nfs/dbraw/zinc/27/72/50/1079277250.db2.gz LTQOFOOJZNPGNU-UHFFFAOYSA-N 0 3 419.314 2.687 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000805940796 1079343676 /nfs/dbraw/zinc/34/36/76/1079343676.db2.gz CNABHOLNDKYTDC-WMZHIEFXSA-N 0 3 423.557 2.595 20 0 HFADHN Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@H](C)N(C)Cc3ccccc3)CC2)cc1 ZINC000805940945 1079344339 /nfs/dbraw/zinc/34/43/39/1079344339.db2.gz IMWXCSGCUYAYHO-NRFANRHFSA-N 0 3 422.573 2.670 20 0 HFADHN Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1Cl ZINC000747291870 1079390753 /nfs/dbraw/zinc/39/07/53/1079390753.db2.gz WXVLWXLKESDIRE-LJQANCHMSA-N 0 3 408.955 2.750 20 0 HFADHN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC001130518917 1079450299 /nfs/dbraw/zinc/45/02/99/1079450299.db2.gz QUXKGSZDGKDRNA-OKZBNKHCSA-N 0 3 409.571 2.830 20 0 HFADHN CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001130529664 1079465829 /nfs/dbraw/zinc/46/58/29/1079465829.db2.gz XIVSETQPSDXLFR-UXHICEINSA-N 0 3 402.535 2.858 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)CC1 ZINC000806152398 1079468895 /nfs/dbraw/zinc/46/88/95/1079468895.db2.gz AUSXQLRHQOLODI-FQEVSTJZSA-N 0 3 417.554 2.913 20 0 HFADHN CC(C)[C@H](N[C@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163873 1079473822 /nfs/dbraw/zinc/47/38/22/1079473822.db2.gz WIUDZXPTAJXLNK-KXBFYZLASA-N 0 3 402.930 2.533 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787332494 1076745393 /nfs/dbraw/zinc/74/53/93/1076745393.db2.gz LNDJXQIMLBDQKC-ZIFCJYIRSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000787323193 1076767047 /nfs/dbraw/zinc/76/70/47/1076767047.db2.gz ARYNJTNROFFFOW-LMMKCTJWSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674493 1076890052 /nfs/dbraw/zinc/89/00/52/1076890052.db2.gz HRILGBLJYYYGTJ-ZIAGYGMSSA-N 0 3 401.429 2.611 20 0 HFADHN C[C@@H](OC(=O)C1CCN(c2ccc(F)cc2)C1=O)c1nnnn1C1CCCCC1 ZINC000787661578 1076902947 /nfs/dbraw/zinc/90/29/47/1076902947.db2.gz GSDZPRIDKVAZAA-DYVFJYSZSA-N 0 3 401.442 2.975 20 0 HFADHN CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000787877340 1076972194 /nfs/dbraw/zinc/97/21/94/1076972194.db2.gz XANKQBAGVRCHAD-OALUTQOASA-N 0 3 403.567 2.902 20 0 HFADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995972 1077023056 /nfs/dbraw/zinc/02/30/56/1077023056.db2.gz PFIGDOWCBGOJKB-IEBWSBKVSA-N 0 3 408.502 2.690 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742949 1077114893 /nfs/dbraw/zinc/11/48/93/1077114893.db2.gz ATJMEXGJWNORGU-GJZGRUSLSA-N 0 3 401.442 2.738 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744760 1077125828 /nfs/dbraw/zinc/12/58/28/1077125828.db2.gz WRAMMJDOOKTCMA-QZTJIDSGSA-N 0 3 400.454 2.784 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000788422470 1077141042 /nfs/dbraw/zinc/14/10/42/1077141042.db2.gz WOCRWKPQHOJHED-QGZVFWFLSA-N 0 3 402.438 2.779 20 0 HFADHN O=C(NCCSC(F)(F)F)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000788558990 1077201229 /nfs/dbraw/zinc/20/12/29/1077201229.db2.gz XONHZZSQHZAWCF-UHFFFAOYSA-N 0 3 417.497 2.523 20 0 HFADHN CC(=O)Nc1ccc(CN[C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607612 1077222499 /nfs/dbraw/zinc/22/24/99/1077222499.db2.gz WCTCZNWCVQRNKX-OXJNMPFZSA-N 0 3 412.490 2.556 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788675704 1077246347 /nfs/dbraw/zinc/24/63/47/1077246347.db2.gz HOUPRFGDQXPVSI-QGZVFWFLSA-N 0 3 411.568 2.816 20 0 HFADHN CCOC(=O)C1([C@@H](C)NCc2cnn(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788685410 1077250232 /nfs/dbraw/zinc/25/02/32/1077250232.db2.gz INSCBTKEFFBNEZ-MRXNPFEDSA-N 0 3 408.543 2.787 20 0 HFADHN C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000788658151 1077255325 /nfs/dbraw/zinc/25/53/25/1077255325.db2.gz UDMDYIQLQOXMDW-HZPDHXFCSA-N 0 3 411.568 2.767 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)c1Cl ZINC000788657667 1077255693 /nfs/dbraw/zinc/25/56/93/1077255693.db2.gz JJBDMDYZEFUAHP-NSHDSACASA-N 0 3 408.973 2.847 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@H](C)[C@@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662389 1077257674 /nfs/dbraw/zinc/25/76/74/1077257674.db2.gz CUKITOQLRIWYAN-NKGKWGDASA-N 0 3 410.486 2.778 20 0 HFADHN CCOC1CC(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000788780653 1077299768 /nfs/dbraw/zinc/29/97/68/1077299768.db2.gz CXUNBLQPJJVBFK-MWXLCCTBSA-N 0 3 400.567 2.647 20 0 HFADHN C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)N(C)Cc1ccccc1 ZINC000788787821 1077304166 /nfs/dbraw/zinc/30/41/66/1077304166.db2.gz SURQQXDDCFGHNP-UGKGYDQZSA-N 0 3 408.546 2.949 20 0 HFADHN CC(C)(C)[S@](=O)CCNCc1ccc(Br)cc1N1CCOCC1 ZINC000788962161 1077364214 /nfs/dbraw/zinc/36/42/14/1077364214.db2.gz GUOORNDOTSKKAC-HSZRJFAPSA-N 0 3 403.386 2.923 20 0 HFADHN CN(C(=O)Cc1cccnc1Br)C1CCN(CCc2ccccn2)CC1 ZINC000791345862 1077381105 /nfs/dbraw/zinc/38/11/05/1077381105.db2.gz SSVMSNNZXSLVHS-UHFFFAOYSA-N 0 3 417.351 2.947 20 0 HFADHN CCOC1CC(CC(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000789158477 1077437880 /nfs/dbraw/zinc/43/78/80/1077437880.db2.gz FTXVVSXPDMFQHG-UHFFFAOYSA-N 0 3 402.535 2.778 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)NCC3(N4CCSCC4)CCCC3)C2)c1 ZINC000791511524 1077451066 /nfs/dbraw/zinc/45/10/66/1077451066.db2.gz YAPBBQUPUNFSCR-IBGZPJMESA-N 0 3 403.548 2.666 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3C[C@H](N(C)C)Cc4ccccc43)C2)c1 ZINC000791584052 1077472045 /nfs/dbraw/zinc/47/20/45/1077472045.db2.gz MOCXVQUQKYBDDW-OPAMFIHVSA-N 0 3 409.486 2.716 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)C2)c1 ZINC000791641817 1077506195 /nfs/dbraw/zinc/50/61/95/1077506195.db2.gz LBDZZSJZFPLPAO-MBSDFSHPSA-N 0 3 423.513 2.930 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000791707676 1077521759 /nfs/dbraw/zinc/52/17/59/1077521759.db2.gz YCMPTOQLKWLDHB-YTJPUZGESA-N 0 3 423.513 2.834 20 0 HFADHN CCOc1cn(-c2ccccc2)nc1C(=O)OCCCN1CCN(C(C)C)CC1 ZINC000791841529 1077580937 /nfs/dbraw/zinc/58/09/37/1077580937.db2.gz FUXVECYEMFRWMJ-UHFFFAOYSA-N 0 3 400.523 2.844 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000791979799 1077621245 /nfs/dbraw/zinc/62/12/45/1077621245.db2.gz ABIGACQXAUMAJT-FPOVZHCZSA-N 0 3 402.498 2.848 20 0 HFADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000792235177 1077757875 /nfs/dbraw/zinc/75/78/75/1077757875.db2.gz LRKCAFVMGJYWCZ-AWEZNQCLSA-N 0 3 415.925 2.553 20 0 HFADHN CSC(C)(C)CNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000792241374 1077761406 /nfs/dbraw/zinc/76/14/06/1077761406.db2.gz MGKIHTPSZLIHCQ-UHFFFAOYSA-N 0 3 406.596 2.722 20 0 HFADHN CCCCO[C@H]1C[C@@H](NCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119158 1077770528 /nfs/dbraw/zinc/77/05/28/1077770528.db2.gz VBTNEKMMCCHSKO-MSOLQXFVSA-N 0 3 420.506 2.772 20 0 HFADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000792347389 1077810400 /nfs/dbraw/zinc/81/04/00/1077810400.db2.gz KGKKLSSSPVYCFR-QGZVFWFLSA-N 0 3 409.534 2.764 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000789807901 1077819430 /nfs/dbraw/zinc/81/94/30/1077819430.db2.gz QNRNTZKBQMAHFD-LJQANCHMSA-N 0 3 415.534 2.839 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@H](CN2CCCC2)c2ccccc2)=NO1 ZINC000789954679 1077866876 /nfs/dbraw/zinc/86/68/76/1077866876.db2.gz MZMRNKUMHKRHOU-IEBWSBKVSA-N 0 3 416.522 2.609 20 0 HFADHN COc1ccc(C=O)c(OCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792545050 1077898671 /nfs/dbraw/zinc/89/86/71/1077898671.db2.gz XIGPHDIKEUXNCL-UHFFFAOYSA-N 0 3 414.424 2.808 20 0 HFADHN COc1cc(C=O)ccc1OCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792553932 1077900963 /nfs/dbraw/zinc/90/09/63/1077900963.db2.gz CPYVFTFWVQWKKA-UHFFFAOYSA-N 0 3 414.424 2.808 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](C)C1 ZINC000790031160 1077903781 /nfs/dbraw/zinc/90/37/81/1077903781.db2.gz FHYUWJQBHBMCJT-WOJBJXKFSA-N 0 3 414.594 2.572 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790037034 1077906994 /nfs/dbraw/zinc/90/69/94/1077906994.db2.gz CDYHMMFPDMPCEF-GOSISDBHSA-N 0 3 423.579 2.911 20 0 HFADHN CN1CC(CNc2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ncn(C)c32)C1 ZINC001170258220 1077920308 /nfs/dbraw/zinc/92/03/08/1077920308.db2.gz GZIOSVOTUJOJCS-UHFFFAOYSA-N 0 3 407.396 2.596 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(F)c(Br)c1 ZINC000790048349 1077928419 /nfs/dbraw/zinc/92/84/19/1077928419.db2.gz FCIDYMRILWDNBJ-UHFFFAOYSA-N 0 3 420.304 2.731 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001170349964 1077955568 /nfs/dbraw/zinc/95/55/68/1077955568.db2.gz VSTOJBHBYKDSBJ-ROUUACIJSA-N 0 3 407.555 2.536 20 0 HFADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400319 1077965010 /nfs/dbraw/zinc/96/50/10/1077965010.db2.gz SJDAPCWGMJPZOM-COLVAYQJSA-N 0 3 402.276 2.879 20 0 HFADHN CC(C)(C)OC(=O)N1CCC(N(C2CC2)[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000790313719 1077994643 /nfs/dbraw/zinc/99/46/43/1077994643.db2.gz BBJPLJVMWJNULJ-LJQANCHMSA-N 0 3 407.555 2.630 20 0 HFADHN CCCN(CN1C[C@@]2(CN3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362375 1078004918 /nfs/dbraw/zinc/00/49/18/1078004918.db2.gz KZFZLPHHXUGXDS-PGRDOPGGSA-N 0 3 422.570 2.582 20 0 HFADHN CCOc1ccccc1CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747089368 1078012033 /nfs/dbraw/zinc/01/20/33/1078012033.db2.gz ALBHYJJHVOYYEQ-SFHVURJKSA-N 0 3 405.539 2.938 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000792880771 1078016632 /nfs/dbraw/zinc/01/66/32/1078016632.db2.gz VAXSYZZMXJHAKA-NHCUHLMSSA-N 0 3 419.566 2.503 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000792943558 1078022815 /nfs/dbraw/zinc/02/28/15/1078022815.db2.gz MZSLCHFPQOKKLT-CQSZACIVSA-N 0 3 400.903 2.867 20 0 HFADHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1cccc(OC)c1 ZINC000792949034 1078032777 /nfs/dbraw/zinc/03/27/77/1078032777.db2.gz ONJJBCREYCRMCS-MRXNPFEDSA-N 0 3 404.898 2.881 20 0 HFADHN Cc1ccc(C(=O)NC2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)s1 ZINC000792963119 1078036898 /nfs/dbraw/zinc/03/68/98/1078036898.db2.gz VTYGLRIHGDFLTG-MRXNPFEDSA-N 0 3 411.568 2.526 20 0 HFADHN O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1)OCc1ccccc1 ZINC000792984990 1078040870 /nfs/dbraw/zinc/04/08/70/1078040870.db2.gz MCPGOEWMJMCYQC-MOPGFXCFSA-N 0 3 400.523 2.571 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000806254062 1079522238 /nfs/dbraw/zinc/52/22/38/1079522238.db2.gz QKBQOKIKVURGES-NRFANRHFSA-N 0 3 414.594 2.839 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000806254049 1079522299 /nfs/dbraw/zinc/52/22/99/1079522299.db2.gz YLSTUEXFDXOKIQ-LEWJYISDSA-N 0 3 401.551 2.651 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000806254293 1079523813 /nfs/dbraw/zinc/52/38/13/1079523813.db2.gz UGPWKBULNMZLQJ-HNNXBMFYSA-N 0 3 414.319 2.585 20 0 HFADHN O=C(NCc1ccc(Cl)nc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000747311212 1079544568 /nfs/dbraw/zinc/54/45/68/1079544568.db2.gz HVMOCOTZTVQITL-UHFFFAOYSA-N 0 3 418.950 2.581 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000806307327 1079560268 /nfs/dbraw/zinc/56/02/68/1079560268.db2.gz BUEZZCWJIRERSC-WOJBJXKFSA-N 0 3 404.555 2.860 20 0 HFADHN CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350515 1079623251 /nfs/dbraw/zinc/62/32/51/1079623251.db2.gz MXZPBMQPLVHDCX-AZUAARDMSA-N 0 3 420.554 2.998 20 0 HFADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)no1 ZINC001130610891 1079630532 /nfs/dbraw/zinc/63/05/32/1079630532.db2.gz WSUCSERJOFBDLF-HRAATJIYSA-N 0 3 416.547 2.824 20 0 HFADHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473478 1079704375 /nfs/dbraw/zinc/70/43/75/1079704375.db2.gz RBDLNGAOFFPUKB-AUUYWEPGSA-N 0 3 422.526 2.860 20 0 HFADHN CN(C)C[C@@H](NC(=O)NCc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1 ZINC000806505817 1079756768 /nfs/dbraw/zinc/75/67/68/1079756768.db2.gz ZBBAXXZATWKBHD-LJQANCHMSA-N 0 3 400.454 2.884 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000747341999 1079873862 /nfs/dbraw/zinc/87/38/62/1079873862.db2.gz JIVMWTSEYNLECZ-QZNHQXDQSA-N 0 3 404.514 2.973 20 0 HFADHN Cc1ccc(-c2cc(C(=O)N3CCN(CCN(C)C)C(=O)C3)c3ccccc3n2)o1 ZINC001130706812 1079877742 /nfs/dbraw/zinc/87/77/42/1079877742.db2.gz CXQAZCOSMFHMPS-UHFFFAOYSA-N 0 3 406.486 2.649 20 0 HFADHN CC(=O)Nc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001130733063 1079971431 /nfs/dbraw/zinc/97/14/31/1079971431.db2.gz IIRFNBQUPOGJMM-PKTZIBPZSA-N 0 3 407.514 2.689 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000806811945 1080025558 /nfs/dbraw/zinc/02/55/58/1080025558.db2.gz YVRKBVNURJKWQJ-VQTJNVASSA-N 0 3 402.539 2.961 20 0 HFADHN Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000747358856 1080052906 /nfs/dbraw/zinc/05/29/06/1080052906.db2.gz DCBOMPUHGOOFQH-UHFFFAOYSA-N 0 3 411.550 2.946 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)N1CCCCC1 ZINC000806856386 1080060482 /nfs/dbraw/zinc/06/04/82/1080060482.db2.gz FOUCRWXRANCCQR-GFCCVEGCSA-N 0 3 403.857 2.913 20 0 HFADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c(F)cc1Br ZINC000806857194 1080061703 /nfs/dbraw/zinc/06/17/03/1080061703.db2.gz NRYPTZMRARLFKM-LBPRGKRZSA-N 0 3 400.292 2.826 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077286 1080258761 /nfs/dbraw/zinc/25/87/61/1080258761.db2.gz FPMLDSGBYZUDQL-IABZKBCVSA-N 0 3 405.539 2.919 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000747376694 1080370761 /nfs/dbraw/zinc/37/07/61/1080370761.db2.gz VUZFZWBIWBDJBA-UHFFFAOYSA-N 0 3 417.575 2.912 20 0 HFADHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC001130895328 1080431038 /nfs/dbraw/zinc/43/10/38/1080431038.db2.gz MMMTXTPIUYIFLJ-CQSZACIVSA-N 0 3 415.987 2.972 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000807334086 1080533372 /nfs/dbraw/zinc/53/33/72/1080533372.db2.gz JRFFRHKJUTXPLT-UHFFFAOYSA-N 0 3 418.607 2.821 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000807334461 1080535230 /nfs/dbraw/zinc/53/52/30/1080535230.db2.gz ORKRUZKXHVSTBH-MUUNZHRXSA-N 0 3 419.469 2.587 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000807400830 1080596598 /nfs/dbraw/zinc/59/65/98/1080596598.db2.gz FOAHBJIIJADXMV-XUWXXGDYSA-N 0 3 401.429 2.815 20 0 HFADHN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)[C@H](c1ccccc1)N(C)C ZINC000807402720 1080597832 /nfs/dbraw/zinc/59/78/32/1080597832.db2.gz LJSPOTSRSFKUMO-XFIJJGBISA-N 0 3 401.507 2.805 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441172 1080661788 /nfs/dbraw/zinc/66/17/88/1080661788.db2.gz BPWKLJDVJLRPOS-JKSUJKDBSA-N 0 3 407.584 2.917 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1)c1ccco1 ZINC000807441703 1080663268 /nfs/dbraw/zinc/66/32/68/1080663268.db2.gz NDIXLIHPQUGVSC-MLHJIOFPSA-N 0 3 405.495 2.836 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000807558325 1080808956 /nfs/dbraw/zinc/80/89/56/1080808956.db2.gz AJPYQGUTQHKFMM-IBGZPJMESA-N 0 3 416.953 2.932 20 0 HFADHN CN(C)Cc1cnc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001461634933 1126195441 /nfs/dbraw/zinc/19/54/41/1126195441.db2.gz SNFJUQPRYZENQU-GOSISDBHSA-N 0 3 410.381 2.977 20 0 HFADHN Cn1cc(-c2cc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)on2)cn1 ZINC001559998309 1126207264 /nfs/dbraw/zinc/20/72/64/1126207264.db2.gz ZUDYNBLQJNFLKJ-IBGZPJMESA-N 0 3 417.307 2.847 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)CC2)CC1 ZINC001164618864 719035055 /nfs/dbraw/zinc/03/50/55/719035055.db2.gz ZIVYYNFOSRPCOQ-UHFFFAOYSA-N 0 3 417.884 2.762 20 0 HFADHN CC(C)CN1CCN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001164653437 719334984 /nfs/dbraw/zinc/33/49/84/719334984.db2.gz CMUJRFTUFFOJSQ-UHFFFAOYSA-N 0 3 421.589 2.818 20 0 HFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727606 720503140 /nfs/dbraw/zinc/50/31/40/720503140.db2.gz NOYXLQAYKTWENL-NZQKXSOJSA-N 0 3 407.518 2.695 20 0 HFADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738134 720629809 /nfs/dbraw/zinc/62/98/09/720629809.db2.gz AJKUNXLIIJFRLD-UONOGXRCSA-N 0 3 400.845 2.554 20 0 HFADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738996 720667775 /nfs/dbraw/zinc/66/77/75/720667775.db2.gz LWMCPIZPCJNOPM-QWHCGFSZSA-N 0 3 400.845 2.554 20 0 HFADHN CSc1nc2ccsc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738454 720686210 /nfs/dbraw/zinc/68/62/10/720686210.db2.gz JVDZUPPROAUPRS-CHWSQXEVSA-N 0 3 400.533 2.545 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc21 ZINC001164737118 720691381 /nfs/dbraw/zinc/69/13/81/720691381.db2.gz DMOYOSFNLLVTNT-DLBZAZTESA-N 0 3 419.485 2.543 20 0 HFADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741500 720750450 /nfs/dbraw/zinc/75/04/50/720750450.db2.gz MRVWXMIDTUCESH-LSDHHAIUSA-N 0 3 413.913 2.798 20 0 HFADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164739305 720757972 /nfs/dbraw/zinc/75/79/72/720757972.db2.gz IDEYOISCGKFOPK-LSDHHAIUSA-N 0 3 408.531 2.620 20 0 HFADHN CCOc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738629 720780694 /nfs/dbraw/zinc/78/06/94/720780694.db2.gz GMPPSIQQIJOTSH-ICSRJNTNSA-N 0 3 418.501 2.674 20 0 HFADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738237 720781453 /nfs/dbraw/zinc/78/14/53/720781453.db2.gz FGZVOCSWLKDDHZ-HUUCEWRRSA-N 0 3 410.428 2.554 20 0 HFADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)ncn1)[C@H]2C ZINC001164858086 721014130 /nfs/dbraw/zinc/01/41/30/721014130.db2.gz GBNZYRBOJKXWJQ-INIZCTEOSA-N 0 3 401.584 2.648 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164869072 721053476 /nfs/dbraw/zinc/05/34/76/721053476.db2.gz RHWBJPBBVITXTL-SJORKVTESA-N 0 3 416.909 2.786 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CSCC2 ZINC001164866310 721056821 /nfs/dbraw/zinc/05/68/21/721056821.db2.gz DVIBEAZVDBTLFF-HOTGVXAUSA-N 0 3 417.966 2.794 20 0 HFADHN COc1ccc2nc(Cl)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762489 721072819 /nfs/dbraw/zinc/07/28/19/721072819.db2.gz FDGWUQQNEMPXKX-CVEARBPZSA-N 0 3 412.925 2.984 20 0 HFADHN COCc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164766590 721081741 /nfs/dbraw/zinc/08/17/41/721081741.db2.gz KWQUWFHSYIQQHF-RTWAWAEBSA-N 0 3 418.545 2.982 20 0 HFADHN CSc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164865689 721082646 /nfs/dbraw/zinc/08/26/46/721082646.db2.gz OHJXBGZDEBHIJD-ZWKOTPCHSA-N 0 3 411.575 2.952 20 0 HFADHN c1ccc(COc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864030 721086224 /nfs/dbraw/zinc/08/62/24/721086224.db2.gz DNPNUIGTRIOHJE-FGZHOGPDSA-N 0 3 417.513 2.930 20 0 HFADHN COc1cccc2c1nc(Cl)nc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762082 721128549 /nfs/dbraw/zinc/12/85/49/721128549.db2.gz BVIQFHWHFLTZHA-CVEARBPZSA-N 0 3 412.925 2.984 20 0 HFADHN COc1cccc2nc(Cl)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c21 ZINC001164761662 721145802 /nfs/dbraw/zinc/14/58/02/721145802.db2.gz ACUAETIEKLXFAS-HZPDHXFCSA-N 0 3 412.925 2.984 20 0 HFADHN CC1CCN(c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164877649 721147897 /nfs/dbraw/zinc/14/78/97/721147897.db2.gz POKVEQCTTURBDF-LEWJYISDSA-N 0 3 408.550 2.588 20 0 HFADHN COc1cc2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164763455 721155138 /nfs/dbraw/zinc/15/51/38/721155138.db2.gz GBQPUVBUEDHUGR-RBUKOAKNSA-N 0 3 407.518 2.944 20 0 HFADHN Fc1cccc(-c2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876453 721157684 /nfs/dbraw/zinc/15/76/84/721157684.db2.gz MNKKMEVTEWSMAJ-PMACEKPBSA-N 0 3 406.465 2.552 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(C)nc2c1 ZINC001164880457 721161453 /nfs/dbraw/zinc/16/14/53/721161453.db2.gz WTTDJFYPSNXOEF-UYAOXDASSA-N 0 3 405.502 2.822 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)cn1 ZINC001164761905 721228915 /nfs/dbraw/zinc/22/89/15/721228915.db2.gz JZWGFWJBJBENGD-RTBURBONSA-N 0 3 414.517 2.507 20 0 HFADHN Cc1nc(C)c(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)s1 ZINC001164761883 721229806 /nfs/dbraw/zinc/22/98/06/721229806.db2.gz JSAONBFECJYINF-QZTJIDSGSA-N 0 3 409.563 2.909 20 0 HFADHN O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C1 ZINC001164885916 721351272 /nfs/dbraw/zinc/35/12/72/721351272.db2.gz QUOULNZBBBQSTM-FCHUYYIVSA-N 0 3 406.530 2.655 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCC1 ZINC001164900323 721509739 /nfs/dbraw/zinc/50/97/39/721509739.db2.gz QDORNYYDWAHWKU-QUCCMNQESA-N 0 3 410.493 2.799 20 0 HFADHN Cc1nc(N2CCCC2)cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164808994 721530778 /nfs/dbraw/zinc/53/07/78/721530778.db2.gz SXOWWFDOUQVAFW-QTEQDKRBSA-N 0 3 408.550 2.648 20 0 HFADHN O=C(c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164907338 721545090 /nfs/dbraw/zinc/54/50/90/721545090.db2.gz MYPFDAVEZILAHJ-TZIWHRDSSA-N 0 3 410.493 2.799 20 0 HFADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164911299 721556208 /nfs/dbraw/zinc/55/62/08/721556208.db2.gz YSSCFUNVBRUZTM-UNMCSNQZSA-N 0 3 420.488 2.773 20 0 HFADHN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ccc(CN3CCCC3)cn2)C1 ZINC001164809220 721606441 /nfs/dbraw/zinc/60/64/41/721606441.db2.gz ZGUFWFRSOOHEIC-HSZRJFAPSA-N 0 3 408.550 2.520 20 0 HFADHN NC(=S)Nc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164909681 721731888 /nfs/dbraw/zinc/73/18/88/721731888.db2.gz CVFNNRQRUXBKOZ-LJQANCHMSA-N 0 3 418.517 2.870 20 0 HFADHN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001165010109 721739633 /nfs/dbraw/zinc/73/96/33/721739633.db2.gz ANFPMGRGERLDAR-UHFFFAOYSA-N 0 3 420.001 2.854 20 0 HFADHN F[C@H](Oc1cncc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966300 722061555 /nfs/dbraw/zinc/06/15/55/722061555.db2.gz QFTLIGZZLGYVTJ-IBGZPJMESA-N 0 3 421.904 2.772 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)c1 ZINC001164969493 722082496 /nfs/dbraw/zinc/08/24/96/722082496.db2.gz OQXNGCLIPXDHKA-RTWAWAEBSA-N 0 3 412.509 2.536 20 0 HFADHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978210 722099144 /nfs/dbraw/zinc/09/91/44/722099144.db2.gz GESKSEBFPUUXLC-SFTDATJTSA-N 0 3 408.550 2.508 20 0 HFADHN COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978292 722100104 /nfs/dbraw/zinc/10/01/04/722100104.db2.gz GOZVRHDNPUWSBB-VQIMIIECSA-N 0 3 416.909 2.644 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164983858 722139586 /nfs/dbraw/zinc/13/95/86/722139586.db2.gz VWLFFBHOFCWKLX-RTWAWAEBSA-N 0 3 408.550 2.589 20 0 HFADHN c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)nc1 ZINC001164983880 722147820 /nfs/dbraw/zinc/14/78/20/722147820.db2.gz VYKTVTDETINTRT-KNQAVFIVSA-N 0 3 402.502 2.661 20 0 HFADHN [O-][n+]1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001164976215 722157269 /nfs/dbraw/zinc/15/72/69/722157269.db2.gz UZTNZMUTTUAHGS-FUHWJXTLSA-N 0 3 424.879 2.641 20 0 HFADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164988263 722187724 /nfs/dbraw/zinc/18/77/24/722187724.db2.gz CYUZFCJJWBPIAY-FQEVSTJZSA-N 0 3 400.567 2.777 20 0 HFADHN O=C(OCc1ccccc1)N1CCC(NCCS(=O)(=O)c2ccccc2)CC1 ZINC000790469086 1078045296 /nfs/dbraw/zinc/04/52/96/1078045296.db2.gz LKCBPUBOAOLMHT-UHFFFAOYSA-N 0 3 402.516 2.851 20 0 HFADHN CCCN(CCNC(=O)N1CCN(c2ccncc2OC)CC1)C(=O)OC(C)(C)C ZINC000793018554 1078050467 /nfs/dbraw/zinc/05/04/67/1078050467.db2.gz CXTSCXKWPZCLHI-UHFFFAOYSA-N 0 3 421.542 2.569 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)nc1Br ZINC000793042545 1078054274 /nfs/dbraw/zinc/05/42/74/1078054274.db2.gz OEPNVCWWMZIJFU-CQSZACIVSA-N 0 3 409.328 2.568 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)Cn3ccc4ccccc4c3=O)CC2)c1 ZINC000790555826 1078055111 /nfs/dbraw/zinc/05/51/11/1078055111.db2.gz PQRFHVVNZJWJKL-UHFFFAOYSA-N 0 3 405.498 2.791 20 0 HFADHN C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H](c1ccccc1)N(C)C ZINC000793050288 1078056589 /nfs/dbraw/zinc/05/65/89/1078056589.db2.gz MDMPLHZAIMWLQV-LRDDRELGSA-N 0 3 405.296 2.590 20 0 HFADHN NC(=O)c1cccnc1COC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000793256266 1078111716 /nfs/dbraw/zinc/11/17/16/1078111716.db2.gz DLRRAYDGQKPSCR-LBPRGKRZSA-N 0 3 408.241 2.584 20 0 HFADHN C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790738242 1078120133 /nfs/dbraw/zinc/12/01/33/1078120133.db2.gz FOPKTADFFZMTPH-OFAXGOBFSA-N 0 3 411.521 2.806 20 0 HFADHN COc1cc([C@H](C)N[C@H](CO)C[C@@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570199 1078212154 /nfs/dbraw/zinc/21/21/54/1078212154.db2.gz PGMCPHGRJIXNML-DETPVDSQSA-N 0 3 409.495 2.500 20 0 HFADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793629670 1078233257 /nfs/dbraw/zinc/23/32/57/1078233257.db2.gz JOXXPOARPDUSQU-GCJKJVERSA-N 0 3 411.546 2.629 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000793715171 1078262399 /nfs/dbraw/zinc/26/23/99/1078262399.db2.gz SCCNPKJRUXZUMQ-LSDHHAIUSA-N 0 3 415.456 2.580 20 0 HFADHN COc1ccc(CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)[C@H](C)C2CC2)cc1 ZINC000793716163 1078262939 /nfs/dbraw/zinc/26/29/39/1078262939.db2.gz XKYOSKOSUNZOFR-ZWKOTPCHSA-N 0 3 401.551 2.813 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000793715506 1078262946 /nfs/dbraw/zinc/26/29/46/1078262946.db2.gz ZIQSQGPCZWJEQO-RDJZCZTQSA-N 0 3 400.548 2.950 20 0 HFADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793719989 1078264962 /nfs/dbraw/zinc/26/49/62/1078264962.db2.gz SPJWEXDVXOJIKV-JOCHJYFZSA-N 0 3 411.521 2.821 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)N1CCCCC1 ZINC000793694813 1078271341 /nfs/dbraw/zinc/27/13/41/1078271341.db2.gz BNNMOLQZKSHIEU-IAGOWNOFSA-N 0 3 418.607 2.719 20 0 HFADHN COc1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1OC1CCCC1 ZINC000793697662 1078272739 /nfs/dbraw/zinc/27/27/39/1078272739.db2.gz IQNIZSNFIRPFRR-KRWDZBQOSA-N 0 3 417.550 2.623 20 0 HFADHN Cc1ccc(C[C@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c2ccccn2)cc1 ZINC000793703069 1078274888 /nfs/dbraw/zinc/27/48/88/1078274888.db2.gz VXOFTQCQHKHKCA-UGKGYDQZSA-N 0 3 408.546 2.781 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1ccncc1)N1CCCCC1 ZINC000793705475 1078275475 /nfs/dbraw/zinc/27/54/75/1078275475.db2.gz DJMBAUUIKMZITF-HXUWFJFHSA-N 0 3 408.546 2.644 20 0 HFADHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccn1 ZINC000793705518 1078276707 /nfs/dbraw/zinc/27/67/07/1078276707.db2.gz DRLVAQQOWOBKFA-ZWKOTPCHSA-N 0 3 404.555 2.502 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)N1CCCCC1 ZINC000793706635 1078276855 /nfs/dbraw/zinc/27/68/55/1078276855.db2.gz CYMRJERCFLIRLL-MRXNPFEDSA-N 0 3 414.481 2.620 20 0 HFADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)NCC1CCCCCCC1 ZINC000793765598 1078282556 /nfs/dbraw/zinc/28/25/56/1078282556.db2.gz GSJNGPXBOLTMCH-UHFFFAOYSA-N 0 3 415.578 2.736 20 0 HFADHN CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000793783602 1078293792 /nfs/dbraw/zinc/29/37/92/1078293792.db2.gz KFBVFGIRPXYBPD-XUVXKRRUSA-N 0 3 403.592 2.976 20 0 HFADHN CSC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301124 /nfs/dbraw/zinc/30/11/24/1078301124.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 0 3 416.591 2.606 20 0 HFADHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 ZINC000793846418 1078313274 /nfs/dbraw/zinc/31/32/74/1078313274.db2.gz FQLWVLKTEKEXOU-CVEARBPZSA-N 0 3 400.548 2.971 20 0 HFADHN Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC000793855091 1078324478 /nfs/dbraw/zinc/32/44/78/1078324478.db2.gz XRZJVGCBIDMMBH-HKUYNNGSSA-N 0 3 415.559 2.641 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001170441707 1078356807 /nfs/dbraw/zinc/35/68/07/1078356807.db2.gz JTHDDWKLXRANKV-QTEQDKRBSA-N 0 3 413.518 2.883 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000794339776 1078419493 /nfs/dbraw/zinc/41/94/93/1078419493.db2.gz RIWBISSLYADHBY-UHFFFAOYSA-N 0 3 411.687 2.864 20 0 HFADHN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794338468 1078419535 /nfs/dbraw/zinc/41/95/35/1078419535.db2.gz GAFUXSSHDNRGCW-OAQYLSRUSA-N 0 3 406.527 2.822 20 0 HFADHN COc1cc(CCC(=O)Nc2ccnn2CCN(C)C)ccc1OCC(F)(F)F ZINC001129434214 1078463314 /nfs/dbraw/zinc/46/33/14/1078463314.db2.gz IPPJHZKNVDOLMV-UHFFFAOYSA-N 0 3 414.428 2.966 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001129505266 1078499059 /nfs/dbraw/zinc/49/90/59/1078499059.db2.gz CNVNNYSBJYGYPF-NVXWUHKLSA-N 0 3 401.457 2.954 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001129505646 1078499270 /nfs/dbraw/zinc/49/92/70/1078499270.db2.gz FIQKUVVUUBZSRB-OAHLLOKOSA-N 0 3 403.429 2.642 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804442489 1078509192 /nfs/dbraw/zinc/50/91/92/1078509192.db2.gz DAZSHOXDIPBOFM-SFTDATJTSA-N 0 3 424.545 2.913 20 0 HFADHN O=C(N1CCC[C@H](n2ccnn2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001129933248 1078598472 /nfs/dbraw/zinc/59/84/72/1078598472.db2.gz QZLJJUZQCZGYOH-HKUYNNGSSA-N 0 3 407.440 2.896 20 0 HFADHN Cc1ccc([C@H](CNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)N2CCCC2)cc1 ZINC000747216873 1078659780 /nfs/dbraw/zinc/65/97/80/1078659780.db2.gz AXZBWDLPNJKUCN-PXNSSMCTSA-N 0 3 424.467 2.822 20 0 HFADHN CC[C@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)N1CCc2ccccc2C1 ZINC000804908232 1078730847 /nfs/dbraw/zinc/73/08/47/1078730847.db2.gz JUBJRKJMHIWFBF-HXUWFJFHSA-N 0 3 402.539 2.601 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NCc2ccccc2CN2CCN(CC)CC2)cc1 ZINC000804949013 1078777833 /nfs/dbraw/zinc/77/78/33/1078777833.db2.gz GJOTVFGTMYKSKK-XMMPIXPASA-N 0 3 424.589 2.919 20 0 HFADHN CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130055257 1078841104 /nfs/dbraw/zinc/84/11/04/1078841104.db2.gz FDFRRQXZODXNMY-FQEVSTJZSA-N 0 3 419.529 2.693 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229010 1078887905 /nfs/dbraw/zinc/88/79/05/1078887905.db2.gz IHDDTOHVGMWPDN-VXGBXAGGSA-N 0 3 420.678 2.538 20 0 HFADHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000805075423 1078907342 /nfs/dbraw/zinc/90/73/42/1078907342.db2.gz XEDRFZPOOMLCSA-FPMFFAJLSA-N 0 3 400.292 2.812 20 0 HFADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137841 1078934331 /nfs/dbraw/zinc/93/43/31/1078934331.db2.gz JYFBDOSMBSWOSY-XMSQKQJNSA-N 0 3 424.586 2.530 20 0 HFADHN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C[C@H]3CCCN3C)c2)cc1 ZINC001130097833 1078948063 /nfs/dbraw/zinc/94/80/63/1078948063.db2.gz GNPBPCDKLHOPPQ-HXUWFJFHSA-N 0 3 415.559 2.986 20 0 HFADHN C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CCCN1Cc1ccccc1 ZINC000805199380 1078952689 /nfs/dbraw/zinc/95/26/89/1078952689.db2.gz ZAHJVUHNXHPXGT-YKSBVNFPSA-N 0 3 406.530 2.568 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000747232079 1078956504 /nfs/dbraw/zinc/95/65/04/1078956504.db2.gz QZQAAUHDJBMNHZ-VWPQPMDRSA-N 0 3 406.482 2.734 20 0 HFADHN COCCN1CCC(NC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805185098 1078965725 /nfs/dbraw/zinc/96/57/25/1078965725.db2.gz SAIOZMOUGZRYJQ-JOCHJYFZSA-N 0 3 424.586 2.530 20 0 HFADHN COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000805432264 1079061712 /nfs/dbraw/zinc/06/17/12/1079061712.db2.gz UZNFDKROFZRDBM-MRXNPFEDSA-N 0 3 404.507 2.531 20 0 HFADHN CS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000805542124 1079130962 /nfs/dbraw/zinc/13/09/62/1079130962.db2.gz GTHNDWFMKRMHAS-UHFFFAOYSA-N 0 3 403.500 2.922 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C[NH+]2CCCC2)c(Cl)cc1Cl ZINC000747249799 1079146734 /nfs/dbraw/zinc/14/67/34/1079146734.db2.gz YBZQWRKQEVFLRU-LLVKDONJSA-N 0 3 409.335 2.790 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)ccc1F ZINC000747256332 1079194738 /nfs/dbraw/zinc/19/47/38/1079194738.db2.gz KMRPBVHEOHBCRK-UHFFFAOYSA-N 0 3 420.506 2.803 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000747261850 1079197402 /nfs/dbraw/zinc/19/74/02/1079197402.db2.gz PKJQZLOZWJAOLS-UHFFFAOYSA-N 0 3 409.335 2.790 20 0 HFADHN CCN1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260257 1079212402 /nfs/dbraw/zinc/21/24/02/1079212402.db2.gz CXQBVLYQVMUDDE-LLVKDONJSA-N 0 3 409.335 2.790 20 0 HFADHN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260257 1079212409 /nfs/dbraw/zinc/21/24/09/1079212409.db2.gz CXQBVLYQVMUDDE-LLVKDONJSA-N 0 3 409.335 2.790 20 0 HFADHN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260257 1079212416 /nfs/dbraw/zinc/21/24/16/1079212416.db2.gz CXQBVLYQVMUDDE-LLVKDONJSA-N 0 3 409.335 2.790 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3c(F)ccc(C)c3N)cc2)CC1 ZINC000747269852 1079273727 /nfs/dbraw/zinc/27/37/27/1079273727.db2.gz BRFBMXQISMPJPC-UHFFFAOYSA-N 0 3 414.481 2.654 20 0 HFADHN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000772846186 1079429043 /nfs/dbraw/zinc/42/90/43/1079429043.db2.gz MLYZSAWQGKSSEY-NJAFHUGGSA-N 0 3 423.579 2.765 20 0 HFADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518225 1079449476 /nfs/dbraw/zinc/44/94/76/1079449476.db2.gz ILSABPOKXLRZIM-WOJBJXKFSA-N 0 3 405.564 2.608 20 0 HFADHN CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1(C)C ZINC001130542389 1079462805 /nfs/dbraw/zinc/46/28/05/1079462805.db2.gz UTQXZOMSOUYUTB-LEWJYISDSA-N 0 3 401.551 2.893 20 0 HFADHN CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000806174394 1079464188 /nfs/dbraw/zinc/46/41/88/1079464188.db2.gz WHLQGKKTBPUOBF-KXBFYZLASA-N 0 3 420.535 2.681 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)NC)c(C)c2)CC1 ZINC000806149426 1079467468 /nfs/dbraw/zinc/46/74/68/1079467468.db2.gz SICKGOLEQFVTTQ-IBGZPJMESA-N 0 3 417.554 2.879 20 0 HFADHN C[C@@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000806183570 1079477513 /nfs/dbraw/zinc/47/75/13/1079477513.db2.gz UQKKGLLMWAAVGN-AEFFLSMTSA-N 0 3 415.515 2.757 20 0 HFADHN CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806205932 1079492276 /nfs/dbraw/zinc/49/22/76/1079492276.db2.gz DLUIVCUTLWKQPN-UHFFFAOYSA-N 0 3 424.998 2.561 20 0 HFADHN CCOC(=O)C1=C(CN2C[C@@H](C)CC2(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000746673560 1076747734 /nfs/dbraw/zinc/74/77/34/1076747734.db2.gz CZSVZYYPAPITQK-LIRRHRJNSA-N 0 3 401.507 2.987 20 0 HFADHN CCOC(=O)C1C(CN2C[C@@H](C)CC2(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000746673560 1076747742 /nfs/dbraw/zinc/74/77/42/1076747742.db2.gz CZSVZYYPAPITQK-LIRRHRJNSA-N 0 3 401.507 2.987 20 0 HFADHN CCOC(=O)C1=C(CN2C[C@H](C)CC2(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673557 1076747900 /nfs/dbraw/zinc/74/79/00/1076747900.db2.gz CZSVZYYPAPITQK-AUUYWEPGSA-N 0 3 401.507 2.987 20 0 HFADHN CCOC(=O)C1C(CN2C[C@H](C)CC2(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673557 1076747910 /nfs/dbraw/zinc/74/79/10/1076747910.db2.gz CZSVZYYPAPITQK-AUUYWEPGSA-N 0 3 401.507 2.987 20 0 HFADHN CCOC(=O)C1=C(CN2C[C@H](C)CC2(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000746673559 1076747968 /nfs/dbraw/zinc/74/79/68/1076747968.db2.gz CZSVZYYPAPITQK-KUHUBIRLSA-N 0 3 401.507 2.987 20 0 HFADHN CCOC(=O)C1C(CN2C[C@H](C)CC2(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000746673559 1076747970 /nfs/dbraw/zinc/74/79/70/1076747970.db2.gz CZSVZYYPAPITQK-KUHUBIRLSA-N 0 3 401.507 2.987 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)[nH]n2)C1 ZINC000787313321 1076759025 /nfs/dbraw/zinc/75/90/25/1076759025.db2.gz AFGROPSXHGJQGZ-CVEARBPZSA-N 0 3 414.510 2.808 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326654 1076769346 /nfs/dbraw/zinc/76/93/46/1076769346.db2.gz QBTUGEYEIIGQKP-ROUUACIJSA-N 0 3 424.586 2.671 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@@H](N4CCCCC4)C3)n[nH]2)C1 ZINC000787337945 1076782661 /nfs/dbraw/zinc/78/26/61/1076782661.db2.gz USYDCCJTFNXDQB-DLBZAZTESA-N 0 3 417.554 2.835 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@@H](N4CCCCC4)C3)n[nH]2)C1 ZINC000787337948 1076782746 /nfs/dbraw/zinc/78/27/46/1076782746.db2.gz USYDCCJTFNXDQB-IAGOWNOFSA-N 0 3 417.554 2.835 20 0 HFADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787418046 1076799016 /nfs/dbraw/zinc/79/90/16/1076799016.db2.gz MYLVLRQGLFZWNB-BBWFWOEESA-N 0 3 417.554 2.833 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(COCc2ccco2)c1)N1CCCCC1 ZINC000787498865 1076826759 /nfs/dbraw/zinc/82/67/59/1076826759.db2.gz PSNHFPSWQNGOAQ-SFHVURJKSA-N 0 3 413.518 2.603 20 0 HFADHN CC(C)N1CCC[C@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529704 1076849749 /nfs/dbraw/zinc/84/97/49/1076849749.db2.gz KJNBZIXGLYTUFY-HOTGVXAUSA-N 0 3 405.543 2.737 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000787675118 1076889997 /nfs/dbraw/zinc/88/99/97/1076889997.db2.gz XBGMVPFNPZZLSH-PKOBYXMFSA-N 0 3 421.582 2.735 20 0 HFADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000787652258 1076898145 /nfs/dbraw/zinc/89/81/45/1076898145.db2.gz LRSNTMLQHBEDGM-QGZVFWFLSA-N 0 3 411.468 2.869 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767030 1076941056 /nfs/dbraw/zinc/94/10/56/1076941056.db2.gz YLSBNCYFIVHYPA-SFYKDHMMSA-N 0 3 418.534 2.741 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)cnc1Cl ZINC000787898805 1077004253 /nfs/dbraw/zinc/00/42/53/1077004253.db2.gz NZSRPOHQOFSRDQ-QGZVFWFLSA-N 0 3 415.925 2.890 20 0 HFADHN CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772712221 1077050299 /nfs/dbraw/zinc/05/02/99/1077050299.db2.gz WADZSCHGNDFINV-KRWDZBQOSA-N 0 3 403.523 2.702 20 0 HFADHN Cn1cc(N2CCC[C@@H](OC(=O)C3(C)CCN(Cc4ccccc4)CC3)C2=O)cn1 ZINC000772712205 1077050345 /nfs/dbraw/zinc/05/03/45/1077050345.db2.gz VRGVCZVEIYBABN-HXUWFJFHSA-N 0 3 410.518 2.761 20 0 HFADHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000746725651 1077055995 /nfs/dbraw/zinc/05/59/95/1077055995.db2.gz ZRTPRUKEGGDEGU-OAHLLOKOSA-N 0 3 422.327 2.867 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)O[C@H](C)C(=O)NCCc3ccncc3)cc2)CC1 ZINC000788135321 1077062278 /nfs/dbraw/zinc/06/22/78/1077062278.db2.gz MORTYBHHYSQSAK-LJQANCHMSA-N 0 3 424.545 2.516 20 0 HFADHN CN(CCCCO)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000788278648 1077096257 /nfs/dbraw/zinc/09/62/57/1077096257.db2.gz IXOBFUIGMWYEHF-UHFFFAOYSA-N 0 3 410.562 2.652 20 0 HFADHN CCN1CCN(C[C@H](C)CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746740078 1077100818 /nfs/dbraw/zinc/10/08/18/1077100818.db2.gz CLRZWUPJCDLVQA-OAHLLOKOSA-N 0 3 402.461 2.710 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]CCC[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000788480286 1077174579 /nfs/dbraw/zinc/17/45/79/1077174579.db2.gz HRTFGQDRUOXMKH-UHFFFAOYSA-N 0 3 408.973 2.897 20 0 HFADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788527285 1077202673 /nfs/dbraw/zinc/20/26/73/1077202673.db2.gz KSMVUVBFIPCCNV-UHFFFAOYSA-N 0 3 411.877 2.599 20 0 HFADHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788582037 1077212002 /nfs/dbraw/zinc/21/20/02/1077212002.db2.gz FDNGWADYWOAVRM-OAQYLSRUSA-N 0 3 417.575 2.506 20 0 HFADHN CC(=O)Nc1ccc(CN[C@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607617 1077222515 /nfs/dbraw/zinc/22/25/15/1077222515.db2.gz WCTCZNWCVQRNKX-UZLBHIALSA-N 0 3 412.490 2.556 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000788635950 1077240320 /nfs/dbraw/zinc/24/03/20/1077240320.db2.gz IZWUDRSHMCRWFM-UHFFFAOYSA-N 0 3 411.568 2.768 20 0 HFADHN CCN1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@H]1C ZINC000788635437 1077240980 /nfs/dbraw/zinc/24/09/80/1077240980.db2.gz YJAIYKAHGLQWID-PWSUYJOCSA-N 0 3 408.973 2.990 20 0 HFADHN Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(CN(C)C)cc3)C2=O)cc1 ZINC000788636568 1077241519 /nfs/dbraw/zinc/24/15/19/1077241519.db2.gz QTKXSASLWPVBTC-HXUWFJFHSA-N 0 3 401.532 2.531 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)N1CCCC[C@@H]1C ZINC000790905910 1077243937 /nfs/dbraw/zinc/24/39/37/1077243937.db2.gz AEXUDQLTFKAJAV-ZSYWTGECSA-N 0 3 416.566 2.618 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788676420 1077245993 /nfs/dbraw/zinc/24/59/93/1077245993.db2.gz UCYLRUNVHDCVNP-QAPCUYQASA-N 0 3 411.568 2.672 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cccc4c[nH]nc43)cc2)CC1 ZINC000746948984 1077248252 /nfs/dbraw/zinc/24/82/52/1077248252.db2.gz CPPZPWUVJVNNRG-UHFFFAOYSA-N 0 3 407.474 2.500 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788681873 1077249279 /nfs/dbraw/zinc/24/92/79/1077249279.db2.gz ZQRJIASIITYYHW-CRAIPNDOSA-N 0 3 411.568 2.672 20 0 HFADHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788681876 1077249302 /nfs/dbraw/zinc/24/93/02/1077249302.db2.gz ZQRJIASIITYYHW-YJBOKZPZSA-N 0 3 411.568 2.672 20 0 HFADHN CCN1CCN(C[C@H](C)CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788665002 1077259166 /nfs/dbraw/zinc/25/91/66/1077259166.db2.gz IJAPJAKQRGCKDX-CYBMUJFWSA-N 0 3 406.880 2.686 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)c(C)c1Cl ZINC000788667513 1077261026 /nfs/dbraw/zinc/26/10/26/1077261026.db2.gz FXBSIVWLEMRCQU-UHFFFAOYSA-N 0 3 408.973 2.897 20 0 HFADHN CCOC(=O)[C@H]1[C@@H](NCc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671716 1077262392 /nfs/dbraw/zinc/26/23/92/1077262392.db2.gz NHSOYQRHDFXHKA-PKOBYXMFSA-N 0 3 414.506 2.903 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000790975599 1077268131 /nfs/dbraw/zinc/26/81/31/1077268131.db2.gz RGRWNZVOYMUDEF-QGZVFWFLSA-N 0 3 408.493 2.740 20 0 HFADHN CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788820390 1077308137 /nfs/dbraw/zinc/30/81/37/1077308137.db2.gz OAHVDYSOJHNKKP-BHDDXSALSA-N 0 3 406.530 2.874 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148097 1077308558 /nfs/dbraw/zinc/30/85/58/1077308558.db2.gz ZXUFUUHSTGQQLF-IAGOWNOFSA-N 0 3 407.559 2.565 20 0 HFADHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000788914231 1077352062 /nfs/dbraw/zinc/35/20/62/1077352062.db2.gz BWDWKTVIYSVMFM-UHFFFAOYSA-N 0 3 401.960 2.538 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC000791343422 1077380348 /nfs/dbraw/zinc/38/03/48/1077380348.db2.gz KZYJLCVZOAHLAU-IBGZPJMESA-N 0 3 417.550 2.842 20 0 HFADHN C[C@H](OC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1nnnn1C1CC1 ZINC000791344891 1077380524 /nfs/dbraw/zinc/38/05/24/1077380524.db2.gz GIGMLHYNVHOORC-JOYOIKCWSA-N 0 3 410.261 2.972 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)N1CCCCC1 ZINC000746786677 1077407342 /nfs/dbraw/zinc/40/73/42/1077407342.db2.gz KLXLGJWUBGOCEJ-INIZCTEOSA-N 0 3 414.481 2.729 20 0 HFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3nc(Br)ccc3F)cc21 ZINC000791555643 1077477519 /nfs/dbraw/zinc/47/75/19/1077477519.db2.gz YXUJEVJOFUAJGP-UHFFFAOYSA-N 0 3 423.242 2.705 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000789307553 1077508066 /nfs/dbraw/zinc/50/80/66/1077508066.db2.gz WUKPBVSISPIOME-QFIPXVFZSA-N 0 3 420.509 2.943 20 0 HFADHN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1F ZINC000789386612 1077532534 /nfs/dbraw/zinc/53/25/34/1077532534.db2.gz CFAFAPRYOKGQLP-NSHDSACASA-N 0 3 400.292 2.826 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000791715558 1077536782 /nfs/dbraw/zinc/53/67/82/1077536782.db2.gz ADLDMJVKFNPTJX-UHFFFAOYSA-N 0 3 422.469 2.553 20 0 HFADHN C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000791717442 1077537396 /nfs/dbraw/zinc/53/73/96/1077537396.db2.gz YUTBZNYNGNGPLH-IMJJTQAJSA-N 0 3 401.429 2.957 20 0 HFADHN CC(C)[C@@H](C(=O)OCCCN1CCN(C(C)C)CC1)S(=O)(=O)C1CCCCC1 ZINC000791841534 1077580949 /nfs/dbraw/zinc/58/09/49/1077580949.db2.gz GBDWHAPKDTZPAM-FQEVSTJZSA-N 0 3 416.628 2.718 20 0 HFADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1ccc2ncccc2c1 ZINC000791883309 1077585461 /nfs/dbraw/zinc/58/54/61/1077585461.db2.gz HJPMOBZTGIRIIN-UHFFFAOYSA-N 0 3 422.533 2.697 20 0 HFADHN C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922694 1077612528 /nfs/dbraw/zinc/61/25/28/1077612528.db2.gz USMUKQFXFQWBCG-FZKQIMNGSA-N 0 3 408.428 2.640 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000791982244 1077621958 /nfs/dbraw/zinc/62/19/58/1077621958.db2.gz VBBBOAVMZNKQAX-YREZUPBBSA-N 0 3 424.545 2.630 20 0 HFADHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000746830272 1077673888 /nfs/dbraw/zinc/67/38/88/1077673888.db2.gz ZEATXAZMKVGZFF-GOSISDBHSA-N 0 3 418.582 2.553 20 0 HFADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000746839667 1077723905 /nfs/dbraw/zinc/72/39/05/1077723905.db2.gz FKVIIJLZRKOAMT-AWEZNQCLSA-N 0 3 420.510 2.598 20 0 HFADHN CC(C)(C)OC(=O)NC(C)(C)c1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000789767004 1077769020 /nfs/dbraw/zinc/76/90/20/1077769020.db2.gz DXTAEOFZLVHVJH-OAQYLSRUSA-N 0 3 402.495 2.923 20 0 HFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nc(Br)ccc1F ZINC000792285681 1077775589 /nfs/dbraw/zinc/77/55/89/1077775589.db2.gz OECXVFGNIROMHK-GOEBONIOSA-N 0 3 422.298 2.596 20 0 HFADHN CCC[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255298 1077781928 /nfs/dbraw/zinc/78/19/28/1077781928.db2.gz POVQECCHIRYQRF-QRVBRYPASA-N 0 3 404.551 2.744 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CC1)CCN([C@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000792334352 1077824055 /nfs/dbraw/zinc/82/40/55/1077824055.db2.gz XEEHBZPZOBBKLN-IBGZPJMESA-N 0 3 421.582 2.879 20 0 HFADHN CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883560 1077834683 /nfs/dbraw/zinc/83/46/83/1077834683.db2.gz AFXJKRIWKZIRHT-FGZHOGPDSA-N 0 3 406.530 2.553 20 0 HFADHN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000772795245 1077836074 /nfs/dbraw/zinc/83/60/74/1077836074.db2.gz QDJBVSQVRNAHJV-UXHICEINSA-N 0 3 423.340 2.952 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2nc3cccnc3s2)CC1 ZINC000792384615 1077848345 /nfs/dbraw/zinc/84/83/45/1077848345.db2.gz OWEQECIMNXBTEL-UHFFFAOYSA-N 0 3 424.526 2.891 20 0 HFADHN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000790007163 1077901474 /nfs/dbraw/zinc/90/14/74/1077901474.db2.gz OXTYPCAORKSOJT-HXUWFJFHSA-N 0 3 417.531 2.549 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031974 1077904722 /nfs/dbraw/zinc/90/47/22/1077904722.db2.gz FSHIGRVMFSYYAQ-NRFANRHFSA-N 0 3 414.594 2.716 20 0 HFADHN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218802 1077910275 /nfs/dbraw/zinc/91/02/75/1077910275.db2.gz VKLLCOSDTGJXME-TZIWHRDSSA-N 0 3 403.567 2.839 20 0 HFADHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000790009807 1077911757 /nfs/dbraw/zinc/91/17/57/1077911757.db2.gz HUAZXDNUZFQTSZ-HNNXBMFYSA-N 0 3 403.504 2.744 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790015039 1077914060 /nfs/dbraw/zinc/91/40/60/1077914060.db2.gz UBCASOWQUXKDNK-KRWDZBQOSA-N 0 3 411.568 2.674 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(OCC(F)(F)F)cc1 ZINC000790027817 1077918708 /nfs/dbraw/zinc/91/87/08/1077918708.db2.gz SPEBZNNXYDFNAL-UHFFFAOYSA-N 0 3 421.441 2.770 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc(Br)ccc1F ZINC000790048272 1077928891 /nfs/dbraw/zinc/92/88/91/1077928891.db2.gz CDBQWKCMLCJVNM-UHFFFAOYSA-N 0 3 420.304 2.731 20 0 HFADHN C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114380 1077942252 /nfs/dbraw/zinc/94/22/52/1077942252.db2.gz QAJNQMWSYTXDJV-HOCLYGCPSA-N 0 3 403.556 2.903 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001170349965 1077955585 /nfs/dbraw/zinc/95/55/85/1077955585.db2.gz VSTOJBHBYKDSBJ-ZWKOTPCHSA-N 0 3 407.555 2.536 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000790150462 1077965250 /nfs/dbraw/zinc/96/52/50/1077965250.db2.gz YFCSVOLOVONNSZ-UHFFFAOYSA-N 0 3 408.506 2.549 20 0 HFADHN CC(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401237 1077965307 /nfs/dbraw/zinc/96/53/07/1077965307.db2.gz ZIXSYVZXBXADJZ-LSDHHAIUSA-N 0 3 404.479 2.803 20 0 HFADHN CN([C@@H]1CCN(C2CCOCC2)C1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790320475 1077996575 /nfs/dbraw/zinc/99/65/75/1077996575.db2.gz RSPDXKJGWFGNCD-ZZJWQFMZSA-N 0 3 407.555 2.629 20 0 HFADHN CN(CN1C[C@]2(CN3CCC2CC3)OC1=O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000790382168 1078009475 /nfs/dbraw/zinc/00/94/75/1078009475.db2.gz FBEADMPVTAXYKX-ONTIZHBOSA-N 0 3 403.498 2.852 20 0 HFADHN C[C@@H]1OCC[C@@]12CN(Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407394 1078019788 /nfs/dbraw/zinc/01/97/88/1078019788.db2.gz RPMLETFEOMUGCB-BIENJYKASA-N 0 3 407.308 2.990 20 0 HFADHN O[C@H](C[C@@H]1COCCN1C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873464 1078021872 /nfs/dbraw/zinc/02/18/72/1078021872.db2.gz SYNLGAVHWFVIEJ-YPAWHYETSA-N 0 3 400.519 2.695 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2cn(-c3ccccc3)nn2)c1 ZINC000790419478 1078022339 /nfs/dbraw/zinc/02/23/39/1078022339.db2.gz BNZIYDAQXZXMAZ-UHFFFAOYSA-N 0 3 408.506 2.549 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cn1 ZINC000790424179 1078022798 /nfs/dbraw/zinc/02/27/98/1078022798.db2.gz KJHAWWPAXSLOKO-VOQZNFBZSA-N 0 3 411.550 2.631 20 0 HFADHN COc1ccc(C(=O)C2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000792945115 1078023297 /nfs/dbraw/zinc/02/32/97/1078023297.db2.gz VCIQCOJCPDZUQS-SFHVURJKSA-N 0 3 406.523 2.866 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914805 1078024919 /nfs/dbraw/zinc/02/49/19/1078024919.db2.gz SWKWBBYDOHSWOS-WOSRLPQWSA-N 0 3 421.847 2.555 20 0 HFADHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937845 1078029380 /nfs/dbraw/zinc/02/93/80/1078029380.db2.gz ZZRYVYSXWZBMKY-GRDNDAEWSA-N 0 3 410.474 2.606 20 0 HFADHN Cc1ccc(C(=O)NC2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)s1 ZINC000792963118 1078036827 /nfs/dbraw/zinc/03/68/27/1078036827.db2.gz VTYGLRIHGDFLTG-INIZCTEOSA-N 0 3 411.568 2.526 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000790483479 1078041809 /nfs/dbraw/zinc/04/18/09/1078041809.db2.gz GRFOSADHZMHTMP-NJNPRVFISA-N 0 3 402.539 2.629 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000790483484 1078041819 /nfs/dbraw/zinc/04/18/19/1078041819.db2.gz GRFOSADHZMHTMP-SPEDKVCISA-N 0 3 402.539 2.629 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000806270962 1079532848 /nfs/dbraw/zinc/53/28/48/1079532848.db2.gz KGYAWMFFFKPGKY-LPHOPBHVSA-N 0 3 413.440 2.961 20 0 HFADHN O=C(CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)NCc1ccccc1 ZINC000747324983 1079591995 /nfs/dbraw/zinc/59/19/95/1079591995.db2.gz VCPWRTQJCLQVIL-OAQYLSRUSA-N 0 3 419.447 2.874 20 0 HFADHN Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H]4CN5CCC[C@H]5CO4)c3)cn2c1 ZINC000747326643 1079631324 /nfs/dbraw/zinc/63/13/24/1079631324.db2.gz TYQHMUDCIIJBAG-RBBKRZOGSA-N 0 3 420.513 2.815 20 0 HFADHN C[C@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613975 1079641656 /nfs/dbraw/zinc/64/16/56/1079641656.db2.gz NZMUACPKKBASQB-HTAPYJJXSA-N 0 3 400.544 2.974 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)N3CCCC[C@H]3COC(=O)NC)c2)CC1 ZINC000806430823 1079677380 /nfs/dbraw/zinc/67/73/80/1079677380.db2.gz BVPOEWMUIFQYNC-IBGZPJMESA-N 0 3 403.527 2.571 20 0 HFADHN CS[C@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@@H]1N(C)C ZINC000772847540 1079804652 /nfs/dbraw/zinc/80/46/52/1079804652.db2.gz TXAMPWSCOADFMG-ROUUACIJSA-N 0 3 419.591 2.553 20 0 HFADHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747341694 1079876273 /nfs/dbraw/zinc/87/62/73/1079876273.db2.gz HKBLIESKTQHYHR-MSOLQXFVSA-N 0 3 402.926 2.795 20 0 HFADHN CN1CC[C@](O)(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679591 1079908938 /nfs/dbraw/zinc/90/89/38/1079908938.db2.gz DIAINYLXLAJBCX-HOCLYGCPSA-N 0 3 419.740 2.945 20 0 HFADHN CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000806796317 1080015528 /nfs/dbraw/zinc/01/55/28/1080015528.db2.gz ZCILDDYLXSCWPQ-FXAWDEMLSA-N 0 3 402.539 2.958 20 0 HFADHN CC(C)Oc1ccc(-c2nc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cs2)cc1 ZINC001130806381 1080175507 /nfs/dbraw/zinc/17/55/07/1080175507.db2.gz JRWAILHGRKMFIU-UHFFFAOYSA-N 0 3 418.563 2.689 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807003157 1080181738 /nfs/dbraw/zinc/18/17/38/1080181738.db2.gz WKYLXJGAIZEPKU-OAQYLSRUSA-N 0 3 424.545 2.761 20 0 HFADHN CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807129349 1080295752 /nfs/dbraw/zinc/29/57/52/1080295752.db2.gz CVERVXUBWUTWAS-MJGOQNOKSA-N 0 3 406.527 2.607 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000807149134 1080302904 /nfs/dbraw/zinc/30/29/04/1080302904.db2.gz SZTAHAJNTAXAOH-KPFFTGBYSA-N 0 3 420.554 2.854 20 0 HFADHN CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)c2)CC1 ZINC000807181867 1080374665 /nfs/dbraw/zinc/37/46/65/1080374665.db2.gz YEAMQDVQPCUITO-KRWDZBQOSA-N 0 3 412.456 2.709 20 0 HFADHN CCOC(=O)C1=C(Nc2ccccc2CS(=O)(=O)c2ccccc2)CCNC1 ZINC001170520416 1080393352 /nfs/dbraw/zinc/39/33/52/1080393352.db2.gz HDFMBCZXADSKLZ-UHFFFAOYSA-N 0 3 400.500 2.883 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1ccco1 ZINC000807442070 1080662478 /nfs/dbraw/zinc/66/24/78/1080662478.db2.gz VMFBJZQECZNYEH-BHYGNILZSA-N 0 3 417.506 2.985 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442375 1080662562 /nfs/dbraw/zinc/66/25/62/1080662562.db2.gz ZDBSNUWJEOGNHU-JCHJZTRSSA-N 0 3 403.527 2.740 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441943 1080663345 /nfs/dbraw/zinc/66/33/45/1080663345.db2.gz SBDLDYKHXIZWPK-BMFAXAFESA-N 0 3 403.527 2.598 20 0 HFADHN CCN(C(=O)NCC1CCN(C(=O)OC)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000807525778 1080779096 /nfs/dbraw/zinc/77/90/96/1080779096.db2.gz RMMIPHKRQDBVII-HXUWFJFHSA-N 0 3 402.539 2.771 20 0 HFADHN Cc1csc2nc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)cc(=O)n12 ZINC001176589578 1126149881 /nfs/dbraw/zinc/14/98/81/1126149881.db2.gz XIVGBQZHJUXFLK-GOSISDBHSA-N 0 3 422.348 2.910 20 0 HFADHN Cc1ccc(C[C@H](CO)NCc2c(CNC(=O)OC(C)(C)C)cnn2C)cc1C ZINC001182204357 1126153077 /nfs/dbraw/zinc/15/30/77/1126153077.db2.gz QBQZIFUGZNSUMM-LJQANCHMSA-N 0 3 402.539 2.755 20 0 HFADHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H](CO)Cc1ccccc1 ZINC001308378742 1126165693 /nfs/dbraw/zinc/16/56/93/1126165693.db2.gz ODWLWXZUVILPOF-RDTXWAMCSA-N 0 3 421.335 2.656 20 0 HFADHN Cn1cc(-c2cc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)on2)cn1 ZINC001560183392 1126209035 /nfs/dbraw/zinc/20/90/35/1126209035.db2.gz OFOCJDZVZJXXKG-GOSISDBHSA-N 0 3 405.296 2.921 20 0 HFADHN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164389827 718822786 /nfs/dbraw/zinc/82/27/86/718822786.db2.gz JTYATNNMCMCZMU-AAEUAGOBSA-N 0 3 405.232 2.928 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)nc3)CC2)CC1 ZINC001164614128 719023249 /nfs/dbraw/zinc/02/32/49/719023249.db2.gz NPCGNABEWAVGJL-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(CN)ncn1)CC2 ZINC001164664493 719348646 /nfs/dbraw/zinc/34/86/46/719348646.db2.gz VXERGPJDVNEGLR-UHFFFAOYSA-N 0 3 403.534 2.630 20 0 HFADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164725816 720417815 /nfs/dbraw/zinc/41/78/15/720417815.db2.gz BAKIIIFFDWWEPG-UHDDOPSISA-N 0 3 403.486 2.997 20 0 HFADHN Clc1cccc(-c2cccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)n1 ZINC001164739253 720699293 /nfs/dbraw/zinc/69/92/93/720699293.db2.gz MKVKIPGOSWDGLT-JKSUJKDBSA-N 0 3 408.893 2.929 20 0 HFADHN c1cn(C2CCCC2)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737804 720710315 /nfs/dbraw/zinc/71/03/15/720710315.db2.gz GYFPNEIXKFYXQV-ZWKOTPCHSA-N 0 3 405.506 2.678 20 0 HFADHN Cc1nc2c3ccccc3oc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739494 720725273 /nfs/dbraw/zinc/72/52/73/720725273.db2.gz IYABVENGAJURBR-HZPDHXFCSA-N 0 3 402.458 2.816 20 0 HFADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744916 720744937 /nfs/dbraw/zinc/74/49/37/720744937.db2.gz TUVYUCLMGUXSAD-UONOGXRCSA-N 0 3 400.845 2.554 20 0 HFADHN Clc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164738578 720778886 /nfs/dbraw/zinc/77/88/86/720778886.db2.gz GBJOXYHMUSUGKY-SJORKVTESA-N 0 3 408.893 2.929 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865481 721102197 /nfs/dbraw/zinc/10/21/97/721102197.db2.gz LOXNGRDYKWSTSG-WOJBJXKFSA-N 0 3 410.518 2.750 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865479 721103524 /nfs/dbraw/zinc/10/35/24/721103524.db2.gz LOXNGRDYKWSTSG-UXHICEINSA-N 0 3 410.518 2.750 20 0 HFADHN CCCN(CCC)c1cncc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865153 721115905 /nfs/dbraw/zinc/11/59/05/721115905.db2.gz IUAANEQOIUDHFB-SFTDATJTSA-N 0 3 410.566 2.978 20 0 HFADHN CCCN(CCC)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164862804 721116795 /nfs/dbraw/zinc/11/67/95/721116795.db2.gz AOODYIRWYNSRKB-NHCUHLMSSA-N 0 3 410.566 2.978 20 0 HFADHN COC(=O)c1ccc2nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001164768170 721116984 /nfs/dbraw/zinc/11/69/84/721116984.db2.gz NNCGWTXZYCUQNC-WOJBJXKFSA-N 0 3 405.502 2.713 20 0 HFADHN CCOC(=O)c1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870220 721124914 /nfs/dbraw/zinc/12/49/14/721124914.db2.gz BWSFDLVCEOQZGF-IRXDYDNUSA-N 0 3 416.909 2.786 20 0 HFADHN CCOC(=O)c1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870221 721125555 /nfs/dbraw/zinc/12/55/55/721125555.db2.gz BWSFDLVCEOQZGF-SJORKVTESA-N 0 3 416.909 2.786 20 0 HFADHN COc1cccc2c1nc(Cl)nc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762084 721127509 /nfs/dbraw/zinc/12/75/09/721127509.db2.gz BVIQFHWHFLTZHA-HZPDHXFCSA-N 0 3 412.925 2.984 20 0 HFADHN COc1cc2nc(C)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164763396 721136795 /nfs/dbraw/zinc/13/67/95/721136795.db2.gz FMNWOEPCEPDTPA-MSOLQXFVSA-N 0 3 422.533 2.647 20 0 HFADHN CSc1nc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2s1 ZINC001164765019 721168923 /nfs/dbraw/zinc/16/89/23/721168923.db2.gz HLGFGRDFHACLJZ-ZIAGYGMSSA-N 0 3 401.565 2.500 20 0 HFADHN CCOC(=O)c1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1Cl ZINC001164761331 721178420 /nfs/dbraw/zinc/17/84/20/721178420.db2.gz APSJKAYDFQTELY-CVEARBPZSA-N 0 3 403.914 2.604 20 0 HFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CCN3C2)c1 ZINC001164880380 721184642 /nfs/dbraw/zinc/18/46/42/721184642.db2.gz WBQCQSSVHCMLNN-SFTDATJTSA-N 0 3 409.534 2.920 20 0 HFADHN CSc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164869307 721189252 /nfs/dbraw/zinc/18/92/52/721189252.db2.gz QFSBUMNRRDXWGD-CVEARBPZSA-N 0 3 403.577 2.795 20 0 HFADHN COC(=O)C[C@H](c1ccnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1)C1CC1 ZINC001164762730 721189580 /nfs/dbraw/zinc/18/95/80/721189580.db2.gz DMZUGBLZUCURIP-FSSWDIPSSA-N 0 3 423.561 2.830 20 0 HFADHN COc1ccccc1-c1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164762630 721209055 /nfs/dbraw/zinc/20/90/55/721209055.db2.gz DBTCDFITVPVJRV-MOPGFXCFSA-N 0 3 404.518 2.844 20 0 HFADHN COC(=O)c1cc2ccccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770919 721209773 /nfs/dbraw/zinc/20/97/73/721209773.db2.gz PFMXOMYEDDAFDJ-RBUKOAKNSA-N 0 3 405.502 2.713 20 0 HFADHN COc1ccc(-c2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ncn2)cc1 ZINC001164772870 721209980 /nfs/dbraw/zinc/20/99/80/721209980.db2.gz VTRAALVLGKKNDT-PMACEKPBSA-N 0 3 404.518 2.844 20 0 HFADHN COc1cc2cnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768268 721212800 /nfs/dbraw/zinc/21/28/00/721212800.db2.gz KTLMBUKOWLTPOF-FXAWDEMLSA-N 0 3 407.518 2.944 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164766218 721230907 /nfs/dbraw/zinc/23/09/07/721230907.db2.gz SZDKMCBRVXITPL-OALUTQOASA-N 0 3 405.506 2.701 20 0 HFADHN O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C1 ZINC001164885920 721351355 /nfs/dbraw/zinc/35/13/55/721351355.db2.gz QUOULNZBBBQSTM-VXKWHMMOSA-N 0 3 406.530 2.655 20 0 HFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887835 721447996 /nfs/dbraw/zinc/44/79/96/721447996.db2.gz KJPTXFSDIDOXTN-MHECFPHRSA-N 0 3 409.578 2.817 20 0 HFADHN Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(N)=O ZINC001164897691 721513582 /nfs/dbraw/zinc/51/35/82/721513582.db2.gz GIAZXEMXAXJRKS-GOEBONIOSA-N 0 3 404.873 2.623 20 0 HFADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)CCN3C2)c1 ZINC001164910231 721544818 /nfs/dbraw/zinc/54/48/18/721544818.db2.gz TVTXTXYRQDWBPX-HIFRSBDPSA-N 0 3 400.845 2.554 20 0 HFADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907621 721547952 /nfs/dbraw/zinc/54/79/52/721547952.db2.gz NQLFZHQWEFDRPA-MJGOQNOKSA-N 0 3 414.481 2.504 20 0 HFADHN FC1(F)CCN(c2ccc(-n3ccnc3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907353 721713969 /nfs/dbraw/zinc/71/39/69/721713969.db2.gz RCQNMTUPDKEZIB-HXUWFJFHSA-N 0 3 411.460 2.795 20 0 HFADHN CN(Cc1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979489 /nfs/dbraw/zinc/97/94/89/721979489.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 0 3 419.573 2.647 20 0 HFADHN c1cc(CN2CCOCC3(CCN(c4nccc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164961194 722051788 /nfs/dbraw/zinc/05/17/88/722051788.db2.gz VKWNVJZUBKSTKO-UHFFFAOYSA-N 0 3 408.550 2.591 20 0 HFADHN CS(=O)(=O)N1C[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]2c2ccccc21 ZINC001164972355 722091011 /nfs/dbraw/zinc/09/10/11/722091011.db2.gz GHTMCDMOJWQEKL-ICSRJNTNSA-N 0 3 412.559 2.677 20 0 HFADHN COC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983986 722102460 /nfs/dbraw/zinc/10/24/60/722102460.db2.gz RLEWALPZTFCVOP-APWZRJJASA-N 0 3 416.909 2.644 20 0 HFADHN COC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983993 722102906 /nfs/dbraw/zinc/10/29/06/722102906.db2.gz RLEWALPZTFCVOP-QFBILLFUSA-N 0 3 416.909 2.644 20 0 HFADHN Clc1nc2ncccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984701 722104974 /nfs/dbraw/zinc/10/49/74/722104974.db2.gz TZNCDAWGXOVPMB-WMZOPIPTSA-N 0 3 410.909 2.801 20 0 HFADHN FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985882 722105828 /nfs/dbraw/zinc/10/58/28/722105828.db2.gz XJVYRSQUZYOIPP-WBVHZDCISA-N 0 3 409.868 2.797 20 0 HFADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974907 722116011 /nfs/dbraw/zinc/11/60/11/722116011.db2.gz IVIDXQKPGHJLNK-WOJBJXKFSA-N 0 3 410.518 2.607 20 0 HFADHN COC(=O)c1ccc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974890 722122994 /nfs/dbraw/zinc/12/29/94/722122994.db2.gz ITWBOZIIDIIWSB-QFBILLFUSA-N 0 3 416.909 2.644 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@@H]3C2)c1 ZINC001164978151 722125758 /nfs/dbraw/zinc/12/57/58/722125758.db2.gz NPNZLRSQECQLDM-NHCUHLMSSA-N 0 3 402.502 2.661 20 0 HFADHN COc1cccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981706 722143334 /nfs/dbraw/zinc/14/33/34/722143334.db2.gz PZXITJWJEXQBAR-RXVVDRJESA-N 0 3 405.502 2.761 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@@H]3C2)c1 ZINC001164978894 722144721 /nfs/dbraw/zinc/14/47/21/722144721.db2.gz KLWYSJOTILGKRO-IFMALSPDSA-N 0 3 402.502 2.661 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3C2)c1 ZINC001164978896 722144939 /nfs/dbraw/zinc/14/49/39/722144939.db2.gz KLWYSJOTILGKRO-RBBKRZOGSA-N 0 3 402.502 2.661 20 0 HFADHN CN(Cc1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1)C1CC1 ZINC001165001799 722250044 /nfs/dbraw/zinc/25/00/44/722250044.db2.gz VHKIZZPXZJBKRF-HSZRJFAPSA-N 0 3 410.518 2.780 20 0 HFADHN CCCS(=O)(=O)N1CCC(NCc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790516572 1078049339 /nfs/dbraw/zinc/04/93/39/1078049339.db2.gz GAZIXJCIZSALRQ-UHFFFAOYSA-N 0 3 410.971 2.879 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793042511 1078054369 /nfs/dbraw/zinc/05/43/69/1078054369.db2.gz NKRKOJKGDSDXHZ-UHFFFAOYSA-N 0 3 423.286 2.512 20 0 HFADHN C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H](c1ccccc1)N(C)C ZINC000793050286 1078056608 /nfs/dbraw/zinc/05/66/08/1078056608.db2.gz MDMPLHZAIMWLQV-BLLLJJGKSA-N 0 3 405.296 2.590 20 0 HFADHN CCS(=O)(=O)N1CCC(CNCc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790574988 1078066824 /nfs/dbraw/zinc/06/68/24/1078066824.db2.gz ULEIQSQHTULPMV-UHFFFAOYSA-N 0 3 410.971 2.736 20 0 HFADHN O=C(N[C@H]1CCN(CC2CC2)C1)c1nc(Br)ccc1Br ZINC000790607827 1078074017 /nfs/dbraw/zinc/07/40/17/1078074017.db2.gz FYVRJTWPXJPIMT-JTQLQIEISA-N 0 3 403.118 2.821 20 0 HFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000793215957 1078099440 /nfs/dbraw/zinc/09/94/40/1078099440.db2.gz YYLQTILQWYBQKK-MRXNPFEDSA-N 0 3 421.542 2.567 20 0 HFADHN NC(=O)COc1ccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000793294072 1078120364 /nfs/dbraw/zinc/12/03/64/1078120364.db2.gz DPILXYZBFRBZPX-HXUWFJFHSA-N 0 3 411.502 2.689 20 0 HFADHN COCC1(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790814304 1078127707 /nfs/dbraw/zinc/12/77/07/1078127707.db2.gz PYARHHUHIHYHSX-KRWDZBQOSA-N 0 3 424.586 2.600 20 0 HFADHN C[C@]1(NCc2cccc(NS(C)(=O)=O)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345137 1078132640 /nfs/dbraw/zinc/13/26/40/1078132640.db2.gz YBVNEDLUCJLGBG-NRFANRHFSA-N 0 3 417.531 2.949 20 0 HFADHN CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@@H]1CCCCN1C1CC1)C(=O)OC(C)(C)C ZINC000790847360 1078146800 /nfs/dbraw/zinc/14/68/00/1078146800.db2.gz NCXNDLUAHPMFIM-SZMVWBNQSA-N 0 3 412.550 2.992 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515357 1078197389 /nfs/dbraw/zinc/19/73/89/1078197389.db2.gz DOPPYYYXTYEVEN-SFTDATJTSA-N 0 3 411.502 2.998 20 0 HFADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793629672 1078233263 /nfs/dbraw/zinc/23/32/63/1078233263.db2.gz JOXXPOARPDUSQU-PGRDOPGGSA-N 0 3 411.546 2.629 20 0 HFADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657859 1078259985 /nfs/dbraw/zinc/25/99/85/1078259985.db2.gz NFODGJHRHHWAGC-QAPCUYQASA-N 0 3 403.523 2.988 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)N1CCCCC1 ZINC000793713416 1078261199 /nfs/dbraw/zinc/26/11/99/1078261199.db2.gz KXGXJMZJPOLMQW-SFHVURJKSA-N 0 3 419.529 2.632 20 0 HFADHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000793713952 1078261794 /nfs/dbraw/zinc/26/17/94/1078261794.db2.gz QCMZEUPNMMVPRP-UNMCSNQZSA-N 0 3 415.578 2.536 20 0 HFADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793717272 1078263395 /nfs/dbraw/zinc/26/33/95/1078263395.db2.gz ILXDFIVILYNRSD-JOCHJYFZSA-N 0 3 411.521 2.821 20 0 HFADHN CCCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000793726449 1078267459 /nfs/dbraw/zinc/26/74/59/1078267459.db2.gz RZNCGPWCUDVVRJ-MOPGFXCFSA-N 0 3 416.566 2.633 20 0 HFADHN C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000793697066 1078271872 /nfs/dbraw/zinc/27/18/72/1078271872.db2.gz GLJMMZKJOXMGGC-JKSUJKDBSA-N 0 3 405.514 2.782 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000793695673 1078271893 /nfs/dbraw/zinc/27/18/93/1078271893.db2.gz FBPGRWVAWJWAOA-OXJNMPFZSA-N 0 3 421.969 2.603 20 0 HFADHN CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793699139 1078272790 /nfs/dbraw/zinc/27/27/90/1078272790.db2.gz MFZHNFRWWNWEPV-OAHLLOKOSA-N 0 3 410.356 2.788 20 0 HFADHN CSC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301184 /nfs/dbraw/zinc/30/11/84/1078301184.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 0 3 416.591 2.606 20 0 HFADHN Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)s1 ZINC000793867705 1078328399 /nfs/dbraw/zinc/32/83/99/1078328399.db2.gz QMVKWTBEEIGGGV-INIZCTEOSA-N 0 3 415.559 2.507 20 0 HFADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901913 1078333059 /nfs/dbraw/zinc/33/30/59/1078333059.db2.gz OXTUSEIYXXBCRA-OALUTQOASA-N 0 3 414.594 2.695 20 0 HFADHN COCN1C(=O)CCc2cc(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)ccc21 ZINC000793909309 1078335087 /nfs/dbraw/zinc/33/50/87/1078335087.db2.gz AZNBSDRHMNQUTL-IBGZPJMESA-N 0 3 408.502 2.815 20 0 HFADHN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000793899630 1078343732 /nfs/dbraw/zinc/34/37/32/1078343732.db2.gz BGYCTIQLMWZGDP-UEXGIBASSA-N 0 3 421.557 2.580 20 0 HFADHN O=C(CCCN1CCN(c2ccccc2)CC1)N(CCO)Cc1cccnc1Cl ZINC000794321593 1078413388 /nfs/dbraw/zinc/41/33/88/1078413388.db2.gz OISDGGTXCBUJGP-UHFFFAOYSA-N 0 3 416.953 2.658 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000794339086 1078419164 /nfs/dbraw/zinc/41/91/64/1078419164.db2.gz LMLOAVYKCUXXMN-FQEVSTJZSA-N 0 3 424.501 2.540 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794340608 1078419853 /nfs/dbraw/zinc/41/98/53/1078419853.db2.gz YNNNFFDFODOURM-JOCHJYFZSA-N 0 3 418.538 2.776 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341884 1078420232 /nfs/dbraw/zinc/42/02/32/1078420232.db2.gz APCJIANIDDASFK-SJLPKXTDSA-N 0 3 418.538 2.774 20 0 HFADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC001129812505 1078510496 /nfs/dbraw/zinc/51/04/96/1078510496.db2.gz CQPDJQYFJFABDH-NFBKMPQASA-N 0 3 419.529 2.843 20 0 HFADHN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCN1C ZINC001129905747 1078577466 /nfs/dbraw/zinc/57/74/66/1078577466.db2.gz PGOXPCQAYWNXKY-HJPURHCSSA-N 0 3 417.550 2.914 20 0 HFADHN COC1(C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)CCOCC1 ZINC001129610779 1078581163 /nfs/dbraw/zinc/58/11/63/1078581163.db2.gz BICINDDMSZDLIF-UHFFFAOYSA-N 0 3 421.969 2.649 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000804567476 1078601847 /nfs/dbraw/zinc/60/18/47/1078601847.db2.gz OHYNRYWLGFRICS-QHCPKHFHSA-N 0 3 417.550 2.796 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000804567161 1078602287 /nfs/dbraw/zinc/60/22/87/1078602287.db2.gz LTEQDXIMBJOYGQ-UHFFFAOYSA-N 0 3 411.543 2.605 20 0 HFADHN CCN1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1=O ZINC001129677166 1078665510 /nfs/dbraw/zinc/66/55/10/1078665510.db2.gz DZGZXZLSNRARGQ-ILWGZMRPSA-N 0 3 409.505 2.778 20 0 HFADHN CCN(C)c1ccccc1CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000804829458 1078669337 /nfs/dbraw/zinc/66/93/37/1078669337.db2.gz VZWJOTSJGXZOQB-UHFFFAOYSA-N 0 3 410.562 2.658 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000804894793 1078751500 /nfs/dbraw/zinc/75/15/00/1078751500.db2.gz RQUBKYJDDGBIKA-UHFFFAOYSA-N 0 3 402.539 2.601 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000804952088 1078779836 /nfs/dbraw/zinc/77/98/36/1078779836.db2.gz IJPQWOLDEAHNQP-DNQXCXABSA-N 0 3 424.589 2.960 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3noc4ccccc34)cc2)CC1 ZINC000804964740 1078801553 /nfs/dbraw/zinc/80/15/53/1078801553.db2.gz RIMJAPNHPKYARN-UHFFFAOYSA-N 0 3 422.485 2.694 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000804976614 1078811945 /nfs/dbraw/zinc/81/19/45/1078811945.db2.gz HTTQBLKDZAZAGE-ALKREAHSSA-N 0 3 413.440 2.959 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000805119040 1078902285 /nfs/dbraw/zinc/90/22/85/1078902285.db2.gz HFJPTVCRRBZNRD-VQIMIIECSA-N 0 3 413.440 2.788 20 0 HFADHN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000805074723 1078906540 /nfs/dbraw/zinc/90/65/40/1078906540.db2.gz OIEOUVMXCSMGSF-NVXWUHKLSA-N 0 3 401.429 2.632 20 0 HFADHN COC1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074811 1078906652 /nfs/dbraw/zinc/90/66/52/1078906652.db2.gz QBBZJFKOIDQMKR-BTDURJGWSA-N 0 3 401.551 2.892 20 0 HFADHN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747232022 1078949894 /nfs/dbraw/zinc/94/98/94/1078949894.db2.gz PTXRFFLQUYTDRD-FSSWDIPSSA-N 0 3 407.514 2.527 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)cc1Cl ZINC000805181223 1078965689 /nfs/dbraw/zinc/96/56/89/1078965689.db2.gz SMNVYHWVHZVOEQ-SFHVURJKSA-N 0 3 422.017 2.618 20 0 HFADHN CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805196165 1078969936 /nfs/dbraw/zinc/96/99/36/1078969936.db2.gz OSQXNGZTPRXJFI-QFIPXVFZSA-N 0 3 414.937 2.864 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000805244992 1078981600 /nfs/dbraw/zinc/98/16/00/1078981600.db2.gz VQSVIYJVVDPPRQ-IBGZPJMESA-N 0 3 423.513 2.562 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234283 1078989906 /nfs/dbraw/zinc/98/99/06/1078989906.db2.gz NZPLMMUTFDAMBX-HOTGVXAUSA-N 0 3 400.500 2.779 20 0 HFADHN CC(C)Oc1ccc([C@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)N(C)C)cc1 ZINC000805275601 1079004944 /nfs/dbraw/zinc/00/49/44/1079004944.db2.gz LYVGKKCPLCSRFT-FQEVSTJZSA-N 0 3 408.502 2.753 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000805359002 1079045385 /nfs/dbraw/zinc/04/53/85/1079045385.db2.gz WDZVHJBRKFGMEK-GOTSBHOMSA-N 0 3 411.546 2.873 20 0 HFADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206201 1079083894 /nfs/dbraw/zinc/08/38/94/1079083894.db2.gz JPRHULVDJHXMBT-OCCSQVGLSA-N 0 3 417.926 2.661 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)ccc1F ZINC000747243464 1079089495 /nfs/dbraw/zinc/08/94/95/1079089495.db2.gz TUVMBKMJCJWXRJ-UHFFFAOYSA-N 0 3 420.506 2.598 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]C2CC[NH+](CC3CC3)CC2)c(Cl)cc1Cl ZINC000747249545 1079124295 /nfs/dbraw/zinc/12/42/95/1079124295.db2.gz VQEFASCZXPMRSS-UHFFFAOYSA-N 0 3 421.346 2.933 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)ccc1F ZINC000747249969 1079146673 /nfs/dbraw/zinc/14/66/73/1079146673.db2.gz FKDOACRCPMGWSF-UHFFFAOYSA-N 0 3 412.527 2.889 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000805654689 1079205576 /nfs/dbraw/zinc/20/55/76/1079205576.db2.gz ZDDFHAUEJSTTTR-UHFFFAOYSA-N 0 3 423.469 2.733 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1C ZINC000805675125 1079214420 /nfs/dbraw/zinc/21/44/20/1079214420.db2.gz JDGZEWZFLIYNFO-OAQYLSRUSA-N 0 3 408.546 2.828 20 0 HFADHN C[C@@H](CO)N(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CCCC1 ZINC000805752149 1079231087 /nfs/dbraw/zinc/23/10/87/1079231087.db2.gz ZLQKBIVYCNJBMA-KRWDZBQOSA-N 0 3 413.518 2.798 20 0 HFADHN CS(=O)(=O)CCCOc1cccc2c1CC[C@@H]2OC(=O)C1CCN(C2CC2)CC1 ZINC000805888161 1079339723 /nfs/dbraw/zinc/33/97/23/1079339723.db2.gz LSQKFWQJSGCPFU-NRFANRHFSA-N 0 3 421.559 2.905 20 0 HFADHN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1)CCC2 ZINC000805940545 1079343767 /nfs/dbraw/zinc/34/37/67/1079343767.db2.gz STGMLMGMVQUMJH-YLJYHZDGSA-N 0 3 411.550 2.594 20 0 HFADHN CCNC(=O)Oc1cccc(OC(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130489315 1079413110 /nfs/dbraw/zinc/41/31/10/1079413110.db2.gz CLVQBIVUANMDNK-PMACEKPBSA-N 0 3 414.506 2.948 20 0 HFADHN C[C@H](Sc1ncccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCCC1 ZINC001130518242 1079449455 /nfs/dbraw/zinc/44/94/55/1079449455.db2.gz ISJUOQDEHSZFOW-YTQUADARSA-N 0 3 416.591 2.931 20 0 HFADHN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC001130518915 1079450267 /nfs/dbraw/zinc/45/02/67/1079450267.db2.gz QUXKGSZDGKDRNA-BZSNNMDCSA-N 0 3 409.571 2.830 20 0 HFADHN COc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519868 1079451541 /nfs/dbraw/zinc/45/15/41/1079451541.db2.gz YLAMMFPOTUSLGT-IRXDYDNUSA-N 0 3 423.579 2.519 20 0 HFADHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174520 1079464200 /nfs/dbraw/zinc/46/42/00/1079464200.db2.gz XYMOZTWIDDADQF-PBHICJAKSA-N 0 3 424.523 2.712 20 0 HFADHN COCc1cc([C@H](C)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1OC ZINC000806183096 1079476708 /nfs/dbraw/zinc/47/67/08/1079476708.db2.gz LYTZSGNJGNTKER-LPHOPBHVSA-N 0 3 404.532 2.955 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000806206708 1079493029 /nfs/dbraw/zinc/49/30/29/1079493029.db2.gz KIYIDCQNYCMQCX-UHFFFAOYSA-N 0 3 424.998 2.528 20 0 HFADHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(-n3nccn3)nc2)N(C)C)cc1 ZINC000806212398 1079496803 /nfs/dbraw/zinc/49/68/03/1079496803.db2.gz PDHKSULCNAWYHT-IBGZPJMESA-N 0 3 409.494 2.874 20 0 HFADHN CC(C)N1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787308653 1076755413 /nfs/dbraw/zinc/75/54/13/1076755413.db2.gz FPNVPVCUIDUCGJ-INIZCTEOSA-N 0 3 405.543 2.690 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000787323196 1076766801 /nfs/dbraw/zinc/76/68/01/1076766801.db2.gz ARYNJTNROFFFOW-YQVWRLOYSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC001170072350 1076773072 /nfs/dbraw/zinc/77/30/72/1076773072.db2.gz KDNAIAPDZVIXEA-IRXDYDNUSA-N 0 3 405.502 2.587 20 0 HFADHN Cc1cccnc1C(F)(F)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000787339834 1076783946 /nfs/dbraw/zinc/78/39/46/1076783946.db2.gz LOBGFTSXMDKDJD-UHFFFAOYSA-N 0 3 416.472 2.624 20 0 HFADHN CCOc1ccc(-c2nnc(SCCCN3CCN(C(C)C)CC3)n2N)cc1 ZINC000787488701 1076844687 /nfs/dbraw/zinc/84/46/87/1076844687.db2.gz DMOONNNWLQGJMQ-UHFFFAOYSA-N 0 3 404.584 2.566 20 0 HFADHN O=C(/C(=C\c1cccs1)n1nnnc1-c1ccccc1)N1CCN2CCC1CC2 ZINC000787523350 1076846879 /nfs/dbraw/zinc/84/68/79/1076846879.db2.gz MRKNOTLRISASIJ-XDJHFCHBSA-N 0 3 406.515 2.706 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000787681480 1076909509 /nfs/dbraw/zinc/90/95/09/1076909509.db2.gz CSIKPWMHXYXBBJ-IPEVAPCJSA-N 0 3 423.513 2.762 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000787682992 1076910020 /nfs/dbraw/zinc/91/00/20/1076910020.db2.gz FOYIKSRWGSTEGI-CQSZACIVSA-N 0 3 404.511 2.625 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710646 1076922213 /nfs/dbraw/zinc/92/22/13/1076922213.db2.gz MUVOAMUHJZPLGW-DYESRHJHSA-N 0 3 423.579 2.703 20 0 HFADHN Cn1cc(CN[C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761333 1076929936 /nfs/dbraw/zinc/92/99/36/1076929936.db2.gz JQYQLWZLKKOBKS-HUUCEWRRSA-N 0 3 418.460 2.943 20 0 HFADHN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000787880376 1076974327 /nfs/dbraw/zinc/97/43/27/1076974327.db2.gz RYAYAZSSWLPETM-HUUCEWRRSA-N 0 3 411.930 2.683 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccsc3C)cc2)CC1 ZINC000787863203 1076985765 /nfs/dbraw/zinc/98/57/65/1076985765.db2.gz LMHXCVLBYSOMLR-UHFFFAOYSA-N 0 3 401.532 2.923 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505059 1077184758 /nfs/dbraw/zinc/18/47/58/1077184758.db2.gz RGKHHXMJBHHACC-VYDXJSESSA-N 0 3 411.568 2.882 20 0 HFADHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000788602467 1077220191 /nfs/dbraw/zinc/22/01/91/1077220191.db2.gz NTWVXJBTRSUIEO-HUUCEWRRSA-N 0 3 420.362 2.647 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c(C)c1Cl ZINC000788653188 1077227166 /nfs/dbraw/zinc/22/71/66/1077227166.db2.gz QHEGBIXOPHOVIF-VXGBXAGGSA-N 0 3 406.957 2.601 20 0 HFADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@@H]1C ZINC000788635435 1077240912 /nfs/dbraw/zinc/24/09/12/1077240912.db2.gz YJAIYKAHGLQWID-CMPLNLGQSA-N 0 3 408.973 2.990 20 0 HFADHN Clc1ccc2c(n1)[C@H](N[C@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637949 1077242183 /nfs/dbraw/zinc/24/21/83/1077242183.db2.gz CUHHGESKRYUUQD-DLBZAZTESA-N 0 3 414.941 2.608 20 0 HFADHN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3ccc(CN(C)C)cc3)C2=O)c(C)c1 ZINC000788677390 1077246401 /nfs/dbraw/zinc/24/64/01/1077246401.db2.gz BFSASAVGMKQQDJ-HXUWFJFHSA-N 0 3 415.559 2.757 20 0 HFADHN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681880 1077249269 /nfs/dbraw/zinc/24/92/69/1077249269.db2.gz ZRPLPDUUXMERLH-WBVHZDCISA-N 0 3 411.568 2.815 20 0 HFADHN CCOC(=O)C1([C@H](C)NCc2cnn(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788685409 1077250210 /nfs/dbraw/zinc/25/02/10/1077250210.db2.gz INSCBTKEFFBNEZ-INIZCTEOSA-N 0 3 408.543 2.787 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000790973016 1077267958 /nfs/dbraw/zinc/26/79/58/1077267958.db2.gz DNGFJYNSHDNWIW-QGZVFWFLSA-N 0 3 403.914 2.701 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000790975598 1077268236 /nfs/dbraw/zinc/26/82/36/1077268236.db2.gz RGRWNZVOYMUDEF-KRWDZBQOSA-N 0 3 408.493 2.740 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058733 1077285432 /nfs/dbraw/zinc/28/54/32/1077285432.db2.gz FIFQIAXBGRETMV-QAPCUYQASA-N 0 3 419.570 2.984 20 0 HFADHN CCOC(=O)C1([C@@H](C)NCc2cc(C)nn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788819444 1077307576 /nfs/dbraw/zinc/30/75/76/1077307576.db2.gz RVYCZJMWQPJUNV-MRXNPFEDSA-N 0 3 408.543 2.787 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825349 1077310954 /nfs/dbraw/zinc/31/09/54/1077310954.db2.gz YSCPWUJTULCXKQ-SCTDSRPQSA-N 0 3 404.507 2.911 20 0 HFADHN Cn1cc(C(=O)NCC2CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)cn1 ZINC000788844078 1077317916 /nfs/dbraw/zinc/31/79/16/1077317916.db2.gz UNHLDJBTZXTLFM-UHFFFAOYSA-N 0 3 421.586 2.898 20 0 HFADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169140 1077325627 /nfs/dbraw/zinc/32/56/27/1077325627.db2.gz SHLBEDKSVAXVFN-UHFFFAOYSA-N 0 3 412.509 2.803 20 0 HFADHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925179 1077337954 /nfs/dbraw/zinc/33/79/54/1077337954.db2.gz CULINJIGOYHMPW-VQIMIIECSA-N 0 3 414.550 2.980 20 0 HFADHN Cc1ncccc1CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600116 1077500918 /nfs/dbraw/zinc/50/09/18/1077500918.db2.gz AQXAZYXWUBPYHN-RBKMHILSSA-N 0 3 403.526 2.898 20 0 HFADHN Cc1cccnc1CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600232 1077506173 /nfs/dbraw/zinc/50/61/73/1077506173.db2.gz INLZCUOAQULFRZ-IEUDBEKPSA-N 0 3 403.526 2.898 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000791715652 1077536724 /nfs/dbraw/zinc/53/67/24/1077536724.db2.gz BYROWZQVTGGOLU-UHFFFAOYSA-N 0 3 421.929 2.908 20 0 HFADHN CCOC(=O)Nc1ccc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1 ZINC000746805985 1077556254 /nfs/dbraw/zinc/55/62/54/1077556254.db2.gz MZNATUHPMXIXEH-UHFFFAOYSA-N 0 3 412.446 2.977 20 0 HFADHN CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4ccnc4)cc3)cccc21 ZINC000789402799 1077560553 /nfs/dbraw/zinc/56/05/53/1077560553.db2.gz JFJIVIMYMZHAGV-FQEVSTJZSA-N 0 3 419.485 2.512 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000789405855 1077562726 /nfs/dbraw/zinc/56/27/26/1077562726.db2.gz SYHKBIGZAFLEQI-UHFFFAOYSA-N 0 3 410.852 2.851 20 0 HFADHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000791828655 1077576849 /nfs/dbraw/zinc/57/68/49/1077576849.db2.gz NQIFYMKIXKRWPP-GOSISDBHSA-N 0 3 406.461 2.624 20 0 HFADHN CC(=O)[C@@H]1CC(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828718 1077576967 /nfs/dbraw/zinc/57/69/67/1077576967.db2.gz OVAKAEZJDAJISY-OFNKIYASSA-N 0 3 404.514 2.849 20 0 HFADHN O=C(NCc1ccnc(-n2ccnc2)c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792059619 1077665493 /nfs/dbraw/zinc/66/54/93/1077665493.db2.gz GMSLUHBXBUURLR-UHFFFAOYSA-N 0 3 422.455 2.872 20 0 HFADHN Cc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c(CN(C)C)c1 ZINC000792176501 1077735194 /nfs/dbraw/zinc/73/51/94/1077735194.db2.gz UIINWBFQZDWUQM-UHFFFAOYSA-N 0 3 404.555 2.938 20 0 HFADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000792235178 1077757844 /nfs/dbraw/zinc/75/78/44/1077757844.db2.gz LRKCAFVMGJYWCZ-CQSZACIVSA-N 0 3 415.925 2.553 20 0 HFADHN O=C(NC[C@]1(O)CCc2ccccc21)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792278198 1077772991 /nfs/dbraw/zinc/77/29/91/1077772991.db2.gz UWOWKPOASJMCTB-LBXVMSDZSA-N 0 3 411.468 2.925 20 0 HFADHN C[C@@H](CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000792252284 1077780143 /nfs/dbraw/zinc/78/01/43/1077780143.db2.gz PHDCMWCGYLFUDQ-KRWDZBQOSA-N 0 3 419.570 2.643 20 0 HFADHN CC[C@H](C)[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260152 1077784660 /nfs/dbraw/zinc/78/46/60/1077784660.db2.gz NDDURUQEAGEJCY-HAGHYFMRSA-N 0 3 418.578 2.990 20 0 HFADHN C[C@@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCCC2=O)cc1 ZINC000792276272 1077791757 /nfs/dbraw/zinc/79/17/57/1077791757.db2.gz HWHMZAPXBWFBBQ-GOSISDBHSA-N 0 3 415.559 2.926 20 0 HFADHN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792330199 1077792618 /nfs/dbraw/zinc/79/26/18/1077792618.db2.gz CTYOGDXUFOQWPS-KRWDZBQOSA-N 0 3 424.586 2.970 20 0 HFADHN C[C@@H]1CN(C(=O)CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H](C)O1 ZINC000792331596 1077821704 /nfs/dbraw/zinc/82/17/04/1077821704.db2.gz GOGYKEKMRFKKAB-QZTJIDSGSA-N 0 3 409.571 2.735 20 0 HFADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789815481 1077824123 /nfs/dbraw/zinc/82/41/23/1077824123.db2.gz DGVQVMLYWJAJFS-GOSISDBHSA-N 0 3 403.523 2.539 20 0 HFADHN Nn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1[C@@H]1CCCCO1 ZINC000789921552 1077848307 /nfs/dbraw/zinc/84/83/07/1077848307.db2.gz LNKRAWOAISVJDU-ROUUACIJSA-N 0 3 403.552 2.617 20 0 HFADHN CCOC(=O)N1CCC[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792555914 1077902231 /nfs/dbraw/zinc/90/22/31/1077902231.db2.gz PLHYGNVTFUWARN-IUDNXUCKSA-N 0 3 405.461 2.776 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)N1CCC[C@H](C)C1 ZINC000790031156 1077903618 /nfs/dbraw/zinc/90/36/18/1077903618.db2.gz FHYUWJQBHBMCJT-PMACEKPBSA-N 0 3 414.594 2.572 20 0 HFADHN CN(CCN1CCN(CN2CC[C@](C)(c3ccccc3)C2=O)CC1)Cc1ccccc1 ZINC000780428703 1077903652 /nfs/dbraw/zinc/90/36/52/1077903652.db2.gz HQMNTBRFANFDIY-AREMUKBSSA-N 0 3 420.601 2.884 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(-c2cscn2)cc1 ZINC000790033864 1077905787 /nfs/dbraw/zinc/90/57/87/1077905787.db2.gz YYXBAYXOHBWMND-UHFFFAOYSA-N 0 3 406.533 2.953 20 0 HFADHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790038482 1077907239 /nfs/dbraw/zinc/90/72/39/1077907239.db2.gz IXRIXASRVFQFBU-NVXWUHKLSA-N 0 3 411.568 2.672 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2=O ZINC000790013784 1077912888 /nfs/dbraw/zinc/91/28/88/1077912888.db2.gz FFCDSMZEFJRODN-UHFFFAOYSA-N 0 3 421.519 2.573 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)cc1 ZINC000790019155 1077915566 /nfs/dbraw/zinc/91/55/66/1077915566.db2.gz RIAUFVZCNNRNBV-HXUWFJFHSA-N 0 3 418.515 2.563 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000790110671 1077940306 /nfs/dbraw/zinc/94/03/06/1077940306.db2.gz OKCNHKBYTGQEEK-UHFFFAOYSA-N 0 3 420.460 2.685 20 0 HFADHN CN(C)C[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 ZINC001170320316 1077942323 /nfs/dbraw/zinc/94/23/23/1077942323.db2.gz JNYQPGUTYDNBRQ-QGZVFWFLSA-N 0 3 409.408 2.560 20 0 HFADHN CN(C)C[C@H](NC(=O)CNC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 ZINC001170320315 1077942356 /nfs/dbraw/zinc/94/23/56/1077942356.db2.gz JNYQPGUTYDNBRQ-KRWDZBQOSA-N 0 3 409.408 2.560 20 0 HFADHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1cc(-c2nc(COc3ccc(C)cc3)no2)ccn1 ZINC001170340715 1077953106 /nfs/dbraw/zinc/95/31/06/1077953106.db2.gz RMOHVDUTUYHXGL-UHFFFAOYSA-N 0 3 406.446 2.720 20 0 HFADHN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1)OCc1ccccc1 ZINC000746882917 1077956592 /nfs/dbraw/zinc/95/65/92/1077956592.db2.gz NQDYZPLERNINDZ-IFMALSPDSA-N 0 3 407.514 2.877 20 0 HFADHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000746887569 1077972913 /nfs/dbraw/zinc/97/29/13/1077972913.db2.gz RDXCKHBYPINBKA-AWEZNQCLSA-N 0 3 424.501 2.780 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000790268578 1077991153 /nfs/dbraw/zinc/99/11/53/1077991153.db2.gz GIGKQJLFMPTAFE-UHFFFAOYSA-N 0 3 408.506 2.549 20 0 HFADHN CC(C)(C)C[C@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000747086877 1077997425 /nfs/dbraw/zinc/99/74/25/1077997425.db2.gz IHOHBBDGUVZLSP-JPYJTQIMSA-N 0 3 414.550 2.862 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000790349435 1078001444 /nfs/dbraw/zinc/00/14/44/1078001444.db2.gz ZFGNIBFPZLGQRV-UHFFFAOYSA-N 0 3 407.467 2.509 20 0 HFADHN CN(CCc1ccc(Br)cc1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790363718 1078004996 /nfs/dbraw/zinc/00/49/96/1078004996.db2.gz UYXVTDHKWWBEBJ-IBGZPJMESA-N 0 3 408.340 2.798 20 0 HFADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2CC(C)(C)C)C1=O ZINC000747087325 1078005294 /nfs/dbraw/zinc/00/52/94/1078005294.db2.gz RNMOZUJUSQKKRE-HTAPYJJXSA-N 0 3 400.523 2.776 20 0 HFADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792863805 1078011200 /nfs/dbraw/zinc/01/12/00/1078011200.db2.gz SAHNNFLSSDJABJ-IBGZPJMESA-N 0 3 402.926 2.904 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000790389149 1078012292 /nfs/dbraw/zinc/01/22/92/1078012292.db2.gz JLUWATLBEPLSLD-JOCHJYFZSA-N 0 3 424.545 2.882 20 0 HFADHN O[C@H](C[C@H]1COCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873460 1078021825 /nfs/dbraw/zinc/02/18/25/1078021825.db2.gz SYNLGAVHWFVIEJ-FDFHNCONSA-N 0 3 400.519 2.695 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cn1 ZINC000790424176 1078022912 /nfs/dbraw/zinc/02/29/12/1078022912.db2.gz KJHAWWPAXSLOKO-BULFRSBZSA-N 0 3 411.550 2.631 20 0 HFADHN O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000747094549 1078036344 /nfs/dbraw/zinc/03/63/44/1078036344.db2.gz DCPJXADYMWSTAB-WIYYLYMNSA-N 0 3 424.501 2.648 20 0 HFADHN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](C)C2=CCN(C)CC2)cn1 ZINC000790468687 1078038422 /nfs/dbraw/zinc/03/84/22/1078038422.db2.gz RUKQVRPMALDKRC-AVRDEDQJSA-N 0 3 411.550 2.799 20 0 HFADHN CS(=O)(=O)CCOCCNCc1ccc(Br)cc1C(F)(F)F ZINC000792984944 1078041027 /nfs/dbraw/zinc/04/10/27/1078041027.db2.gz IERKBTBOTWZBHT-UHFFFAOYSA-N 0 3 404.248 2.619 20 0 HFADHN COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000792990177 1078042334 /nfs/dbraw/zinc/04/23/34/1078042334.db2.gz QEAPOAOHVHUYGV-JTHBVZDNSA-N 0 3 424.545 2.708 20 0 HFADHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282440 1079546505 /nfs/dbraw/zinc/54/65/05/1079546505.db2.gz LAXMTERUAIDFFV-PBHICJAKSA-N 0 3 408.524 2.580 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000806309396 1079564166 /nfs/dbraw/zinc/56/41/66/1079564166.db2.gz FBOZWUWSVDPPPQ-PMACEKPBSA-N 0 3 402.539 2.961 20 0 HFADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327742 1079599972 /nfs/dbraw/zinc/59/99/72/1079599972.db2.gz GHVUVEPWOPXJJH-HIFRSBDPSA-N 0 3 401.429 2.753 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000806342427 1079615691 /nfs/dbraw/zinc/61/56/91/1079615691.db2.gz JVBGLILTIFICRV-NRFANRHFSA-N 0 3 410.518 2.924 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000806434395 1079680153 /nfs/dbraw/zinc/68/01/53/1079680153.db2.gz KFNJTQCQADBNBU-UXHICEINSA-N 0 3 402.539 2.961 20 0 HFADHN CNC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000806434024 1079680176 /nfs/dbraw/zinc/68/01/76/1079680176.db2.gz ZUCRSAFAILYPBL-LJQANCHMSA-N 0 3 402.539 2.743 20 0 HFADHN Cc1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(Cl)n1 ZINC000806443746 1079715436 /nfs/dbraw/zinc/71/54/36/1079715436.db2.gz SXWDFDXEQHQAEY-UHFFFAOYSA-N 0 3 400.954 2.910 20 0 HFADHN CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000806474689 1079761308 /nfs/dbraw/zinc/76/13/08/1079761308.db2.gz DBUCQHBGWWENFG-YTQUADARSA-N 0 3 421.632 2.635 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341320 1079878800 /nfs/dbraw/zinc/87/88/00/1079878800.db2.gz FLLXIEAKPZAPQL-NJDAHSKKSA-N 0 3 421.541 2.671 20 0 HFADHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c12 ZINC000747344137 1079906931 /nfs/dbraw/zinc/90/69/31/1079906931.db2.gz UYKDSDBGTRLMFQ-DLBZAZTESA-N 0 3 411.550 2.965 20 0 HFADHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001130732684 1079969799 /nfs/dbraw/zinc/96/97/99/1079969799.db2.gz AVLQKTPYDYVSPR-JJEOQYAHSA-N 0 3 410.562 2.717 20 0 HFADHN Cc1ccc(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)c(Cl)n1 ZINC000806830372 1080043843 /nfs/dbraw/zinc/04/38/43/1080043843.db2.gz IQRLFWKKYCVPJJ-UHFFFAOYSA-N 0 3 414.937 2.728 20 0 HFADHN Cc1c(CNC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)oc2ccccc12 ZINC000806831486 1080044740 /nfs/dbraw/zinc/04/47/40/1080044740.db2.gz BPNQQXVPTWOCAI-UHFFFAOYSA-N 0 3 407.514 2.990 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000806953104 1080163517 /nfs/dbraw/zinc/16/35/17/1080163517.db2.gz HGWTUJVVJJYSCR-IHPCNDPISA-N 0 3 402.539 2.960 20 0 HFADHN COc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)c(I)c1 ZINC001130798385 1080185489 /nfs/dbraw/zinc/18/54/89/1080185489.db2.gz BXIRUZHHDLAYES-INIZCTEOSA-N 0 3 400.260 2.514 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077288 1080258650 /nfs/dbraw/zinc/25/86/50/1080258650.db2.gz FPMLDSGBYZUDQL-RTMXWXTASA-N 0 3 405.539 2.919 20 0 HFADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)COCc1ccccn1 ZINC000807102762 1080281951 /nfs/dbraw/zinc/28/19/51/1080281951.db2.gz VDECZKWHUYWLQS-UHFFFAOYSA-N 0 3 406.324 2.951 20 0 HFADHN CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000807189904 1080338291 /nfs/dbraw/zinc/33/82/91/1080338291.db2.gz ZHUVHCQREBLRRQ-HWOWSKLDSA-N 0 3 420.476 2.712 20 0 HFADHN COc1ccc(C2N=NC(=S)N2CCC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000747381128 1080385892 /nfs/dbraw/zinc/38/58/92/1080385892.db2.gz RYGQPHAIBRUQCC-UHFFFAOYSA-N 0 3 405.568 2.679 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3nc(C)cs3)cc2)CC1 ZINC000807273612 1080428043 /nfs/dbraw/zinc/42/80/43/1080428043.db2.gz ZLKXWCVGLWLVFA-UHFFFAOYSA-N 0 3 415.563 2.583 20 0 HFADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC001130895431 1080431845 /nfs/dbraw/zinc/43/18/45/1080431845.db2.gz PKKNWHKYYILZJR-CQSZACIVSA-N 0 3 415.987 2.973 20 0 HFADHN CN(C)C1(CNC(=O)C(=O)N2CCC(c3cccc(F)c3)CC2)Cc2ccccc2C1 ZINC000807297602 1080492841 /nfs/dbraw/zinc/49/28/41/1080492841.db2.gz HUAYOMXGLOCOKM-UHFFFAOYSA-N 0 3 423.532 2.747 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000807331744 1080531703 /nfs/dbraw/zinc/53/17/03/1080531703.db2.gz GMTLCCPQPNTBCT-OALUTQOASA-N 0 3 416.566 2.573 20 0 HFADHN CNC(=O)Oc1cccc(OC(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130932630 1080578597 /nfs/dbraw/zinc/57/85/97/1080578597.db2.gz NMSALWBVWGYGET-RTBURBONSA-N 0 3 400.479 2.558 20 0 HFADHN Cc1cc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)cnc1Br ZINC000807413821 1080611759 /nfs/dbraw/zinc/61/17/59/1080611759.db2.gz WJBFAXKGUCPSIN-UHFFFAOYSA-N 0 3 423.311 2.665 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccco1 ZINC000807442073 1080662510 /nfs/dbraw/zinc/66/25/10/1080662510.db2.gz VMFBJZQECZNYEH-XIRDDKMYSA-N 0 3 417.506 2.985 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442966 1080663380 /nfs/dbraw/zinc/66/33/80/1080663380.db2.gz UTQGLXCPNKXOLB-IHRRRGAJSA-N 0 3 404.433 2.513 20 0 HFADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000807487734 1080673249 /nfs/dbraw/zinc/67/32/49/1080673249.db2.gz HEUOCXMIRFIJGY-KRWDZBQOSA-N 0 3 409.408 2.555 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000807524948 1080777558 /nfs/dbraw/zinc/77/75/58/1080777558.db2.gz QJAFNRLKBDURQQ-HXUWFJFHSA-N 0 3 402.539 2.771 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000807525894 1080778719 /nfs/dbraw/zinc/77/87/19/1080778719.db2.gz XGXOKNILQURASQ-FQEVSTJZSA-N 0 3 420.554 2.854 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000807525654 1080779121 /nfs/dbraw/zinc/77/91/21/1080779121.db2.gz MFEYOVRFGSKVKY-UHFFFAOYSA-N 0 3 412.481 2.516 20 0 HFADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc(S(C)(=O)=O)s1 ZINC001206857650 1126159904 /nfs/dbraw/zinc/15/99/04/1126159904.db2.gz XCQBANXWGLVTMI-MRXNPFEDSA-N 0 3 418.378 2.997 20 0 HFADHN O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c3)cc21 ZINC001164729037 720377052 /nfs/dbraw/zinc/37/70/52/720377052.db2.gz UVEACVQTJRYQPR-FGZHOGPDSA-N 0 3 414.513 2.611 20 0 HFADHN Cc1cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164740081 720666087 /nfs/dbraw/zinc/66/60/87/720666087.db2.gz PPCKHFBNVAJARI-STQMWFEESA-N 0 3 402.911 2.785 20 0 HFADHN C[C@@H]1CCc2c(sc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)C1 ZINC001164738526 720691840 /nfs/dbraw/zinc/69/18/40/720691840.db2.gz KJAOLLURKSPJHH-PMPSAXMXSA-N 0 3 422.558 2.948 20 0 HFADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741473 720749840 /nfs/dbraw/zinc/74/98/40/720749840.db2.gz MRVWXMIDTUCESH-CABCVRRESA-N 0 3 413.913 2.798 20 0 HFADHN CCc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738041 720780816 /nfs/dbraw/zinc/78/08/16/720780816.db2.gz DOLQXZACYIMAPQ-WOJBJXKFSA-N 0 3 402.502 2.838 20 0 HFADHN c1ccc(SCc2nccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164749816 720802181 /nfs/dbraw/zinc/80/21/81/720802181.db2.gz UOQVMYZWOQSLHL-ZWKOTPCHSA-N 0 3 420.542 2.901 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2CO[C@@H](CNC(=O)c3ccno3)[C@@H]2C1 ZINC001164859137 720914780 /nfs/dbraw/zinc/91/47/80/720914780.db2.gz OZAVSSRIDUXKDV-UNEWFSDZSA-N 0 3 404.898 2.725 20 0 HFADHN CCOC(=O)c1cnc(Cl)cc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773495 721073266 /nfs/dbraw/zinc/07/32/66/721073266.db2.gz XJMRZGPHBCQVPV-HZPDHXFCSA-N 0 3 403.914 2.604 20 0 HFADHN c1ccc(COc2cnnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164864835 721102092 /nfs/dbraw/zinc/10/20/92/721102092.db2.gz GSBWWHNFGNWDEB-FYYLOGMGSA-N 0 3 417.513 2.930 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164864665 721103002 /nfs/dbraw/zinc/10/30/02/721103002.db2.gz GNUDMWMKGFOJHW-ICSRJNTNSA-N 0 3 405.502 2.822 20 0 HFADHN COC(=O)c1ccc2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164764816 721113078 /nfs/dbraw/zinc/11/30/78/721113078.db2.gz IBXVCDASRWVIQM-PMACEKPBSA-N 0 3 405.502 2.713 20 0 HFADHN CSc1nc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164863341 721116944 /nfs/dbraw/zinc/11/69/44/721116944.db2.gz BZHHWAQQQIXZSI-HUUCEWRRSA-N 0 3 414.560 2.683 20 0 HFADHN CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763411 721171506 /nfs/dbraw/zinc/17/15/06/721171506.db2.gz FVHHGPSHEUJJBL-JKSUJKDBSA-N 0 3 414.945 2.752 20 0 HFADHN Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)s1 ZINC001164761885 721229031 /nfs/dbraw/zinc/22/90/31/721229031.db2.gz JSAONBFECJYINF-ZWKOTPCHSA-N 0 3 409.563 2.909 20 0 HFADHN COc1cc2nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c(OC)c1 ZINC001164768082 721234250 /nfs/dbraw/zinc/23/42/50/721234250.db2.gz XVZICBHFMKWMEA-QZTJIDSGSA-N 0 3 407.518 2.944 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164912352 721532627 /nfs/dbraw/zinc/53/26/27/721532627.db2.gz YZUWCPSIEGBXOX-WMZOPIPTSA-N 0 3 413.497 2.942 20 0 HFADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ncc5ncnc(Cl)c5n4)CCN3C2)c1 ZINC001164910235 721545112 /nfs/dbraw/zinc/54/51/12/721545112.db2.gz TVTXTXYRQDWBPX-ZFWWWQNUSA-N 0 3 400.845 2.554 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164811243 721589900 /nfs/dbraw/zinc/58/99/00/721589900.db2.gz WXJPDZHIWDMDBO-ZLNRFVROSA-N 0 3 407.562 2.941 20 0 HFADHN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3c2ccc(CN3CCCC3)cn2)c1 ZINC001165015913 721781890 /nfs/dbraw/zinc/78/18/90/721781890.db2.gz BQSSEYLBYCBMLW-QZNHQXDQSA-N 0 3 411.550 2.717 20 0 HFADHN CN(Cc1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)nc1)C1CC1 ZINC001165022497 721782170 /nfs/dbraw/zinc/78/21/70/721782170.db2.gz RQCJSAUWLKHLTE-XJUOHMSHSA-N 0 3 411.550 2.715 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)c1 ZINC001164969489 722082549 /nfs/dbraw/zinc/08/25/49/722082549.db2.gz OQXNGCLIPXDHKA-LEWJYISDSA-N 0 3 412.509 2.536 20 0 HFADHN CS(=O)(=O)N1C[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2c2ccccc21 ZINC001164972865 722090611 /nfs/dbraw/zinc/09/06/11/722090611.db2.gz ITYBMOWXECFMPX-ICSRJNTNSA-N 0 3 412.559 2.677 20 0 HFADHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986228 722098834 /nfs/dbraw/zinc/09/88/34/722098834.db2.gz YLZKCBYQBJTRAY-RTWAWAEBSA-N 0 3 408.550 2.729 20 0 HFADHN CCOC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164986191 722099686 /nfs/dbraw/zinc/09/96/86/722099686.db2.gz YIPGDWLPYBODGF-FPOVZHCZSA-N 0 3 410.518 2.689 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@@H]3C2)c1 ZINC001164984061 722099728 /nfs/dbraw/zinc/09/97/28/722099728.db2.gz ROUQWTURJZFLBU-RTWAWAEBSA-N 0 3 408.550 2.589 20 0 HFADHN CSc1nc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977209 722100547 /nfs/dbraw/zinc/10/05/47/722100547.db2.gz FBCNYVLHVSKFNZ-JKSUJKDBSA-N 0 3 405.955 2.974 20 0 HFADHN FC(F)(c1cnc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985876 722105728 /nfs/dbraw/zinc/10/57/28/722105728.db2.gz XJVYRSQUZYOIPP-DOTOQJQBSA-N 0 3 409.868 2.797 20 0 HFADHN COc1cccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985180 722106035 /nfs/dbraw/zinc/10/60/35/722106035.db2.gz VGQFSGKPAWTERB-GHTZIAJQSA-N 0 3 405.502 2.761 20 0 HFADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)SCC2 ZINC001164976612 722110821 /nfs/dbraw/zinc/11/08/21/722110821.db2.gz LYHOFNCVLJYYQA-DOTOQJQBSA-N 0 3 417.966 2.901 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983873 722129546 /nfs/dbraw/zinc/12/95/46/722129546.db2.gz VWUFVAXQWCVHQS-VGOFRKELSA-N 0 3 423.492 2.900 20 0 HFADHN Nc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164977085 722137236 /nfs/dbraw/zinc/13/72/36/722137236.db2.gz IRGFRKYUHYXBRT-QAPCUYQASA-N 0 3 423.895 2.984 20 0 HFADHN C[C@@H]1CCCN(c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)C1 ZINC001164985419 722149430 /nfs/dbraw/zinc/14/94/30/722149430.db2.gz ZJOGRMGSFGLOTA-HJNYFJLDSA-N 0 3 422.577 2.835 20 0 HFADHN c1csc(-c2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164972167 722157077 /nfs/dbraw/zinc/15/70/77/722157077.db2.gz GIWOWWJPKHJKLN-QZTJIDSGSA-N 0 3 408.531 2.722 20 0 HFADHN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000790501012 1078046099 /nfs/dbraw/zinc/04/60/99/1078046099.db2.gz DNBFGJNNINMEAO-PKOBYXMFSA-N 0 3 420.554 2.635 20 0 HFADHN C[C@H]1CN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC2(CCOCC2)O1 ZINC000790603085 1078064894 /nfs/dbraw/zinc/06/48/94/1078064894.db2.gz HGDMCXFOVCOKBQ-SFHVURJKSA-N 0 3 403.592 2.795 20 0 HFADHN O=C(OC[C@H]1CCCCN1CCCON1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC001170141857 1078083737 /nfs/dbraw/zinc/08/37/37/1078083737.db2.gz WRZMTFIDHAHURL-QGZVFWFLSA-N 0 3 415.490 2.691 20 0 HFADHN Cc1ccc(CN2CC[C@@H](NC(=O)N(CCc3ccccc3)CCN(C)C)C2=O)cc1 ZINC000790696437 1078098703 /nfs/dbraw/zinc/09/87/03/1078098703.db2.gz JFQBGHWIRIDLSH-HSZRJFAPSA-N 0 3 422.573 2.912 20 0 HFADHN Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000790707702 1078102629 /nfs/dbraw/zinc/10/26/29/1078102629.db2.gz CILNEJSWPYMWBZ-ZWKOTPCHSA-N 0 3 406.958 2.733 20 0 HFADHN C[C@@]1(NCc2cnc(N3CCOCC3)s2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344685 1078131552 /nfs/dbraw/zinc/13/15/52/1078131552.db2.gz VBBPTOYUCTZFGM-OAQYLSRUSA-N 0 3 416.547 2.871 20 0 HFADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790801005 1078139156 /nfs/dbraw/zinc/13/91/56/1078139156.db2.gz SIXMPUYMLVCROI-PZJWPPBQSA-N 0 3 416.485 2.857 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521506 1078198568 /nfs/dbraw/zinc/19/85/68/1078198568.db2.gz YHPZIOLNSYLJJT-GOTSBHOMSA-N 0 3 409.530 2.950 20 0 HFADHN CN(C)CCN(C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C1CCCC1 ZINC000793498961 1078203316 /nfs/dbraw/zinc/20/33/16/1078203316.db2.gz QHUMGNJLERROTO-NHCUHLMSSA-N 0 3 424.545 2.911 20 0 HFADHN COc1cc([C@H](C)N[C@@H](CO)C[C@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570202 1078212172 /nfs/dbraw/zinc/21/21/72/1078212172.db2.gz PGMCPHGRJIXNML-GHJWDPDVSA-N 0 3 409.495 2.500 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1cccnc1)N1CCCCC1 ZINC000793720718 1078265429 /nfs/dbraw/zinc/26/54/29/1078265429.db2.gz HHXTXZBSSUPKBJ-HXUWFJFHSA-N 0 3 408.546 2.644 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)N1CCCCC1 ZINC000793729452 1078268884 /nfs/dbraw/zinc/26/88/84/1078268884.db2.gz WPDBAEALJQVMNZ-OAHLLOKOSA-N 0 3 422.367 2.588 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCCCC1 ZINC000793694786 1078271226 /nfs/dbraw/zinc/27/12/26/1078271226.db2.gz BMKXAWILDCMDJV-IAGOWNOFSA-N 0 3 414.575 2.993 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000793695676 1078271929 /nfs/dbraw/zinc/27/19/29/1078271929.db2.gz FBPGRWVAWJWAOA-UZLBHIALSA-N 0 3 421.969 2.603 20 0 HFADHN Cc1ccc(C[C@@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c2ccccn2)cc1 ZINC000793703062 1078274998 /nfs/dbraw/zinc/27/49/98/1078274998.db2.gz VXOFTQCQHKHKCA-DENIHFKCSA-N 0 3 408.546 2.781 20 0 HFADHN CC1CCN([C@@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782333 1078292592 /nfs/dbraw/zinc/29/25/92/1078292592.db2.gz GOEMRBZJNNPOCB-GGAORHGYSA-N 0 3 420.557 2.987 20 0 HFADHN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000772838705 1078329671 /nfs/dbraw/zinc/32/96/71/1078329671.db2.gz UVSOYYICQDQJAX-TYPHKJRUSA-N 0 3 402.922 2.763 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000794339463 1078419820 /nfs/dbraw/zinc/41/98/20/1078419820.db2.gz NWTMBKIEMRYPPY-KRWDZBQOSA-N 0 3 404.511 2.528 20 0 HFADHN CCN1CCN(C(=O)CCCCCCCC(=O)N2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000804380464 1078440578 /nfs/dbraw/zinc/44/05/78/1078440578.db2.gz VVAFATHTHAVCSN-OYRHEFFESA-N 0 3 408.631 2.822 20 0 HFADHN CC(C)Cc1ncnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1I ZINC000804396539 1078461609 /nfs/dbraw/zinc/46/16/09/1078461609.db2.gz JOIJKYYDCLHADK-CHWSQXEVSA-N 0 3 416.307 2.555 20 0 HFADHN CN(C)CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001129434505 1078463603 /nfs/dbraw/zinc/46/36/03/1078463603.db2.gz QBZOWPJOJKLYIM-OAQYLSRUSA-N 0 3 417.513 2.651 20 0 HFADHN CCN1CCN(CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747207023 1078502572 /nfs/dbraw/zinc/50/25/72/1078502572.db2.gz IFKMFOUAYVQFFC-UHFFFAOYSA-N 0 3 406.621 2.780 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804443430 1078507962 /nfs/dbraw/zinc/50/79/62/1078507962.db2.gz YOJBEUGPHBGVCL-UHFFFAOYSA-N 0 3 422.570 2.867 20 0 HFADHN O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1C[C@@H](NC/C=C/c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129857606 1078538206 /nfs/dbraw/zinc/53/82/06/1078538206.db2.gz AUCVKQXQYCPMKP-PUYFCITHSA-N 0 3 403.530 2.935 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000804496012 1078552243 /nfs/dbraw/zinc/55/22/43/1078552243.db2.gz UKORGUGWSRVMGU-ZIAGYGMSSA-N 0 3 407.563 2.675 20 0 HFADHN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCCN2C)c1)c1ccccc1 ZINC001129903675 1078576170 /nfs/dbraw/zinc/57/61/70/1078576170.db2.gz AXCYWFZGXUSEOX-FXAWDEMLSA-N 0 3 415.559 2.892 20 0 HFADHN CN(C[C@H]1CCCN1C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001129905783 1078577939 /nfs/dbraw/zinc/57/79/39/1078577939.db2.gz PVBXBNAKTIWQKU-CYBMUJFWSA-N 0 3 401.960 2.583 20 0 HFADHN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129611607 1078582375 /nfs/dbraw/zinc/58/23/75/1078582375.db2.gz LEAXYUSQJYXOJI-VQTJNVASSA-N 0 3 419.953 2.652 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000804563565 1078599192 /nfs/dbraw/zinc/59/91/92/1078599192.db2.gz SPZPRJQTQISMKZ-ZIAGYGMSSA-N 0 3 407.563 2.818 20 0 HFADHN CN(C)Cc1cccc(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804761742 1078610572 /nfs/dbraw/zinc/61/05/72/1078610572.db2.gz MKBIWBDZENKDIJ-FQEVSTJZSA-N 0 3 416.566 2.515 20 0 HFADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000804949433 1078777362 /nfs/dbraw/zinc/77/73/62/1078777362.db2.gz NIKDMRVVNHOJNM-UHFFFAOYSA-N 0 3 422.982 2.659 20 0 HFADHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000805075424 1078907316 /nfs/dbraw/zinc/90/73/16/1078907316.db2.gz XEDRFZPOOMLCSA-IACUBPJLSA-N 0 3 400.292 2.812 20 0 HFADHN CC(=O)OCCCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805094297 1078920573 /nfs/dbraw/zinc/92/05/73/1078920573.db2.gz MYWMGPZQQMBJSR-FCHUYYIVSA-N 0 3 416.543 2.527 20 0 HFADHN C[C@H](C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F ZINC000805201943 1078953091 /nfs/dbraw/zinc/95/30/91/1078953091.db2.gz KITCYLVCNJCBHQ-CHWSQXEVSA-N 0 3 419.410 2.766 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3COc4ccccc4C3)cc2)CC1 ZINC000805244993 1078981620 /nfs/dbraw/zinc/98/16/20/1078981620.db2.gz VQSVIYJVVDPPRQ-LJQANCHMSA-N 0 3 423.513 2.562 20 0 HFADHN COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)s1 ZINC001130117785 1078988179 /nfs/dbraw/zinc/98/81/79/1078988179.db2.gz ZKLCLGKDAJFFCC-HNNXBMFYSA-N 0 3 416.547 2.951 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000805282437 1079008724 /nfs/dbraw/zinc/00/87/24/1079008724.db2.gz NZMSAUBQUSQKJT-UXHICEINSA-N 0 3 402.539 2.763 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000805292338 1079014814 /nfs/dbraw/zinc/01/48/14/1079014814.db2.gz DDYUUJRGZGVCOE-NRFANRHFSA-N 0 3 416.566 2.668 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000805411759 1079073444 /nfs/dbraw/zinc/07/34/44/1079073444.db2.gz YFLYPXKYYWYUHP-UXHICEINSA-N 0 3 402.539 2.811 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000747253100 1079160211 /nfs/dbraw/zinc/16/02/11/1079160211.db2.gz IFOGXCYHYMSRNW-KRWDZBQOSA-N 0 3 420.506 2.803 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)c(Cl)cc1Cl ZINC000747262788 1079200959 /nfs/dbraw/zinc/20/09/59/1079200959.db2.gz SIVQGIGBJOAMPD-UHFFFAOYSA-N 0 3 409.335 2.742 20 0 HFADHN CCCN(C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000805752179 1079231291 /nfs/dbraw/zinc/23/12/91/1079231291.db2.gz ADYCXPWYSZTFMO-QZTJIDSGSA-N 0 3 408.930 2.959 20 0 HFADHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805800878 1079280359 /nfs/dbraw/zinc/28/03/59/1079280359.db2.gz JIXAYZVWUREBDM-LRDDRELGSA-N 0 3 424.929 2.755 20 0 HFADHN CCOC(=O)Nc1ccc2c(CN3CC[C@@H](C(=O)N4CCCC4)C3)cc(=O)oc2c1 ZINC000805811197 1079285950 /nfs/dbraw/zinc/28/59/50/1079285950.db2.gz MMEDSJFQSWEDPB-OAHLLOKOSA-N 0 3 413.474 2.806 20 0 HFADHN CC1(C)NC(=O)N(CCCN2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC000805827182 1079297678 /nfs/dbraw/zinc/29/76/78/1079297678.db2.gz OMNLYLWFQBVEST-QGZVFWFLSA-N 0 3 408.543 2.620 20 0 HFADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281837 1079352701 /nfs/dbraw/zinc/35/27/01/1079352701.db2.gz MZWBVJFWEHHHBI-NSHDSACASA-N 0 3 409.335 2.885 20 0 HFADHN Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1Cl ZINC000747291869 1079390736 /nfs/dbraw/zinc/39/07/36/1079390736.db2.gz WXVLWXLKESDIRE-IBGZPJMESA-N 0 3 408.955 2.750 20 0 HFADHN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC001130518918 1079450787 /nfs/dbraw/zinc/45/07/87/1079450787.db2.gz QUXKGSZDGKDRNA-RCCFBDPRSA-N 0 3 409.571 2.830 20 0 HFADHN Cc1cc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)c2nccn2c1 ZINC001130541483 1079461923 /nfs/dbraw/zinc/46/19/23/1079461923.db2.gz DWZMGGBFPOIUNE-UHFFFAOYSA-N 0 3 407.518 2.911 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3CCC(=O)NC)cc2)CC1 ZINC000806155747 1079470475 /nfs/dbraw/zinc/47/04/75/1079470475.db2.gz UDSAJDLMMXCCNE-FQEVSTJZSA-N 0 3 401.555 2.741 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)[nH]n2)C1 ZINC000787313327 1076758865 /nfs/dbraw/zinc/75/88/65/1076758865.db2.gz AFGROPSXHGJQGZ-JKSUJKDBSA-N 0 3 414.510 2.808 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326643 1076769261 /nfs/dbraw/zinc/76/92/61/1076769261.db2.gz QBTUGEYEIIGQKP-MSOLQXFVSA-N 0 3 424.586 2.671 20 0 HFADHN CN1CC[C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689535 1076913376 /nfs/dbraw/zinc/91/33/76/1076913376.db2.gz LKNOSDROOLGINY-JXFKEZNVSA-N 0 3 412.559 2.699 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787704150 1076918809 /nfs/dbraw/zinc/91/88/09/1076918809.db2.gz DWKVODKOSZDSKF-XXBNENTESA-N 0 3 417.550 2.641 20 0 HFADHN CC(C)(C)OC(=O)NC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787729512 1076932974 /nfs/dbraw/zinc/93/29/74/1076932974.db2.gz INMOTJJYPWOOLW-KKSFZXQISA-N 0 3 413.559 2.736 20 0 HFADHN CNS(=O)(=O)c1cccc(CN[C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244779 1077085709 /nfs/dbraw/zinc/08/57/09/1077085709.db2.gz ITWWRGWNNIJSMF-ROUUACIJSA-N 0 3 411.568 2.910 20 0 HFADHN CC(C)(C)SCCNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000788378919 1077134573 /nfs/dbraw/zinc/13/45/73/1077134573.db2.gz IJZMANCALLXGAJ-UHFFFAOYSA-N 0 3 405.608 2.801 20 0 HFADHN C[C@@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000772720149 1077155029 /nfs/dbraw/zinc/15/50/29/1077155029.db2.gz ZWLYYYLLYUXOGK-MRXNPFEDSA-N 0 3 403.523 2.845 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](C)C[NH+]2CCCCC2)c(C)c1Cl ZINC000788600154 1077218914 /nfs/dbraw/zinc/21/89/14/1077218914.db2.gz SJTHWHBOOIIPKK-LLVKDONJSA-N 0 3 408.973 2.897 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641150 1077243596 /nfs/dbraw/zinc/24/35/96/1077243596.db2.gz VMZZGLVTYTTWQW-MOPGFXCFSA-N 0 3 414.506 2.903 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@H](C)[C@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662393 1077257733 /nfs/dbraw/zinc/25/77/33/1077257733.db2.gz CUKITOQLRIWYAN-ZSGPHXLJSA-N 0 3 410.486 2.778 20 0 HFADHN CCN1CCN(CCC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000791038175 1077279253 /nfs/dbraw/zinc/27/92/53/1077279253.db2.gz KBRPQXIXHAHKHA-UHFFFAOYSA-N 0 3 422.614 2.654 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NCC[C@@](C)(O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788768350 1077282201 /nfs/dbraw/zinc/28/22/01/1077282201.db2.gz ZJRLSALKQBEKAA-KGVIQGDOSA-N 0 3 406.523 2.815 20 0 HFADHN CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788800386 1077291817 /nfs/dbraw/zinc/29/18/17/1077291817.db2.gz ZHFXXGMQKFZUJI-GOSISDBHSA-N 0 3 403.523 2.959 20 0 HFADHN O=C(OCc1cn(-c2ccccc2Br)nn1)C1CCN(C2CC2)CC1 ZINC000791268735 1077353655 /nfs/dbraw/zinc/35/36/55/1077353655.db2.gz BFFXMCSPXCTINB-UHFFFAOYSA-N 0 3 405.296 2.947 20 0 HFADHN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)N1CCCCCC1 ZINC000791309611 1077381940 /nfs/dbraw/zinc/38/19/40/1077381940.db2.gz VLOUCTJPELDEOV-MSOLQXFVSA-N 0 3 419.570 2.805 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)NCC3(N4CCSCC4)CCCC3)C2)c1 ZINC000791511525 1077451037 /nfs/dbraw/zinc/45/10/37/1077451037.db2.gz YAPBBQUPUNFSCR-LJQANCHMSA-N 0 3 403.548 2.666 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CC(=O)c4ccccc43)cc2)CC1 ZINC000789303040 1077506770 /nfs/dbraw/zinc/50/67/70/1077506770.db2.gz NQSWLVBVNCVWTL-OAQYLSRUSA-N 0 3 421.497 2.680 20 0 HFADHN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1F ZINC000789386608 1077532578 /nfs/dbraw/zinc/53/25/78/1077532578.db2.gz CFAFAPRYOKGQLP-LLVKDONJSA-N 0 3 400.292 2.826 20 0 HFADHN O=C(OC[C@H]1CCCS(=O)(=O)C1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791776028 1077548616 /nfs/dbraw/zinc/54/86/16/1077548616.db2.gz DDBAZHSJRLCZFG-DGCLKSJQSA-N 0 3 420.314 2.714 20 0 HFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)/C=C\c3cnc4ccccc4n3)cc21 ZINC000746806586 1077555801 /nfs/dbraw/zinc/55/58/01/1077555801.db2.gz WKPLPSTVVXVHRE-NTMALXAHSA-N 0 3 403.442 2.751 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000791980691 1077620741 /nfs/dbraw/zinc/62/07/41/1077620741.db2.gz MWPNVVLQNHDLFE-ILXZRYGISA-N 0 3 424.545 2.630 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000791980694 1077620860 /nfs/dbraw/zinc/62/08/60/1077620860.db2.gz MWPNVVLQNHDLFE-JAOJYNAYSA-N 0 3 424.545 2.630 20 0 HFADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789565752 1077645946 /nfs/dbraw/zinc/64/59/46/1077645946.db2.gz ULBWYTTYUADFJJ-CYBMUJFWSA-N 0 3 404.417 2.691 20 0 HFADHN CN(C)CCN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792103070 1077697698 /nfs/dbraw/zinc/69/76/98/1077697698.db2.gz FDPQSUPDYADYBA-UHFFFAOYSA-N 0 3 404.555 2.524 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C2)c1 ZINC000792213220 1077767797 /nfs/dbraw/zinc/76/77/97/1077767797.db2.gz YVVFUOXGXKLJER-QFIPXVFZSA-N 0 3 409.486 2.784 20 0 HFADHN Cc1cc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792268451 1077787480 /nfs/dbraw/zinc/78/74/80/1077787480.db2.gz KIZVMJFRIUGYEY-UHFFFAOYSA-N 0 3 424.549 2.714 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCC[C@@H](C2OCCO2)C1 ZINC000792273880 1077788786 /nfs/dbraw/zinc/78/87/86/1077788786.db2.gz AWKZFSIKFNSFLK-IUDNXUCKSA-N 0 3 405.461 2.586 20 0 HFADHN CCOC(=O)N[C@@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792274688 1077789586 /nfs/dbraw/zinc/78/95/86/1077789586.db2.gz HURVLRCAJMLJNT-QQFBHYJXSA-N 0 3 420.476 2.712 20 0 HFADHN Cc1cc(NC(=O)C(=O)Nn2cnc3ccccc32)cc(N2CCN(C(C)C)CC2)c1 ZINC000792295383 1077793224 /nfs/dbraw/zinc/79/32/24/1077793224.db2.gz NAYRDBZEKBHBTE-UHFFFAOYSA-N 0 3 420.517 2.584 20 0 HFADHN CN(C(=O)c1ccc(NCc2cc(Br)nn2C)cc1)[C@H]1CCCN(C)C1 ZINC000789889453 1077838010 /nfs/dbraw/zinc/83/80/10/1077838010.db2.gz GZGWPVZPZPOGFL-INIZCTEOSA-N 0 3 420.355 2.961 20 0 HFADHN CCC[C@@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@@H](O)c1ccccc1 ZINC000792405352 1077838949 /nfs/dbraw/zinc/83/89/49/1077838949.db2.gz BGDKTGKMVPRSJU-NQIIRXRSSA-N 0 3 413.518 2.714 20 0 HFADHN COC(=O)c1cnc2cc(N(C(=N)N)c3ccc(N4CCOCC4)cc3)ccc2c1 ZINC001170166700 1077853660 /nfs/dbraw/zinc/85/36/60/1077853660.db2.gz MENGDYJLBNAUNZ-UHFFFAOYSA-N 0 3 405.458 2.890 20 0 HFADHN CCOC(=O)c1cc(N(C(=N)N)c2ccc(N3CCOCC3)cc2)cnc1OCC ZINC001170166990 1077869188 /nfs/dbraw/zinc/86/91/88/1077869188.db2.gz PSZVMEMVNKYMPV-UHFFFAOYSA-N 0 3 413.478 2.525 20 0 HFADHN COc1ccc(-n2ccc(N(C(=N)N)c3ccc(N4CCOCC4)cc3)cc2=O)cc1 ZINC001170167540 1077884681 /nfs/dbraw/zinc/88/46/81/1077884681.db2.gz MLZIOEUQSXQUGT-UHFFFAOYSA-N 0 3 419.485 2.714 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000792508671 1077896654 /nfs/dbraw/zinc/89/66/54/1077896654.db2.gz GZWDHGGMHIPKGP-KRWDZBQOSA-N 0 3 404.555 2.860 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1 ZINC000790016799 1077914346 /nfs/dbraw/zinc/91/43/46/1077914346.db2.gz UDUVDXWXUKRGCY-UHFFFAOYSA-N 0 3 417.531 2.690 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000790017325 1077914855 /nfs/dbraw/zinc/91/48/55/1077914855.db2.gz AWVLPDYIDOYSPN-HXUWFJFHSA-N 0 3 402.516 2.645 20 0 HFADHN C[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790019392 1077915625 /nfs/dbraw/zinc/91/56/25/1077915625.db2.gz RJTUVPAYKGJPIG-HOTGVXAUSA-N 0 3 411.568 2.767 20 0 HFADHN C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790019820 1077916326 /nfs/dbraw/zinc/91/63/26/1077916326.db2.gz RJTUVPAYKGJPIG-IYBDPMFKSA-N 0 3 411.568 2.767 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000790025342 1077918081 /nfs/dbraw/zinc/91/80/81/1077918081.db2.gz AKNGJHFVYBWZNC-QGZVFWFLSA-N 0 3 418.437 2.659 20 0 HFADHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000746873292 1077923332 /nfs/dbraw/zinc/92/33/32/1077923332.db2.gz QFJSPOGIYBLVBX-HNNXBMFYSA-N 0 3 420.469 2.610 20 0 HFADHN C[C@@H](Cc1ccccc1Cl)N1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001170275133 1077926524 /nfs/dbraw/zinc/92/65/24/1077926524.db2.gz UOIMFYPZXUDMSB-INIZCTEOSA-N 0 3 400.972 2.645 20 0 HFADHN C[C@H](Cc1ccccc1Cl)N1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001170275134 1077926530 /nfs/dbraw/zinc/92/65/30/1077926530.db2.gz UOIMFYPZXUDMSB-MRXNPFEDSA-N 0 3 400.972 2.645 20 0 HFADHN CC(C)CC(=O)N1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145538808 1077931592 /nfs/dbraw/zinc/93/15/92/1077931592.db2.gz MRXUYRUCOBFJMQ-UHFFFAOYSA-N 0 3 402.608 2.716 20 0 HFADHN CN(C)S(=O)(=O)CCCN1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001170300793 1077932177 /nfs/dbraw/zinc/93/21/77/1077932177.db2.gz XMMQZSIKHVWBLC-KRWDZBQOSA-N 0 3 417.616 2.625 20 0 HFADHN C[C@@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@H](CN2CCN(C)CC2)C1 ZINC001170281269 1077936879 /nfs/dbraw/zinc/93/68/79/1077936879.db2.gz CMPRSQPWNUQCFB-OALUTQOASA-N 0 3 401.986 2.847 20 0 HFADHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400324 1077965086 /nfs/dbraw/zinc/96/50/86/1077965086.db2.gz SJDAPCWGMJPZOM-WKPIXPDZSA-N 0 3 402.276 2.879 20 0 HFADHN COCC(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)cc1 ZINC000790183732 1077965274 /nfs/dbraw/zinc/96/52/74/1077965274.db2.gz VJDBAHLLJRCOQC-UHFFFAOYSA-N 0 3 414.506 2.876 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249832 1077976857 /nfs/dbraw/zinc/97/68/57/1077976857.db2.gz KYTXOOMSOOWGDO-WFASDCNBSA-N 0 3 413.448 2.672 20 0 HFADHN COc1csc(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000747085801 1077980905 /nfs/dbraw/zinc/98/09/05/1077980905.db2.gz FEKIPFAVWIEUEO-UHFFFAOYSA-N 0 3 402.516 2.956 20 0 HFADHN COc1ccccc1-c1nc(C2CCN(C(=S)NC3CCN(C)CC3)CC2)no1 ZINC000790333477 1078005972 /nfs/dbraw/zinc/00/59/72/1078005972.db2.gz RUCQSAABRNVENO-UHFFFAOYSA-N 0 3 415.563 2.893 20 0 HFADHN COc1cnccc1N1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000792843034 1078012930 /nfs/dbraw/zinc/01/29/30/1078012930.db2.gz YMKMSWKXEULPTH-UHFFFAOYSA-N 0 3 423.517 2.639 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)nc1Br ZINC000792989512 1078042018 /nfs/dbraw/zinc/04/20/18/1078042018.db2.gz NABLAOPIBIGHBJ-UHFFFAOYSA-N 0 3 409.328 2.568 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000806254934 1079523220 /nfs/dbraw/zinc/52/32/20/1079523220.db2.gz XLMRPRIHAZBRGW-HKBOAZHASA-N 0 3 419.541 2.621 20 0 HFADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000806307692 1079559658 /nfs/dbraw/zinc/55/96/58/1079559658.db2.gz HFMPHZCRIRQGBI-UXHICEINSA-N 0 3 404.555 2.812 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000806308541 1079562378 /nfs/dbraw/zinc/56/23/78/1079562378.db2.gz UVCRRFMRYALCCS-UXHICEINSA-N 0 3 404.555 2.858 20 0 HFADHN C[C@@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CCN(Cc2ccccc2)C1 ZINC001130609922 1079629403 /nfs/dbraw/zinc/62/94/03/1079629403.db2.gz NMMXSOBWVOTTMY-XUZZJYLKSA-N 0 3 406.530 2.715 20 0 HFADHN CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000806434023 1079680126 /nfs/dbraw/zinc/68/01/26/1079680126.db2.gz ZUCRSAFAILYPBL-IBGZPJMESA-N 0 3 402.539 2.743 20 0 HFADHN CC[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)N1CCc2ccccc2C1 ZINC000806397781 1079685875 /nfs/dbraw/zinc/68/58/75/1079685875.db2.gz QHVSKWUWYRTQGL-VQTJNVASSA-N 0 3 402.539 2.743 20 0 HFADHN CC(C)Oc1ccc([C@H](CNC(=O)NCC(=O)NCc2ccccc2)N(C)C)cc1 ZINC000806444379 1079713833 /nfs/dbraw/zinc/71/38/33/1079713833.db2.gz UFBVEEIJKCKOEZ-NRFANRHFSA-N 0 3 412.534 2.692 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)CC1 ZINC000806540961 1079778598 /nfs/dbraw/zinc/77/85/98/1079778598.db2.gz MVZXYEONONDWMC-FQEVSTJZSA-N 0 3 424.586 2.530 20 0 HFADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1ccc[nH]1 ZINC000806527263 1079801571 /nfs/dbraw/zinc/80/15/71/1079801571.db2.gz XLCBPKAKMNKVKN-CQSZACIVSA-N 0 3 421.339 2.545 20 0 HFADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806600388 1079842734 /nfs/dbraw/zinc/84/27/34/1079842734.db2.gz NXUYYPXZTGIXFJ-IBGZPJMESA-N 0 3 416.953 2.667 20 0 HFADHN COc1cccc(CN2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001137530956 1079847040 /nfs/dbraw/zinc/84/70/40/1079847040.db2.gz HGFQOGAXLRHEFS-JOCHJYFZSA-N 0 3 400.523 2.810 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342027 1079874423 /nfs/dbraw/zinc/87/44/23/1079874423.db2.gz JRPXQWVMRIAYGZ-RTWAWAEBSA-N 0 3 421.541 2.671 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806735630 1079960996 /nfs/dbraw/zinc/96/09/96/1079960996.db2.gz ATKVMCMMGFRPAS-DNVJHFABSA-N 0 3 409.530 2.795 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000806851321 1080036329 /nfs/dbraw/zinc/03/63/29/1080036329.db2.gz NKUXGIBHWOFMIX-UHFFFAOYSA-N 0 3 412.515 2.975 20 0 HFADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)N1CCCCC1 ZINC000806856387 1080060648 /nfs/dbraw/zinc/06/06/48/1080060648.db2.gz FOUCRWXRANCCQR-LBPRGKRZSA-N 0 3 403.857 2.913 20 0 HFADHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)ncc1Cl ZINC000806861416 1080063980 /nfs/dbraw/zinc/06/39/80/1080063980.db2.gz MYQNRGOJNCDKIR-GFCCVEGCSA-N 0 3 402.720 2.871 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862862 1080065641 /nfs/dbraw/zinc/06/56/41/1080065641.db2.gz REUOCBKDNCNKRW-SFTDATJTSA-N 0 3 410.518 2.711 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000806903222 1080109760 /nfs/dbraw/zinc/10/97/60/1080109760.db2.gz OBKOELKNAIILNK-LJQANCHMSA-N 0 3 412.575 2.576 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000807113848 1080290452 /nfs/dbraw/zinc/29/04/52/1080290452.db2.gz IKECZIJJASANGP-IHPCNDPISA-N 0 3 402.539 2.817 20 0 HFADHN CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000807149721 1080306178 /nfs/dbraw/zinc/30/61/78/1080306178.db2.gz GTSBEZNKVIUEDW-OXJNMPFZSA-N 0 3 420.554 2.854 20 0 HFADHN CN(C)CCn1cc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)ccc1=O ZINC000807156596 1080314212 /nfs/dbraw/zinc/31/42/12/1080314212.db2.gz HHRVFPORKNWVAW-HXUWFJFHSA-N 0 3 402.882 2.585 20 0 HFADHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000747381974 1080389847 /nfs/dbraw/zinc/38/98/47/1080389847.db2.gz YTTNSHJKRWXODG-GOSISDBHSA-N 0 3 417.579 2.502 20 0 HFADHN C[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)CN1CCN(C)CC1 ZINC000747394614 1080570179 /nfs/dbraw/zinc/57/01/79/1080570179.db2.gz VGYKMBYSUPBXQO-INIZCTEOSA-N 0 3 406.621 2.636 20 0 HFADHN COc1cc(OC)cc([C@H](O)CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000807400013 1080595127 /nfs/dbraw/zinc/59/51/27/1080595127.db2.gz WFFGYWOLVOFRHN-LPTQZCDUSA-N 0 3 401.507 2.728 20 0 HFADHN COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000807401265 1080596285 /nfs/dbraw/zinc/59/62/85/1080596285.db2.gz LNEZVRHXTIGCIJ-QFIXIFRTSA-N 0 3 401.507 2.728 20 0 HFADHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441169 1080661707 /nfs/dbraw/zinc/66/17/07/1080661707.db2.gz BPWKLJDVJLRPOS-CVEARBPZSA-N 0 3 407.584 2.917 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522184 1080774248 /nfs/dbraw/zinc/77/42/48/1080774248.db2.gz SSCHZXLHOFENTD-LJQANCHMSA-N 0 3 412.509 2.658 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000807524947 1080777715 /nfs/dbraw/zinc/77/77/15/1080777715.db2.gz QJAFNRLKBDURQQ-FQEVSTJZSA-N 0 3 402.539 2.771 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000807526302 1080778093 /nfs/dbraw/zinc/77/80/93/1080778093.db2.gz BDBMVQBXGHYAKA-GOSISDBHSA-N 0 3 402.539 2.771 20 0 HFADHN Cc1cc(CNC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)ccc1Cl ZINC000807582094 1080794111 /nfs/dbraw/zinc/79/41/11/1080794111.db2.gz SHUWXXJNNUZAIA-UHFFFAOYSA-N 0 3 401.938 2.898 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000807560077 1080815054 /nfs/dbraw/zinc/81/50/54/1080815054.db2.gz LMZMABNDJCVSHQ-UHFFFAOYSA-N 0 3 424.879 2.528 20 0 HFADHN COc1ccc2nc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)[nH]c2n1 ZINC001198219745 1126155117 /nfs/dbraw/zinc/15/51/17/1126155117.db2.gz RTYZWKTXELWASK-GOSISDBHSA-N 0 3 405.296 2.812 20 0 HFADHN COc1ccc(C[C@@](C)(CO)NCc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC001474698114 1126205326 /nfs/dbraw/zinc/20/53/26/1126205326.db2.gz LTNJRCLDGOEHHJ-NRFANRHFSA-N 0 3 402.495 2.916 20 0 HFADHN CN(C)S(=O)(=O)c1ccc(CN[C@](C)(CO)Cc2ccc(Cl)cc2)s1 ZINC001560182173 1126208361 /nfs/dbraw/zinc/20/83/61/1126208361.db2.gz ATNVPBYHHJVRRO-KRWDZBQOSA-N 0 3 402.969 2.735 20 0 HFADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389433 718824880 /nfs/dbraw/zinc/82/48/80/718824880.db2.gz IIIBMZNALAPJRX-IAGOWNOFSA-N 0 3 413.591 2.733 20 0 HFADHN c1cc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729887 720348512 /nfs/dbraw/zinc/34/85/12/720348512.db2.gz YTUBGJSIXNZSMY-RBUKOAKNSA-N 0 3 422.558 2.776 20 0 HFADHN CSc1nc2sccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740841 720630341 /nfs/dbraw/zinc/63/03/41/720630341.db2.gz JLBZXRNZNMAZCP-CHWSQXEVSA-N 0 3 400.533 2.545 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc21 ZINC001164737120 720691346 /nfs/dbraw/zinc/69/13/46/720691346.db2.gz DMOYOSFNLLVTNT-IRXDYDNUSA-N 0 3 419.485 2.543 20 0 HFADHN Cc1ccc(C)c(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164741139 720773258 /nfs/dbraw/zinc/77/32/58/720773258.db2.gz MJSXQVCMJXQPGQ-MOPGFXCFSA-N 0 3 402.502 2.892 20 0 HFADHN CCc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738038 720779639 /nfs/dbraw/zinc/77/96/39/720779639.db2.gz DOLQXZACYIMAPQ-VQTJNVASSA-N 0 3 402.502 2.838 20 0 HFADHN Fc1cccc(F)c1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738239 720781816 /nfs/dbraw/zinc/78/18/16/720781816.db2.gz FGZVOCSWLKDDHZ-LSDHHAIUSA-N 0 3 410.428 2.554 20 0 HFADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752662 720801392 /nfs/dbraw/zinc/80/13/92/720801392.db2.gz ZNURLOZYLNDMLB-IRXDYDNUSA-N 0 3 406.465 2.723 20 0 HFADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752670 720801777 /nfs/dbraw/zinc/80/17/77/720801777.db2.gz ZNURLOZYLNDMLB-SJORKVTESA-N 0 3 406.465 2.723 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866096 721044824 /nfs/dbraw/zinc/04/48/24/721044824.db2.gz CSFLFLVQTSOXFC-ZIAGYGMSSA-N 0 3 402.861 2.625 20 0 HFADHN CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771391 721107047 /nfs/dbraw/zinc/10/70/47/721107047.db2.gz SNEAYXHVNJRNER-IAGOWNOFSA-N 0 3 417.941 2.912 20 0 HFADHN COC(=O)c1ccc2ccnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164764819 721114743 /nfs/dbraw/zinc/11/47/43/721114743.db2.gz IBXVCDASRWVIQM-UXHICEINSA-N 0 3 405.502 2.713 20 0 HFADHN COc1cccc2nc(Cl)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164761658 721147215 /nfs/dbraw/zinc/14/72/15/721147215.db2.gz ACUAETIEKLXFAS-CVEARBPZSA-N 0 3 412.925 2.984 20 0 HFADHN CC1CCN(c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164877650 721148202 /nfs/dbraw/zinc/14/82/02/721148202.db2.gz POKVEQCTTURBDF-NHCUHLMSSA-N 0 3 408.550 2.588 20 0 HFADHN CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762074 721148509 /nfs/dbraw/zinc/14/85/09/721148509.db2.gz BUIVBDYFNYJIQY-DLBZAZTESA-N 0 3 417.941 2.912 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876522 721160355 /nfs/dbraw/zinc/16/03/55/721160355.db2.gz MZWOOWGUOXZKBK-RTWAWAEBSA-N 0 3 402.502 2.722 20 0 HFADHN COC(=O)c1cccc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc21 ZINC001164770814 721225368 /nfs/dbraw/zinc/22/53/68/721225368.db2.gz OOHHQIMOEYBMBA-ROUUACIJSA-N 0 3 405.502 2.713 20 0 HFADHN Cc1nc(C)c(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)s1 ZINC001164761884 721229549 /nfs/dbraw/zinc/22/95/49/721229549.db2.gz JSAONBFECJYINF-ROUUACIJSA-N 0 3 409.563 2.909 20 0 HFADHN CN(Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164890181 721351901 /nfs/dbraw/zinc/35/19/01/721351901.db2.gz ZZAOOJBWKMZRAG-UNMCSNQZSA-N 0 3 406.530 2.653 20 0 HFADHN CN(Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164890179 721352003 /nfs/dbraw/zinc/35/20/03/721352003.db2.gz ZZAOOJBWKMZRAG-RBBKRZOGSA-N 0 3 406.530 2.653 20 0 HFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892508 721417160 /nfs/dbraw/zinc/41/71/60/721417160.db2.gz YPECOUBUILWDML-UUOWRZLLSA-N 0 3 420.561 2.877 20 0 HFADHN CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164896558 721501583 /nfs/dbraw/zinc/50/15/83/721501583.db2.gz IJCRLLRAGMOMIA-HXUWFJFHSA-N 0 3 400.567 2.825 20 0 HFADHN CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164896087 721502290 /nfs/dbraw/zinc/50/22/90/721502290.db2.gz HABSBELLRFDVFD-FQEVSTJZSA-N 0 3 400.567 2.824 20 0 HFADHN Cc1nc(N2CCCC2)cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164808995 721531203 /nfs/dbraw/zinc/53/12/03/721531203.db2.gz SXOWWFDOUQVAFW-SXWKCWPCSA-N 0 3 408.550 2.648 20 0 HFADHN CC(C)c1nc(N(C)C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911539 721541928 /nfs/dbraw/zinc/54/19/28/721541928.db2.gz XCOTXHYAYHONDB-SJLPKXTDSA-N 0 3 400.502 2.542 20 0 HFADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164811241 721589675 /nfs/dbraw/zinc/58/96/75/721589675.db2.gz WXJPDZHIWDMDBO-YTFSRNRJSA-N 0 3 407.562 2.941 20 0 HFADHN Cc1nc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2n1C ZINC001164964084 722056256 /nfs/dbraw/zinc/05/62/56/722056256.db2.gz RHPCTYGNERFWNA-UHFFFAOYSA-N 0 3 406.534 2.791 20 0 HFADHN CS(=O)(=O)N1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]2c2ccccc21 ZINC001164972356 722091045 /nfs/dbraw/zinc/09/10/45/722091045.db2.gz GHTMCDMOJWQEKL-QUCCMNQESA-N 0 3 412.559 2.677 20 0 HFADHN CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980802 722101954 /nfs/dbraw/zinc/10/19/54/722101954.db2.gz KKUOAIRNOXGEPC-BWQMBOKRSA-N 0 3 422.529 2.780 20 0 HFADHN COC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985883 722102765 /nfs/dbraw/zinc/10/27/65/722102765.db2.gz XLAHKDARRWYHCX-AEFFLSMTSA-N 0 3 416.909 2.644 20 0 HFADHN COc1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164986414 722106577 /nfs/dbraw/zinc/10/65/77/722106577.db2.gz YZQQRRCAQZHYEV-AVRDEDQJSA-N 0 3 405.502 2.761 20 0 HFADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CSC2 ZINC001164982737 722108895 /nfs/dbraw/zinc/10/88/95/722108895.db2.gz XUTALWWDVLBPBJ-YJBOKZPZSA-N 0 3 417.966 2.999 20 0 HFADHN Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983179 722109651 /nfs/dbraw/zinc/10/96/51/722109651.db2.gz YKNXANYCPDLHQO-SJLPKXTDSA-N 0 3 412.925 2.744 20 0 HFADHN Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983176 722109744 /nfs/dbraw/zinc/10/97/44/722109744.db2.gz YKNXANYCPDLHQO-FUHWJXTLSA-N 0 3 412.925 2.744 20 0 HFADHN Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983181 722109781 /nfs/dbraw/zinc/10/97/81/722109781.db2.gz YKNXANYCPDLHQO-WMZOPIPTSA-N 0 3 412.925 2.744 20 0 HFADHN COc1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975620 722118563 /nfs/dbraw/zinc/11/85/63/722118563.db2.gz KBOINCRWEJDADR-AVRDEDQJSA-N 0 3 405.502 2.761 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@@H]3C2)c1 ZINC001164978153 722125670 /nfs/dbraw/zinc/12/56/70/722125670.db2.gz NPNZLRSQECQLDM-RTWAWAEBSA-N 0 3 402.502 2.661 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000790537274 1078053308 /nfs/dbraw/zinc/05/33/08/1078053308.db2.gz CKHIPTAFUUSJDI-LJQANCHMSA-N 0 3 400.523 2.831 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793042658 1078054306 /nfs/dbraw/zinc/05/43/06/1078054306.db2.gz PWVHDAHFJLEWDK-INIZCTEOSA-N 0 3 401.898 2.582 20 0 HFADHN C[C@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793045170 1078055155 /nfs/dbraw/zinc/05/51/55/1078055155.db2.gz WPRSHEKTUULJQA-AZUAARDMSA-N 0 3 414.550 2.985 20 0 HFADHN C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H](c1ccccc1)N(C)C ZINC000793050290 1078056531 /nfs/dbraw/zinc/05/65/31/1078056531.db2.gz MDMPLHZAIMWLQV-MLGOLLRUSA-N 0 3 405.296 2.590 20 0 HFADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)N(C)C ZINC000793059227 1078068953 /nfs/dbraw/zinc/06/89/53/1078068953.db2.gz WPUXJUFWRQQGKH-GUYCJALGSA-N 0 3 419.323 2.899 20 0 HFADHN COCCOC1CCC(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC1 ZINC000793126954 1078072743 /nfs/dbraw/zinc/07/27/43/1078072743.db2.gz FXGOKOMBVFHJIX-UHFFFAOYSA-N 0 3 404.551 2.998 20 0 HFADHN C[C@H](COC(=O)c1ccc2cncn2c1)O[C@H](C)COC(=O)c1ccc2cncn2c1 ZINC000793280936 1078126635 /nfs/dbraw/zinc/12/66/35/1078126635.db2.gz YQAAIQWWOQJHRE-HZPDHXFCSA-N 0 3 422.441 2.789 20 0 HFADHN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000793379152 1078154107 /nfs/dbraw/zinc/15/41/07/1078154107.db2.gz FENFOPPLQDXCHF-XXTHSBEZSA-N 0 3 409.530 2.733 20 0 HFADHN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000790896542 1078175479 /nfs/dbraw/zinc/17/54/79/1078175479.db2.gz QJTXRCNLIPPJCM-OALUTQOASA-N 0 3 402.539 2.928 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514442 1078196723 /nfs/dbraw/zinc/19/67/23/1078196723.db2.gz CVAWFIOCISTDEO-ROUUACIJSA-N 0 3 403.523 2.671 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515353 1078197336 /nfs/dbraw/zinc/19/73/36/1078197336.db2.gz DOPPYYYXTYEVEN-RTWAWAEBSA-N 0 3 411.502 2.998 20 0 HFADHN COC(=O)c1ccc(CNCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1 ZINC000793606237 1078222980 /nfs/dbraw/zinc/22/29/80/1078222980.db2.gz JUZJWBZRDZBQHY-HSZRJFAPSA-N 0 3 407.470 2.988 20 0 HFADHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000793709689 1078260243 /nfs/dbraw/zinc/26/02/43/1078260243.db2.gz PEWRLZXZRIFLHP-NRSPTQNISA-N 0 3 401.551 2.570 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(COc2ccccc2)c1)N1CCCCC1 ZINC000793714627 1078262613 /nfs/dbraw/zinc/26/26/13/1078262613.db2.gz QNYOTVNZYTUXCZ-IBGZPJMESA-N 0 3 409.530 2.872 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000793715507 1078263010 /nfs/dbraw/zinc/26/30/10/1078263010.db2.gz ZIQSQGPCZWJEQO-WBVHZDCISA-N 0 3 400.548 2.950 20 0 HFADHN Cc1nc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000793718017 1078263836 /nfs/dbraw/zinc/26/38/36/1078263836.db2.gz ABYIZEYULMOQRM-CQSZACIVSA-N 0 3 418.925 2.910 20 0 HFADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793726983 1078268080 /nfs/dbraw/zinc/26/80/80/1078268080.db2.gz UXZQCQZLVWLBML-GOTSBHOMSA-N 0 3 423.557 2.560 20 0 HFADHN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)n1 ZINC000793698461 1078272530 /nfs/dbraw/zinc/27/25/30/1078272530.db2.gz JPWZJVFRNNMNTJ-HXUWFJFHSA-N 0 3 423.561 2.613 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)N1CCCCC1 ZINC000793706362 1078276281 /nfs/dbraw/zinc/27/62/81/1078276281.db2.gz CABCOOVTJNZSPM-HUUCEWRRSA-N 0 3 415.456 2.796 20 0 HFADHN COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)NC[C@@H](C)N4CCCCC4)CC3)c2c1 ZINC000793708088 1078277281 /nfs/dbraw/zinc/27/72/81/1078277281.db2.gz IFMMDQIEZUHKQE-QGZVFWFLSA-N 0 3 424.545 2.783 20 0 HFADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793878816 1078322130 /nfs/dbraw/zinc/32/21/30/1078322130.db2.gz QFIQHPSYZJNBKJ-NRFANRHFSA-N 0 3 414.594 2.670 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793977393 1078350727 /nfs/dbraw/zinc/35/07/27/1078350727.db2.gz XLVWLESEAWJIHC-KSZLIROESA-N 0 3 409.571 2.734 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978685 1078350907 /nfs/dbraw/zinc/35/09/07/1078350907.db2.gz BHUXSBXWQFQVSI-UFYCRDLUSA-N 0 3 424.545 2.815 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001170448845 1078460026 /nfs/dbraw/zinc/46/00/26/1078460026.db2.gz DTPBLGKDYNNAHD-IBGZPJMESA-N 0 3 409.534 2.949 20 0 HFADHN Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@H]3COC(=O)N(C)C)CC2)c1 ZINC000804659863 1078497920 /nfs/dbraw/zinc/49/79/20/1078497920.db2.gz MRHWADHJLOGVFB-NRFANRHFSA-N 0 3 416.566 2.586 20 0 HFADHN CCN1CCN(CC(C)(C)NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001129807554 1078505240 /nfs/dbraw/zinc/50/52/40/1078505240.db2.gz DQUDAVOMVVCFNG-UHFFFAOYSA-N 0 3 417.529 2.731 20 0 HFADHN CC(=O)c1ccc(NC[C@@]2(C)CCN(Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804684209 1078524781 /nfs/dbraw/zinc/52/47/81/1078524781.db2.gz WGTPAXCZODBNKW-OAQYLSRUSA-N 0 3 401.532 2.861 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000804496011 1078552214 /nfs/dbraw/zinc/55/22/14/1078552214.db2.gz UKORGUGWSRVMGU-UONOGXRCSA-N 0 3 407.563 2.675 20 0 HFADHN COCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C1CCN(C)CC1 ZINC001129599704 1078573747 /nfs/dbraw/zinc/57/37/47/1078573747.db2.gz IJSIVCPVAQSEAY-IBGZPJMESA-N 0 3 401.551 2.616 20 0 HFADHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H]3CCCN3C)cc2)C1 ZINC001129906027 1078578041 /nfs/dbraw/zinc/57/80/41/1078578041.db2.gz VFBMMLPCCQCJTC-LMMKCTJWSA-N 0 3 407.580 2.519 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000804945865 1078772735 /nfs/dbraw/zinc/77/27/35/1078772735.db2.gz UGNVXCYFAWDLOR-HSZRJFAPSA-N 0 3 410.562 2.529 20 0 HFADHN COC1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074813 1078906516 /nfs/dbraw/zinc/90/65/16/1078906516.db2.gz QBBZJFKOIDQMKR-WBWZNMHFSA-N 0 3 401.551 2.892 20 0 HFADHN O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000805075255 1078907300 /nfs/dbraw/zinc/90/73/00/1078907300.db2.gz VNCJEXQFSHMMLS-VAMGGRTRSA-N 0 3 407.942 2.970 20 0 HFADHN COC[C@H](C)n1c(SCC(=O)N(C)C[C@H]2CCCN2C)nnc1-c1ccccc1 ZINC001130097847 1078948101 /nfs/dbraw/zinc/94/81/01/1078948101.db2.gz GWUNIOXBKJSMFE-FUHWJXTLSA-N 0 3 417.579 2.797 20 0 HFADHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001130099495 1078949906 /nfs/dbraw/zinc/94/99/06/1078949906.db2.gz VKHJMHOJQFYNCN-HXUWFJFHSA-N 0 3 421.607 2.890 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000747232077 1078956530 /nfs/dbraw/zinc/95/65/30/1078956530.db2.gz QZQAAUHDJBMNHZ-SJBKTWHCSA-N 0 3 406.482 2.734 20 0 HFADHN CNC(=O)c1cncc(/C=C/C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001130257195 1079146266 /nfs/dbraw/zinc/14/62/66/1079146266.db2.gz MUCAZIMHHFPKIK-DGSRBQDKSA-N 0 3 406.530 2.966 20 0 HFADHN CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001130360330 1079230071 /nfs/dbraw/zinc/23/00/71/1079230071.db2.gz VNNZWIIROVNSTR-UHFFFAOYSA-N 0 3 413.522 2.537 20 0 HFADHN CS(=O)(=O)CCCOc1cccc2c1CC[C@H]2OC(=O)C1CCN(C2CC2)CC1 ZINC000805888168 1079339744 /nfs/dbraw/zinc/33/97/44/1079339744.db2.gz LSQKFWQJSGCPFU-OAQYLSRUSA-N 0 3 421.559 2.905 20 0 HFADHN COc1cc([C@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1SC(F)F ZINC000806171321 1079462901 /nfs/dbraw/zinc/46/29/01/1079462901.db2.gz YOLBCCSSETWIEM-GXTWGEPZSA-N 0 3 423.551 2.931 20 0 HFADHN COc1cc([C@@H](C)NC[C@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179030 1079498454 /nfs/dbraw/zinc/49/84/54/1079498454.db2.gz NYBBFLLWCUJKMD-IUODEOHRSA-N 0 3 400.447 2.513 20 0 HFADHN COc1cc([C@H](C)NC[C@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179031 1079498522 /nfs/dbraw/zinc/49/85/22/1079498522.db2.gz NYBBFLLWCUJKMD-SWLSCSKDSA-N 0 3 400.447 2.513 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787332479 1076744769 /nfs/dbraw/zinc/74/47/69/1076744769.db2.gz LNDJXQIMLBDQKC-AOIWGVFYSA-N 0 3 424.586 2.527 20 0 HFADHN COc1cccc2[nH]cc(CCNC(=O)N3CCN(C4CCOCC4)C[C@H]3C)c21 ZINC000787310731 1076757066 /nfs/dbraw/zinc/75/70/66/1076757066.db2.gz PBFGRAXGTDTFJY-MRXNPFEDSA-N 0 3 400.523 2.614 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)[nH]n2)C1 ZINC000787313325 1076758953 /nfs/dbraw/zinc/75/89/53/1076758953.db2.gz AFGROPSXHGJQGZ-HZPDHXFCSA-N 0 3 414.510 2.808 20 0 HFADHN CCN1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347024 1076788373 /nfs/dbraw/zinc/78/83/73/1076788373.db2.gz RYPRBDSIJFBROL-HOTGVXAUSA-N 0 3 405.543 2.738 20 0 HFADHN C[C@H](CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCCC1 ZINC000787611719 1076878399 /nfs/dbraw/zinc/87/83/99/1076878399.db2.gz VSUZPIZNGQTDTM-XLIONFOSSA-N 0 3 420.985 2.584 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000787674211 1076889612 /nfs/dbraw/zinc/88/96/12/1076889612.db2.gz TUZUDKZFCSCRMS-IBGZPJMESA-N 0 3 421.541 2.795 20 0 HFADHN C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674491 1076890094 /nfs/dbraw/zinc/89/00/94/1076890094.db2.gz HRILGBLJYYYGTJ-KGLIPLIRSA-N 0 3 401.429 2.611 20 0 HFADHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689653 1076913486 /nfs/dbraw/zinc/91/34/86/1076913486.db2.gz MHZVNPJJWQLVOZ-NMNUPHIUSA-N 0 3 408.546 2.885 20 0 HFADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000787700967 1076917925 /nfs/dbraw/zinc/91/79/25/1076917925.db2.gz REEPYZVHJRXTSS-UHFFFAOYSA-N 0 3 407.518 2.675 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718718 1076925217 /nfs/dbraw/zinc/92/52/17/1076925217.db2.gz SYSTZIMBFOVXSN-VGOFRKELSA-N 0 3 415.538 2.669 20 0 HFADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751927 1076927046 /nfs/dbraw/zinc/92/70/46/1076927046.db2.gz QTTXTPBRDDJRPY-JXFKEZNVSA-N 0 3 421.969 2.603 20 0 HFADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)N1CCCCC1 ZINC000787871573 1076967999 /nfs/dbraw/zinc/96/79/99/1076967999.db2.gz BRFKRWYMGVZOKZ-MOPGFXCFSA-N 0 3 424.545 2.828 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000787891246 1076980133 /nfs/dbraw/zinc/98/01/33/1076980133.db2.gz WWFCZWRGXZZPIE-CQSZACIVSA-N 0 3 401.898 2.719 20 0 HFADHN CCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1OC ZINC000787867841 1076987672 /nfs/dbraw/zinc/98/76/72/1076987672.db2.gz FRDSUQGJNHHQJZ-DLBZAZTESA-N 0 3 405.539 2.652 20 0 HFADHN CCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1OC ZINC000787867844 1076987747 /nfs/dbraw/zinc/98/77/47/1076987747.db2.gz FRDSUQGJNHHQJZ-SJORKVTESA-N 0 3 405.539 2.652 20 0 HFADHN CC1(C(=O)OCCNS(=O)(=O)c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000772709038 1077005374 /nfs/dbraw/zinc/00/53/74/1077005374.db2.gz FKERJPYUFZBLIU-UHFFFAOYSA-N 0 3 416.543 2.810 20 0 HFADHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994198 1077021671 /nfs/dbraw/zinc/02/16/71/1077021671.db2.gz ACCRGWOXMXQZKP-DJIMGWMZSA-N 0 3 414.474 2.559 20 0 HFADHN NC(=O)c1c(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995926 1077022841 /nfs/dbraw/zinc/02/28/41/1077022841.db2.gz OBWONSKKUHAKFK-VHSSKADRSA-N 0 3 403.548 2.602 20 0 HFADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995969 1077022945 /nfs/dbraw/zinc/02/29/45/1077022945.db2.gz PFIGDOWCBGOJKB-HKUYNNGSSA-N 0 3 408.502 2.690 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000788035416 1077035567 /nfs/dbraw/zinc/03/55/67/1077035567.db2.gz SRGFNDFKPDXOLG-MQCDJQTNSA-N 0 3 402.539 2.887 20 0 HFADHN O=C1C(=O)N(CN2CC[C@H](N3CCCC3)C2)c2ccc(Br)c(Cl)c21 ZINC000788046212 1077040314 /nfs/dbraw/zinc/04/03/14/1077040314.db2.gz KAZJJZZJTLSENB-NSHDSACASA-N 0 3 412.715 2.759 20 0 HFADHN CCN1CCN(Cc2ccccc2CNC(=O)CC2CCC3(CC2)OCCO3)CC1 ZINC000788158467 1077071267 /nfs/dbraw/zinc/07/12/67/1077071267.db2.gz FJUFGKHMOONPRN-UHFFFAOYSA-N 0 3 415.578 2.764 20 0 HFADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCc2ccc(-c3ccccc3)cc2)CCSC1 ZINC000788240598 1077084763 /nfs/dbraw/zinc/08/47/63/1077084763.db2.gz DAUXUNCOQNKMKO-HSZRJFAPSA-N 0 3 411.571 2.566 20 0 HFADHN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000788252679 1077087244 /nfs/dbraw/zinc/08/72/44/1077087244.db2.gz PWHBMSHWSFLCQZ-GOSISDBHSA-N 0 3 417.497 2.607 20 0 HFADHN COc1ccc([C@@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)N2CCCC2)cc1 ZINC000788260776 1077088386 /nfs/dbraw/zinc/08/83/86/1077088386.db2.gz HFLVYPXCRBRRKX-VQIMIIECSA-N 0 3 410.522 2.525 20 0 HFADHN Cc1cccc(N2CCN(CCCCNC(=O)C(F)(F)C3(O)CCCC3)CC2)c1 ZINC000788281973 1077097094 /nfs/dbraw/zinc/09/70/94/1077097094.db2.gz OFSJQLYNYGNPNX-UHFFFAOYSA-N 0 3 409.521 2.954 20 0 HFADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(F)(F)C1(O)CCCC1 ZINC000788282521 1077097314 /nfs/dbraw/zinc/09/73/14/1077097314.db2.gz JFLUJNKNQWPMCT-UHFFFAOYSA-N 0 3 409.521 2.641 20 0 HFADHN C[C@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000772720147 1077155018 /nfs/dbraw/zinc/15/50/18/1077155018.db2.gz ZWLYYYLLYUXOGK-INIZCTEOSA-N 0 3 403.523 2.845 20 0 HFADHN COc1ccc([C@@H](CNc2ccnc(C(=O)N3CCCCC3)c2)N(C)C)cc1OC ZINC000788450787 1077163737 /nfs/dbraw/zinc/16/37/37/1077163737.db2.gz YUEHAGTYLQAHQR-HXUWFJFHSA-N 0 3 412.534 2.862 20 0 HFADHN COc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cnc1Br ZINC000788453538 1077164812 /nfs/dbraw/zinc/16/48/12/1077164812.db2.gz NXNFOGJUYKNMTD-CYBMUJFWSA-N 0 3 406.280 2.822 20 0 HFADHN O=C(CC1CCC2(CC1)OCCO2)NCc1ccccc1CN1CCC(O)CC1 ZINC000788510931 1077187000 /nfs/dbraw/zinc/18/70/00/1077187000.db2.gz FZNYVNIVAADQGA-UHFFFAOYSA-N 0 3 402.535 2.583 20 0 HFADHN CCOC(=O)[C@H]1[C@@H](NCc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641154 1077243517 /nfs/dbraw/zinc/24/35/17/1077243517.db2.gz VMZZGLVTYTTWQW-RBUKOAKNSA-N 0 3 414.506 2.903 20 0 HFADHN CN1CCN(Cc2ccc(CNC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000788642899 1077244815 /nfs/dbraw/zinc/24/48/15/1077244815.db2.gz GAQQLZVTAGBKLF-UHFFFAOYSA-N 0 3 409.353 2.583 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000788643503 1077245075 /nfs/dbraw/zinc/24/50/75/1077245075.db2.gz FXDCYIIBHOBPCA-MSOLQXFVSA-N 0 3 423.579 2.911 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)c1Cl ZINC000788657664 1077255898 /nfs/dbraw/zinc/25/58/98/1077255898.db2.gz JJBDMDYZEFUAHP-LLVKDONJSA-N 0 3 408.973 2.847 20 0 HFADHN C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788660079 1077256576 /nfs/dbraw/zinc/25/65/76/1077256576.db2.gz AEJHJGURASDAFB-HZPDHXFCSA-N 0 3 411.568 2.767 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000790967430 1077257443 /nfs/dbraw/zinc/25/74/43/1077257443.db2.gz FPZWVOZUVDGWFP-HXUWFJFHSA-N 0 3 410.518 2.836 20 0 HFADHN CCN(CC)C(=O)C1CCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000746761605 1077281170 /nfs/dbraw/zinc/28/11/70/1077281170.db2.gz CPTKGTIQFIMZOJ-UHFFFAOYSA-N 0 3 415.582 2.941 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCC[C@](C)(O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788768360 1077282282 /nfs/dbraw/zinc/28/22/82/1077282282.db2.gz ZJRLSALKQBEKAA-SPEDKVCISA-N 0 3 406.523 2.815 20 0 HFADHN C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)N(C)Cc1ccccc1 ZINC000788787819 1077304184 /nfs/dbraw/zinc/30/41/84/1077304184.db2.gz SURQQXDDCFGHNP-KNQAVFIVSA-N 0 3 408.546 2.949 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821636 1077309529 /nfs/dbraw/zinc/30/95/29/1077309529.db2.gz YCEUBAUWQFIYTH-QRVBRYPASA-N 0 3 406.523 2.868 20 0 HFADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788826020 1077311187 /nfs/dbraw/zinc/31/11/87/1077311187.db2.gz NPIINJHAXHEDJD-DENIHFKCSA-N 0 3 408.546 2.949 20 0 HFADHN COC(=O)c1cn(C2CCN(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)nn1 ZINC000788850979 1077319887 /nfs/dbraw/zinc/31/98/87/1077319887.db2.gz AABDCXPKUUMPQY-HNNXBMFYSA-N 0 3 409.531 2.641 20 0 HFADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000791214691 1077346768 /nfs/dbraw/zinc/34/67/68/1077346768.db2.gz LQEVDVHNHUDNDR-MRXNPFEDSA-N 0 3 415.481 2.770 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000791346133 1077381075 /nfs/dbraw/zinc/38/10/75/1077381075.db2.gz LKWCKIJHULDRNA-UHFFFAOYSA-N 0 3 424.545 2.533 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)N1CCCCC1 ZINC000746786678 1077407321 /nfs/dbraw/zinc/40/73/21/1077407321.db2.gz KLXLGJWUBGOCEJ-MRXNPFEDSA-N 0 3 414.481 2.729 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000747015140 1077423460 /nfs/dbraw/zinc/42/34/60/1077423460.db2.gz SLJRVNVAMFTMLL-FQEVSTJZSA-N 0 3 406.530 2.783 20 0 HFADHN COC(=O)CC1(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)CCCC1 ZINC000791583137 1077471205 /nfs/dbraw/zinc/47/12/05/1077471205.db2.gz LIGSNRJTZCRHPB-UHFFFAOYSA-N 0 3 413.474 2.614 20 0 HFADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792910 1077484460 /nfs/dbraw/zinc/48/44/60/1077484460.db2.gz JEKXDVUGSCITLI-UHFFFAOYSA-N 0 3 419.476 2.805 20 0 HFADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746794053 1077487339 /nfs/dbraw/zinc/48/73/39/1077487339.db2.gz QOJFUAFKXMSVKW-UHFFFAOYSA-N 0 3 411.550 2.960 20 0 HFADHN O=C1NC2(CCCC2)C(=O)N1CCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789311469 1077509859 /nfs/dbraw/zinc/50/98/59/1077509859.db2.gz KXXTWOLANCLJOU-UHFFFAOYSA-N 0 3 406.914 2.690 20 0 HFADHN O=C(CN1CCc2ccccc2C1=O)O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000789461706 1077583168 /nfs/dbraw/zinc/58/31/68/1077583168.db2.gz DUKYIZNUNRUCLU-JOCHJYFZSA-N 0 3 404.510 2.991 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c2)CC1 ZINC000791866047 1077591992 /nfs/dbraw/zinc/59/19/92/1077591992.db2.gz PKYKCVDZQFYISA-MRXNPFEDSA-N 0 3 405.543 2.863 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000791979469 1077620067 /nfs/dbraw/zinc/62/00/67/1077620067.db2.gz ICPKUDFSWDYUHL-AVRDEDQJSA-N 0 3 402.498 2.883 20 0 HFADHN CCn1c(=O)[nH]c2cc(C(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@@H]43)ccc2c1=O ZINC000791979952 1077621262 /nfs/dbraw/zinc/62/12/62/1077621262.db2.gz PZGSFFPMXVTUCJ-RXVVDRJESA-N 0 3 418.497 2.879 20 0 HFADHN CCc1nc(C(=O)OCCCN2CCN(C(C)C)CC2)nn1-c1ccccc1F ZINC000791951061 1077627312 /nfs/dbraw/zinc/62/73/12/1077627312.db2.gz BEJNBZYBIKSGNO-UHFFFAOYSA-N 0 3 403.502 2.542 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000792106020 1077699565 /nfs/dbraw/zinc/69/95/65/1077699565.db2.gz RHHUFZZECAKUOC-UHFFFAOYSA-N 0 3 400.976 2.970 20 0 HFADHN CSCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000792231892 1077754615 /nfs/dbraw/zinc/75/46/15/1077754615.db2.gz QBRUNFODEUEIAD-QGZVFWFLSA-N 0 3 406.596 2.722 20 0 HFADHN CC(C)(C)OC(=O)NC(C)(C)c1noc([C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000789767003 1077768973 /nfs/dbraw/zinc/76/89/73/1077768973.db2.gz DXTAEOFZLVHVJH-NRFANRHFSA-N 0 3 402.495 2.923 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789752184 1077782912 /nfs/dbraw/zinc/78/29/12/1077782912.db2.gz ODUGEAKYHJADGK-QGZVFWFLSA-N 0 3 415.925 2.890 20 0 HFADHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000792257371 1077783267 /nfs/dbraw/zinc/78/32/67/1077783267.db2.gz KQKZAAYZQUMERW-CQSZACIVSA-N 0 3 414.497 2.951 20 0 HFADHN O=C(NC[C@@H](O)c1cccc(F)c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792276977 1077790912 /nfs/dbraw/zinc/79/09/12/1077790912.db2.gz MVYQIGKZCKIRIB-OFLPRAFFSA-N 0 3 403.420 2.964 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)c1 ZINC000792302560 1077796813 /nfs/dbraw/zinc/79/68/13/1077796813.db2.gz SDDOBFVAEKHSCS-UHFFFAOYSA-N 0 3 414.506 2.924 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000789830135 1077811581 /nfs/dbraw/zinc/81/15/81/1077811581.db2.gz NAELPEPYTFEHBD-LEWJYISDSA-N 0 3 413.518 2.570 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000789830139 1077811685 /nfs/dbraw/zinc/81/16/85/1077811685.db2.gz NAELPEPYTFEHBD-SFTDATJTSA-N 0 3 413.518 2.570 20 0 HFADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1cc2n[nH]nc2cc1F ZINC000789819330 1077826273 /nfs/dbraw/zinc/82/62/73/1077826273.db2.gz RQZZNEPUYURSOP-HNNXBMFYSA-N 0 3 405.437 2.993 20 0 HFADHN COC(=O)c1ccc(OC(F)F)c(N(C(=N)N)c2ccc(N3CCOCC3)cc2)c1 ZINC001170165816 1077833911 /nfs/dbraw/zinc/83/39/11/1077833911.db2.gz IHIYVOSVGODDAE-UHFFFAOYSA-N 0 3 420.416 2.943 20 0 HFADHN CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000792508673 1077896708 /nfs/dbraw/zinc/89/67/08/1077896708.db2.gz GZWDHGGMHIPKGP-QGZVFWFLSA-N 0 3 404.555 2.860 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](C)C1 ZINC000790031157 1077903575 /nfs/dbraw/zinc/90/35/75/1077903575.db2.gz FHYUWJQBHBMCJT-UXHICEINSA-N 0 3 414.594 2.572 20 0 HFADHN CC[C@@H]1C[C@@H](n2cncc2C[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194069 1077911235 /nfs/dbraw/zinc/91/12/35/1077911235.db2.gz URAXYOMGRQTJGI-HQRMLTQVSA-N 0 3 424.501 2.937 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)Nc3nncs3)cc2)cc1 ZINC000790019079 1077915854 /nfs/dbraw/zinc/91/58/54/1077915854.db2.gz PIJJBPYBPKQRMY-UHFFFAOYSA-N 0 3 418.500 2.620 20 0 HFADHN CC[C@@H]1C[C@H](N2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224198 1077916805 /nfs/dbraw/zinc/91/68/05/1077916805.db2.gz UITSCTRZWRPBLP-CZAYHTPWSA-N 0 3 402.535 2.702 20 0 HFADHN O=C(NC1CCN(C2CCCCC2)CC1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000746874407 1077927810 /nfs/dbraw/zinc/92/78/10/1077927810.db2.gz LMLGAZUNYFGKQO-UHFFFAOYSA-N 0 3 419.469 2.902 20 0 HFADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000790050054 1077930538 /nfs/dbraw/zinc/93/05/38/1077930538.db2.gz XDPREGDYUVSXQT-DOTOQJQBSA-N 0 3 411.568 2.672 20 0 HFADHN C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114379 1077942290 /nfs/dbraw/zinc/94/22/90/1077942290.db2.gz QAJNQMWSYTXDJV-GOEBONIOSA-N 0 3 403.556 2.903 20 0 HFADHN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249827 1077976823 /nfs/dbraw/zinc/97/68/23/1077976823.db2.gz KYTXOOMSOOWGDO-IUODEOHRSA-N 0 3 413.448 2.672 20 0 HFADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCC1CCC2(CC1)OCCO2 ZINC000792731618 1077989938 /nfs/dbraw/zinc/98/99/38/1077989938.db2.gz RMOAGQOJVKRGIU-UHFFFAOYSA-N 0 3 416.566 2.626 20 0 HFADHN O=C1[C@H](NC2(c3cccc(Br)c3)CCOCC2)CCN1C1CCOCC1 ZINC000790311435 1077994172 /nfs/dbraw/zinc/99/41/72/1077994172.db2.gz NCQGERCKCIBRAJ-GOSISDBHSA-N 0 3 423.351 2.824 20 0 HFADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc2c(c1)sc(=O)n2C ZINC000792810873 1078001532 /nfs/dbraw/zinc/00/15/32/1078001532.db2.gz CAINFIXORQWRSD-UHFFFAOYSA-N 0 3 420.579 2.585 20 0 HFADHN CCn1c(CNC(=S)NC2CCN(C)CC2)nc2cc(Br)ccc21 ZINC000790354397 1078002640 /nfs/dbraw/zinc/00/26/40/1078002640.db2.gz DYVKYPONJWEPTR-UHFFFAOYSA-N 0 3 410.385 2.877 20 0 HFADHN COCCN(Cc1sccc1Br)C(=S)NC1CCN(C)CC1 ZINC000790354416 1078002667 /nfs/dbraw/zinc/00/26/67/1078002667.db2.gz UHMRTNJXNCXZFC-UHFFFAOYSA-N 0 3 406.415 2.928 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)CC1 ZINC000792843295 1078013005 /nfs/dbraw/zinc/01/30/05/1078013005.db2.gz YBDOUTLCDSGHRC-UHFFFAOYSA-N 0 3 419.529 2.937 20 0 HFADHN Fc1cc(F)c(N2CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)nc1F ZINC000792880294 1078016298 /nfs/dbraw/zinc/01/62/98/1078016298.db2.gz CUYMUWGVQJAGCL-GOSISDBHSA-N 0 3 420.479 2.912 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cn1 ZINC000790420175 1078022311 /nfs/dbraw/zinc/02/23/11/1078022311.db2.gz GSQDMQHAALHSKF-RBDMOPTHSA-N 0 3 411.550 2.773 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 ZINC000790452918 1078036132 /nfs/dbraw/zinc/03/61/32/1078036132.db2.gz RMWLQYPJSMQDMO-HXUWFJFHSA-N 0 3 405.539 2.844 20 0 HFADHN O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000747094540 1078036322 /nfs/dbraw/zinc/03/63/22/1078036322.db2.gz DCPJXADYMWSTAB-GHTZIAJQSA-N 0 3 424.501 2.648 20 0 HFADHN Cc1ccc2c(c1)CCN(CN1C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C1=O)C2 ZINC000790453481 1078036416 /nfs/dbraw/zinc/03/64/16/1078036416.db2.gz XMZNUQWSHVVGPK-VWLOTQADSA-N 0 3 418.541 2.897 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988082 1078041927 /nfs/dbraw/zinc/04/19/27/1078041927.db2.gz WPEOYJXNSSWJGH-IIBYNOLFSA-N 0 3 413.559 2.738 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000806254050 1079522259 /nfs/dbraw/zinc/52/22/59/1079522259.db2.gz YLSTUEXFDXOKIQ-NHCUHLMSSA-N 0 3 401.551 2.651 20 0 HFADHN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc3ccccc3)C1)CCC2 ZINC000806299384 1079552351 /nfs/dbraw/zinc/55/23/51/1079552351.db2.gz XZDASHJSVGLVKL-SFTDATJTSA-N 0 3 423.561 2.691 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324675 1079593053 /nfs/dbraw/zinc/59/30/53/1079593053.db2.gz CXMDKHVGQSFAGC-UXHICEINSA-N 0 3 403.486 2.527 20 0 HFADHN Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H]4CN5CCC[C@@H]5CO4)c3)cn2c1 ZINC000747326639 1079631373 /nfs/dbraw/zinc/63/13/73/1079631373.db2.gz TYQHMUDCIIJBAG-IFMALSPDSA-N 0 3 420.513 2.815 20 0 HFADHN CCN1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC)c2)CC1 ZINC000806430824 1079677420 /nfs/dbraw/zinc/67/74/20/1079677420.db2.gz BVPOEWMUIFQYNC-LJQANCHMSA-N 0 3 403.527 2.571 20 0 HFADHN COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806465160 1079736307 /nfs/dbraw/zinc/73/63/07/1079736307.db2.gz SWODLHJVGWSYEV-OAQYLSRUSA-N 0 3 421.925 2.614 20 0 HFADHN C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nccn1-c1ccccc1 ZINC000806615688 1079856873 /nfs/dbraw/zinc/85/68/73/1079856873.db2.gz RSXMBAOHVZLHGN-CYBMUJFWSA-N 0 3 402.442 2.837 20 0 HFADHN Cc1cc(I)cc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000806684176 1079912377 /nfs/dbraw/zinc/91/23/77/1079912377.db2.gz RPVCOTYZZDVPQB-HUUCEWRRSA-N 0 3 415.275 2.584 20 0 HFADHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001130732685 1079969835 /nfs/dbraw/zinc/96/98/35/1079969835.db2.gz AVLQKTPYDYVSPR-PDIWNELESA-N 0 3 410.562 2.717 20 0 HFADHN CC(=O)Nc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001130733061 1079971481 /nfs/dbraw/zinc/97/14/81/1079971481.db2.gz IIRFNBQUPOGJMM-DHIUTWEWSA-N 0 3 407.514 2.689 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3cccnc3N3CCCC3)cc2)CC1 ZINC001130741650 1080004708 /nfs/dbraw/zinc/00/47/08/1080004708.db2.gz AOQQPYMATXCMAU-UHFFFAOYSA-N 0 3 423.561 2.950 20 0 HFADHN CN(C)Cc1ccccc1NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747359358 1080032767 /nfs/dbraw/zinc/03/27/67/1080032767.db2.gz IPVYESSMHWXOSI-UHFFFAOYSA-N 0 3 410.518 2.641 20 0 HFADHN O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000807091957 1080270699 /nfs/dbraw/zinc/27/06/99/1080270699.db2.gz MTGQFERXYJTCCK-QFIPXVFZSA-N 0 3 413.562 2.747 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092163 1080272278 /nfs/dbraw/zinc/27/22/78/1080272278.db2.gz SVKZDPGOXXLNPU-VQTJNVASSA-N 0 3 401.551 2.507 20 0 HFADHN CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000807129350 1080295696 /nfs/dbraw/zinc/29/56/96/1080295696.db2.gz CVERVXUBWUTWAS-PKOBYXMFSA-N 0 3 406.527 2.607 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000807123169 1080296209 /nfs/dbraw/zinc/29/62/09/1080296209.db2.gz GEGZJEYHCLSVPQ-YUVVGHDESA-N 0 3 412.534 2.823 20 0 HFADHN COC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000807147575 1080302943 /nfs/dbraw/zinc/30/29/43/1080302943.db2.gz GEBYFLODHJTACC-ZWOKBUDYSA-N 0 3 402.539 2.816 20 0 HFADHN CCN1CCN(c2ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000807233713 1080391957 /nfs/dbraw/zinc/39/19/57/1080391957.db2.gz ZBGWIGAJZKNMEB-VOTSOKGWSA-N 0 3 402.539 2.639 20 0 HFADHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895630 1080432641 /nfs/dbraw/zinc/43/26/41/1080432641.db2.gz UADJQUNRIVEBRJ-CHWSQXEVSA-N 0 3 420.000 2.544 20 0 HFADHN CN(C)C1(CNC(=O)C(=O)N2CCC(c3ccccc3)CC2)Cc2ccccc2C1 ZINC000807298143 1080491718 /nfs/dbraw/zinc/49/17/18/1080491718.db2.gz WEQJJHHSUVQREJ-UHFFFAOYSA-N 0 3 405.542 2.608 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)cc2)CC1 ZINC000807307934 1080500913 /nfs/dbraw/zinc/50/09/13/1080500913.db2.gz IAQVLTLEUMEZSA-UHFFFAOYSA-N 0 3 406.530 2.973 20 0 HFADHN CON(CC(C)(C)C)C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000807359320 1080520075 /nfs/dbraw/zinc/52/00/75/1080520075.db2.gz HOGKFQDLRSWDFF-SFHVURJKSA-N 0 3 413.522 2.705 20 0 HFADHN CON(CC(C)(C)C)C(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000807359318 1080520107 /nfs/dbraw/zinc/52/01/07/1080520107.db2.gz HOGKFQDLRSWDFF-GOSISDBHSA-N 0 3 413.522 2.705 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443535 1080664874 /nfs/dbraw/zinc/66/48/74/1080664874.db2.gz NIVOOHLCDDADPU-KVSKMBFKSA-N 0 3 403.527 2.598 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)c1 ZINC000807556545 1080806357 /nfs/dbraw/zinc/80/63/57/1080806357.db2.gz RGMLKGVBGXCQHO-UHFFFAOYSA-N 0 3 416.953 2.683 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1 ZINC000807557507 1080807746 /nfs/dbraw/zinc/80/77/46/1080807746.db2.gz BVRLRFNVYRGQNB-UHFFFAOYSA-N 0 3 423.344 2.903 20 0 HFADHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC001473839896 1126200158 /nfs/dbraw/zinc/20/01/58/1126200158.db2.gz MDKZAHRWTOMYJM-IBGZPJMESA-N 0 3 420.282 2.679 20 0 HFADHN COc1ccc2nc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)[nH]c2n1 ZINC001559997278 1126207147 /nfs/dbraw/zinc/20/71/47/1126207147.db2.gz RMZTZBOFIAHFQB-LJQANCHMSA-N 0 3 417.307 2.739 20 0 HFADHN Cc1cccc(CN2C(=O)COC3(CCN(c4cc(CN(C)C)ccn4)CC3)[C@@H]2C)n1 ZINC001164427125 718951957 /nfs/dbraw/zinc/95/19/57/718951957.db2.gz AYSFHWGDGLFGQS-IBGZPJMESA-N 0 3 423.561 2.633 20 0 HFADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164634287 719138725 /nfs/dbraw/zinc/13/87/25/719138725.db2.gz UKVDHNMXDGKFGO-INIZCTEOSA-N 0 3 411.836 2.907 20 0 HFADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN(CC(C)C)CC3)nc2N1C1CCCC1 ZINC001164653374 719333451 /nfs/dbraw/zinc/33/34/51/719333451.db2.gz AJKAVGBKPLFSCI-GOSISDBHSA-N 0 3 400.571 2.759 20 0 HFADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(CC(C)C)CC3)c2c1C ZINC000301056634 719337122 /nfs/dbraw/zinc/33/71/22/719337122.db2.gz LBNWXNBDSOBLHU-UHFFFAOYSA-N 0 3 403.596 2.918 20 0 HFADHN c1ccc2nc(N3CCOCC3)c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164721763 720379614 /nfs/dbraw/zinc/37/96/14/720379614.db2.gz AYOWSRYMMGXTMA-YADHBBJMSA-N 0 3 416.529 2.715 20 0 HFADHN CN(Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164836104 720502340 /nfs/dbraw/zinc/50/23/40/720502340.db2.gz MOPAABMQBZAFMU-KSEOMHKRSA-N 0 3 412.578 2.920 20 0 HFADHN CSc1nc2sccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740844 720630653 /nfs/dbraw/zinc/63/06/53/720630653.db2.gz JLBZXRNZNMAZCP-OLZOCXBDSA-N 0 3 400.533 2.545 20 0 HFADHN Fc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738993 720668303 /nfs/dbraw/zinc/66/83/03/720668303.db2.gz LWMCPIZPCJNOPM-OLZOCXBDSA-N 0 3 400.845 2.554 20 0 HFADHN COc1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)nc(Cl)n1 ZINC001164845286 720739806 /nfs/dbraw/zinc/73/98/06/720739806.db2.gz YXZTWLFYXDABDY-UHFFFAOYSA-N 0 3 412.872 2.932 20 0 HFADHN COc1nnc(Cl)cc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844354 720740135 /nfs/dbraw/zinc/74/01/35/720740135.db2.gz QGZUDLQZLHCRKD-UHFFFAOYSA-N 0 3 412.872 2.932 20 0 HFADHN CCN(c1ccccc1)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164744082 720790809 /nfs/dbraw/zinc/79/08/09/720790809.db2.gz HIKJGEZFPXKXDB-VQTJNVASSA-N 0 3 417.517 2.767 20 0 HFADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001164859134 720914571 /nfs/dbraw/zinc/91/45/71/720914571.db2.gz OZAVSSRIDUXKDV-UKPHBRMFSA-N 0 3 404.898 2.725 20 0 HFADHN CCOC(=O)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164869069 721052916 /nfs/dbraw/zinc/05/29/16/721052916.db2.gz RHWBJPBBVITXTL-DLBZAZTESA-N 0 3 416.909 2.786 20 0 HFADHN c1ccc(COc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867125 721062761 /nfs/dbraw/zinc/06/27/61/721062761.db2.gz IHCRXZYOEDFWRL-FCHUYYIVSA-N 0 3 417.513 2.930 20 0 HFADHN CC1(C)OCc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869984 721069738 /nfs/dbraw/zinc/06/97/38/721069738.db2.gz VBMQSTVLWWXUJI-CVEARBPZSA-N 0 3 415.925 2.770 20 0 HFADHN Fc1ncccc1-c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864364 721116907 /nfs/dbraw/zinc/11/69/07/721116907.db2.gz FPBRMEXUAIUDOF-MSOLQXFVSA-N 0 3 406.465 2.552 20 0 HFADHN COC(=O)c1ccc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164871105 721135160 /nfs/dbraw/zinc/13/51/60/721135160.db2.gz DRHYUMSDOHWOBO-FCHUYYIVSA-N 0 3 418.497 2.896 20 0 HFADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164879821 721137535 /nfs/dbraw/zinc/13/75/35/721137535.db2.gz UHOBTLXOCTTXPL-VQTJNVASSA-N 0 3 402.502 2.722 20 0 HFADHN COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768981 721138078 /nfs/dbraw/zinc/13/80/78/721138078.db2.gz OOTFLMHHBBHPPL-HOTGVXAUSA-N 0 3 412.925 2.984 20 0 HFADHN Fc1cccc(-c2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876459 721157650 /nfs/dbraw/zinc/15/76/50/721157650.db2.gz MNKKMEVTEWSMAJ-WOJBJXKFSA-N 0 3 406.465 2.552 20 0 HFADHN COc1cc2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc2cc1OC ZINC001164763458 721158969 /nfs/dbraw/zinc/15/89/69/721158969.db2.gz GBQPUVBUEDHUGR-RTBURBONSA-N 0 3 407.518 2.944 20 0 HFADHN CCOC(=O)c1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1Cl ZINC001164761333 721179375 /nfs/dbraw/zinc/17/93/75/721179375.db2.gz APSJKAYDFQTELY-HZPDHXFCSA-N 0 3 403.914 2.604 20 0 HFADHN CSc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164869308 721188021 /nfs/dbraw/zinc/18/80/21/721188021.db2.gz QFSBUMNRRDXWGD-HOTGVXAUSA-N 0 3 403.577 2.795 20 0 HFADHN COc1ccccc1-c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164762635 721210442 /nfs/dbraw/zinc/21/04/42/721210442.db2.gz DBTCDFITVPVJRV-RBUKOAKNSA-N 0 3 404.518 2.844 20 0 HFADHN COc1cc2nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164768076 721234855 /nfs/dbraw/zinc/23/48/55/721234855.db2.gz XVZICBHFMKWMEA-MSOLQXFVSA-N 0 3 407.518 2.944 20 0 HFADHN COC(=O)c1cc(F)c(C)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909734 721534372 /nfs/dbraw/zinc/53/43/72/721534372.db2.gz RRZAGRBUQHEWNI-RDJZCZTQSA-N 0 3 403.429 2.797 20 0 HFADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)CCN3C2)c1 ZINC001164910233 721545476 /nfs/dbraw/zinc/54/54/76/721545476.db2.gz TVTXTXYRQDWBPX-UKRRQHHQSA-N 0 3 400.845 2.554 20 0 HFADHN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164921128 721836643 /nfs/dbraw/zinc/83/66/43/721836643.db2.gz BWKKSUMTVBUNPK-NZQKXSOJSA-N 0 3 408.550 2.732 20 0 HFADHN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164921126 721836703 /nfs/dbraw/zinc/83/67/03/721836703.db2.gz BWKKSUMTVBUNPK-NFBKMPQASA-N 0 3 408.550 2.732 20 0 HFADHN CCOC(=O)Cc1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164963970 722056072 /nfs/dbraw/zinc/05/60/72/722056072.db2.gz QBXMKCQFDYQOGP-UHFFFAOYSA-N 0 3 424.545 2.701 20 0 HFADHN CSc1nc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977208 722100690 /nfs/dbraw/zinc/10/06/90/722100690.db2.gz FBCNYVLHVSKFNZ-HZPDHXFCSA-N 0 3 405.955 2.974 20 0 HFADHN COC(=O)c1cc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983356 722106007 /nfs/dbraw/zinc/10/60/07/722106007.db2.gz PQMPOTMKZQIIAY-LPHOPBHVSA-N 0 3 416.909 2.644 20 0 HFADHN F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976310 722108140 /nfs/dbraw/zinc/10/81/40/722108140.db2.gz LENXIFHATMFBTC-POAQFYNOSA-N 0 3 406.889 2.985 20 0 HFADHN CCOC(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164981831 722108735 /nfs/dbraw/zinc/10/87/35/722108735.db2.gz VGFWTRAIIUSVPE-PZJWPPBQSA-N 0 3 410.518 2.689 20 0 HFADHN CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164978068 722129488 /nfs/dbraw/zinc/12/94/88/722129488.db2.gz JMXWMOPXQHTLFU-ALUHFNSBSA-N 0 3 422.529 2.780 20 0 HFADHN Cc1noc(-c2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982217 722142112 /nfs/dbraw/zinc/14/21/12/722142112.db2.gz RKYVIPSFJWUWEF-AZUAARDMSA-N 0 3 406.490 2.562 20 0 HFADHN c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)nc1 ZINC001164983882 722148160 /nfs/dbraw/zinc/14/81/60/722148160.db2.gz VYKTVTDETINTRT-SIKLNZKXSA-N 0 3 402.502 2.661 20 0 HFADHN O=C(Nc1cccnc1)c1noc2c1CN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001165001215 722248275 /nfs/dbraw/zinc/24/82/75/722248275.db2.gz ORSOZNRCSVDDFZ-UHFFFAOYSA-N 0 3 404.474 2.875 20 0 HFADHN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000790501010 1078046106 /nfs/dbraw/zinc/04/61/06/1078046106.db2.gz DNBFGJNNINMEAO-IEBWSBKVSA-N 0 3 420.554 2.635 20 0 HFADHN CCOC1CC(CNCc2cnn(Cc3ccccc3)c2Cl)(N2CCOCC2)C1 ZINC000790589923 1078062639 /nfs/dbraw/zinc/06/26/39/1078062639.db2.gz HEPSTDUPNORSRR-UHFFFAOYSA-N 0 3 418.969 2.944 20 0 HFADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N(CCO)Cc1cccnc1Cl ZINC000793023185 1078058627 /nfs/dbraw/zinc/05/86/27/1078058627.db2.gz VYOFYBJGCLOHOB-LJQANCHMSA-N 0 3 402.926 2.904 20 0 HFADHN C[C@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793146813 1078089842 /nfs/dbraw/zinc/08/98/42/1078089842.db2.gz BXYIMPCLEMMZBH-HTAPYJJXSA-N 0 3 400.523 2.737 20 0 HFADHN COc1cnccc1N1CCN(C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000793149535 1078090826 /nfs/dbraw/zinc/09/08/26/1078090826.db2.gz HMBVXUDCPHBEIO-UHFFFAOYSA-N 0 3 421.954 2.904 20 0 HFADHN Cc1cc(C)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1I ZINC000793290811 1078119492 /nfs/dbraw/zinc/11/94/92/1078119492.db2.gz IAFWZSJQCQRUDK-KBPBESRZSA-N 0 3 414.287 2.501 20 0 HFADHN C[C@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790795941 1078136961 /nfs/dbraw/zinc/13/69/61/1078136961.db2.gz BIELOHGUUFGPSN-GOSISDBHSA-N 0 3 418.582 2.966 20 0 HFADHN COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000793379149 1078154075 /nfs/dbraw/zinc/15/40/75/1078154075.db2.gz FENFOPPLQDXCHF-CWKRKGSWSA-N 0 3 409.530 2.733 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514438 1078196697 /nfs/dbraw/zinc/19/66/97/1078196697.db2.gz CVAWFIOCISTDEO-QZTJIDSGSA-N 0 3 403.523 2.671 20 0 HFADHN O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793668897 1078246524 /nfs/dbraw/zinc/24/65/24/1078246524.db2.gz HFYZYYVDWXEVJZ-UHFFFAOYSA-N 0 3 423.561 2.651 20 0 HFADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000793657249 1078259246 /nfs/dbraw/zinc/25/92/46/1078259246.db2.gz NJGIJLQLRAJWEI-HXUWFJFHSA-N 0 3 423.557 2.523 20 0 HFADHN CN(C)C[C@H]1CN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657856 1078259846 /nfs/dbraw/zinc/25/98/46/1078259846.db2.gz NFODGJHRHHWAGC-MAUKXSAKSA-N 0 3 403.523 2.988 20 0 HFADHN COC(=O)[C@H]1CC(=O)N(CN2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)C1 ZINC000793726642 1078268273 /nfs/dbraw/zinc/26/82/73/1078268273.db2.gz YFPRVGXKRIKAIW-VXKWHMMOSA-N 0 3 415.578 2.631 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)N1CCCCC1 ZINC000793715261 1078262408 /nfs/dbraw/zinc/26/24/08/1078262408.db2.gz XFXPEMJKNLLNKH-ZDUSSCGKSA-N 0 3 414.319 2.537 20 0 HFADHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793716229 1078263356 /nfs/dbraw/zinc/26/33/56/1078263356.db2.gz ZBGBBUOHZOREOM-ZWKOTPCHSA-N 0 3 420.985 2.582 20 0 HFADHN CCCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000793726460 1078267607 /nfs/dbraw/zinc/26/76/07/1078267607.db2.gz RZNCGPWCUDVVRJ-RBUKOAKNSA-N 0 3 416.566 2.633 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436658 1078278171 /nfs/dbraw/zinc/27/81/71/1078278171.db2.gz JMAFXYWUVDVRNP-VGOFRKELSA-N 0 3 401.507 2.824 20 0 HFADHN CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793699138 1078272708 /nfs/dbraw/zinc/27/27/08/1078272708.db2.gz MFZHNFRWWNWEPV-HNNXBMFYSA-N 0 3 410.356 2.788 20 0 HFADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793905006 1078334163 /nfs/dbraw/zinc/33/41/63/1078334163.db2.gz ZCQXTOYEDCTNGF-DBXWQHBBSA-N 0 3 401.551 2.507 20 0 HFADHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972319 1078349909 /nfs/dbraw/zinc/34/99/09/1078349909.db2.gz WBQDKJMSCIZMCQ-PCCBWWKXSA-N 0 3 422.529 2.711 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978686 1078350874 /nfs/dbraw/zinc/35/08/74/1078350874.db2.gz BHUXSBXWQFQVSI-ZCNNSNEGSA-N 0 3 424.545 2.815 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978684 1078350968 /nfs/dbraw/zinc/35/09/68/1078350968.db2.gz BHUXSBXWQFQVSI-HSALFYBXSA-N 0 3 424.545 2.815 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341883 1078420213 /nfs/dbraw/zinc/42/02/13/1078420213.db2.gz APCJIANIDDASFK-FUHWJXTLSA-N 0 3 418.538 2.774 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000804396949 1078454077 /nfs/dbraw/zinc/45/40/77/1078454077.db2.gz QSVPTTHBYSUYST-UHFFFAOYSA-N 0 3 403.429 2.902 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001170448846 1078459988 /nfs/dbraw/zinc/45/99/88/1078459988.db2.gz DTPBLGKDYNNAHD-LJQANCHMSA-N 0 3 409.534 2.949 20 0 HFADHN C[C@@H](C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)n1cccn1 ZINC001129497768 1078487784 /nfs/dbraw/zinc/48/77/84/1078487784.db2.gz TUUCLBHRMMELOH-KRWDZBQOSA-N 0 3 401.942 2.911 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804660191 1078497779 /nfs/dbraw/zinc/49/77/79/1078497779.db2.gz FYAAHTPPKJEADF-HXUWFJFHSA-N 0 3 402.539 2.521 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804442488 1078509275 /nfs/dbraw/zinc/50/92/75/1078509275.db2.gz DAZSHOXDIPBOFM-OYRHEFFESA-N 0 3 424.545 2.913 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000804464420 1078526580 /nfs/dbraw/zinc/52/65/80/1078526580.db2.gz VHAMPWFJCXVJFJ-CYBMUJFWSA-N 0 3 401.298 2.548 20 0 HFADHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524866 1078564304 /nfs/dbraw/zinc/56/43/04/1078564304.db2.gz XISAPYIDIOIHBJ-YGPBLSMFSA-N 0 3 419.566 2.534 20 0 HFADHN COc1ccc(Cn2ncc3cc(C(=O)N(C)C[C@H]4CCCN4C)cnc32)c(OC)c1 ZINC001129905222 1078576985 /nfs/dbraw/zinc/57/69/85/1078576985.db2.gz KHNNZCCEJZYYOX-LJQANCHMSA-N 0 3 423.517 2.663 20 0 HFADHN COc1ccc([C@@H](CC(=O)N(CCN(C)C)Cc2ccsc2)NC(C)=O)cc1 ZINC001129585013 1078583635 /nfs/dbraw/zinc/58/36/35/1078583635.db2.gz MSENCBRGVJTEJH-HXUWFJFHSA-N 0 3 403.548 2.914 20 0 HFADHN CC(C)CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129941367 1078603517 /nfs/dbraw/zinc/60/35/17/1078603517.db2.gz XQHRQPOXOODDQH-AFDCHOCNSA-N 0 3 403.571 2.509 20 0 HFADHN COC[C@@]1(CNC(=O)c2cccc(CN(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000804794061 1078627943 /nfs/dbraw/zinc/62/79/43/1078627943.db2.gz JYAXITLPLSFPNT-QFIPXVFZSA-N 0 3 405.539 2.894 20 0 HFADHN O=C(Nc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1)Nc1ccccc1 ZINC000747214716 1078634375 /nfs/dbraw/zinc/63/43/75/1078634375.db2.gz AQXRGNIPXRPLFN-HZPDHXFCSA-N 0 3 400.504 2.985 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000804952089 1078779955 /nfs/dbraw/zinc/77/99/55/1078779955.db2.gz IJPQWOLDEAHNQP-RPWUZVMVSA-N 0 3 424.589 2.960 20 0 HFADHN COc1ccc(C2N=NC(=S)N2CCC(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000747224412 1078788416 /nfs/dbraw/zinc/78/84/16/1078788416.db2.gz QISUEEUFPABMPP-UHFFFAOYSA-N 0 3 417.579 2.965 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1Cl ZINC000805074760 1078906091 /nfs/dbraw/zinc/90/60/91/1078906091.db2.gz ORXHYFIWKMGXOZ-RTBURBONSA-N 0 3 406.958 2.597 20 0 HFADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137840 1078934426 /nfs/dbraw/zinc/93/44/26/1078934426.db2.gz JYFBDOSMBSWOSY-PGRDOPGGSA-N 0 3 424.586 2.530 20 0 HFADHN C[C@]1(CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CCCN1Cc1ccccc1 ZINC000805199377 1078952675 /nfs/dbraw/zinc/95/26/75/1078952675.db2.gz ZAHJVUHNXHPXGT-GBXCKJPGSA-N 0 3 406.530 2.568 20 0 HFADHN CN1CCC[C@@H](NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184229 1078966018 /nfs/dbraw/zinc/96/60/18/1078966018.db2.gz LDPSLZRXUFWETQ-MJGOQNOKSA-N 0 3 402.539 2.914 20 0 HFADHN Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)no1 ZINC000805197541 1078970965 /nfs/dbraw/zinc/97/09/65/1078970965.db2.gz FWCLAWUPEQQOJK-NFBKMPQASA-N 0 3 410.518 2.817 20 0 HFADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206199 1079084009 /nfs/dbraw/zinc/08/40/09/1079084009.db2.gz JPRHULVDJHXMBT-GXTWGEPZSA-N 0 3 417.926 2.661 20 0 HFADHN CN1CCN(Cc2ccc(CNS(=O)(=O)/C=C\c3ccc(F)cc3)cc2)CC1 ZINC000747249151 1079124933 /nfs/dbraw/zinc/12/49/33/1079124933.db2.gz XORINKOOHLKGRJ-GDNBJRDFSA-N 0 3 403.523 2.663 20 0 HFADHN CNC(=O)c1cncc(/C=C\C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001130257197 1079146204 /nfs/dbraw/zinc/14/62/04/1079146204.db2.gz MUCAZIMHHFPKIK-MZMPXXGTSA-N 0 3 406.530 2.966 20 0 HFADHN Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301327 1079192777 /nfs/dbraw/zinc/19/27/77/1079192777.db2.gz LJRHLYYSZOIXQR-PMACEKPBSA-N 0 3 419.591 2.963 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(OCC(N)=O)cc1)C2 ZINC000805794611 1079258736 /nfs/dbraw/zinc/25/87/36/1079258736.db2.gz XONAMYJYUOUAEV-QFIPXVFZSA-N 0 3 403.523 2.774 20 0 HFADHN C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001130393002 1079273375 /nfs/dbraw/zinc/27/33/75/1079273375.db2.gz DICQHXJZOFVJIZ-KOSHJBKYSA-N 0 3 407.514 2.971 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000805831157 1079301040 /nfs/dbraw/zinc/30/10/40/1079301040.db2.gz SYCWLIBYTOZRPO-GOSISDBHSA-N 0 3 402.539 2.771 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c(Cl)cc1Cl ZINC000747276277 1079340259 /nfs/dbraw/zinc/34/02/59/1079340259.db2.gz FGTONUNPJVAWRM-YGRLFVJLSA-N 0 3 409.335 2.741 20 0 HFADHN CC[C@@H]1CC(N2CCN(c3ncncn3)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496318 1079396173 /nfs/dbraw/zinc/39/61/73/1079396173.db2.gz HIOBBCIVAZZFQZ-IAGOWNOFSA-N 0 3 404.559 2.950 20 0 HFADHN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000772846188 1079429004 /nfs/dbraw/zinc/42/90/04/1079429004.db2.gz MLYZSAWQGKSSEY-SZMVWBNQSA-N 0 3 423.579 2.765 20 0 HFADHN C[C@H](Sc1ncccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCCC1 ZINC001130518239 1079449432 /nfs/dbraw/zinc/44/94/32/1079449432.db2.gz ISJUOQDEHSZFOW-QXAKKESOSA-N 0 3 416.591 2.931 20 0 HFADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518222 1079449469 /nfs/dbraw/zinc/44/94/69/1079449469.db2.gz ILSABPOKXLRZIM-PMACEKPBSA-N 0 3 405.564 2.608 20 0 HFADHN CC(C)[C@@H](N[C@@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163871 1079473767 /nfs/dbraw/zinc/47/37/67/1079473767.db2.gz WIUDZXPTAJXLNK-DNVCBOLYSA-N 0 3 402.930 2.533 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3cc(C(F)F)ncn3)cc2)CC1 ZINC001130545097 1079476688 /nfs/dbraw/zinc/47/66/88/1079476688.db2.gz XZKQLRQCVOVDAT-UHFFFAOYSA-N 0 3 405.449 2.683 20 0 HFADHN Cn1nc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)cc1C(F)F ZINC001130543699 1079499420 /nfs/dbraw/zinc/49/94/20/1079499420.db2.gz CTJUPQVXSGQAFZ-UHFFFAOYSA-N 0 3 407.465 2.626 20 0 HFADHN CCOC(=O)C1=C(CN2C[C@@H](C)CC2(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673558 1076747789 /nfs/dbraw/zinc/74/77/89/1076747789.db2.gz CZSVZYYPAPITQK-IFXJQAMLSA-N 0 3 401.507 2.987 20 0 HFADHN CCOC(=O)C1C(CN2C[C@@H](C)CC2(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673558 1076747799 /nfs/dbraw/zinc/74/77/99/1076747799.db2.gz CZSVZYYPAPITQK-IFXJQAMLSA-N 0 3 401.507 2.987 20 0 HFADHN CCc1ccc(CN(C)C(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000746675002 1076748720 /nfs/dbraw/zinc/74/87/20/1076748720.db2.gz ZCAWTPHCQGZYLW-VWLOTQADSA-N 0 3 409.574 2.824 20 0 HFADHN CC(C)CN(CCN(C)C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787323731 1076766783 /nfs/dbraw/zinc/76/67/83/1076766783.db2.gz QEFVPMUKAFMYLR-INIZCTEOSA-N 0 3 407.559 2.794 20 0 HFADHN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787323194 1076767008 /nfs/dbraw/zinc/76/70/08/1076767008.db2.gz ARYNJTNROFFFOW-LNLFQRSKSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000787668362 1076904934 /nfs/dbraw/zinc/90/49/34/1076904934.db2.gz FMFITEBBTDCOQX-HKUYNNGSSA-N 0 3 409.571 2.878 20 0 HFADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672463 1076906322 /nfs/dbraw/zinc/90/63/22/1076906322.db2.gz SMFIAOOYACXHSG-DOTOQJQBSA-N 0 3 411.468 2.869 20 0 HFADHN Cc1cccc(N2CCN(CCC(=O)Nc3cc(N4CCNC4=O)ccc3C)CC2)c1 ZINC000787701000 1076917915 /nfs/dbraw/zinc/91/79/15/1076917915.db2.gz RWBMUDSCVSJKJS-UHFFFAOYSA-N 0 3 421.545 2.984 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710649 1076922645 /nfs/dbraw/zinc/92/26/45/1076922645.db2.gz MUVOAMUHJZPLGW-UWJYYQICSA-N 0 3 423.579 2.703 20 0 HFADHN Cc1occc1C(=O)NC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787716324 1076924058 /nfs/dbraw/zinc/92/40/58/1076924058.db2.gz HDKHWNYTNAYEIJ-GCJKJVERSA-N 0 3 421.538 2.543 20 0 HFADHN Cc1occc1C(=O)NC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787716328 1076924114 /nfs/dbraw/zinc/92/41/14/1076924114.db2.gz HDKHWNYTNAYEIJ-XMSQKQJNSA-N 0 3 421.538 2.543 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718715 1076925213 /nfs/dbraw/zinc/92/52/13/1076925213.db2.gz SYSTZIMBFOVXSN-JTSKRJEESA-N 0 3 415.538 2.669 20 0 HFADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751930 1076927017 /nfs/dbraw/zinc/92/70/17/1076927017.db2.gz QTTXTPBRDDJRPY-UZLBHIALSA-N 0 3 421.969 2.603 20 0 HFADHN CCOC(=O)[C@H]1[C@@H](NCc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752651 1076927769 /nfs/dbraw/zinc/92/77/69/1076927769.db2.gz ZJWIVUNAMJOVPN-PKOBYXMFSA-N 0 3 414.506 2.903 20 0 HFADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995978 1077023071 /nfs/dbraw/zinc/02/30/71/1077023071.db2.gz PFIGDOWCBGOJKB-PKOBYXMFSA-N 0 3 408.502 2.690 20 0 HFADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997063 1077023301 /nfs/dbraw/zinc/02/33/01/1077023301.db2.gz WNWZHGSRUWQPHW-FUHWJXTLSA-N 0 3 412.465 2.521 20 0 HFADHN CC(C)(C)OC(=O)NC1(CO)CCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000788003458 1077025408 /nfs/dbraw/zinc/02/54/08/1077025408.db2.gz GINKDQRWLLYMAL-UHFFFAOYSA-N 0 3 408.495 2.536 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000788035415 1077035639 /nfs/dbraw/zinc/03/56/39/1077035639.db2.gz SRGFNDFKPDXOLG-GXLYXMFMSA-N 0 3 402.539 2.887 20 0 HFADHN CNS(=O)(=O)c1cccc(CN[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244782 1077085817 /nfs/dbraw/zinc/08/58/17/1077085817.db2.gz ITWWRGWNNIJSMF-ZWKOTPCHSA-N 0 3 411.568 2.910 20 0 HFADHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436890 1077146203 /nfs/dbraw/zinc/14/62/03/1077146203.db2.gz OPPQZVSWYDFAQO-CVEARBPZSA-N 0 3 400.527 2.904 20 0 HFADHN CN(C)S(=O)(=O)c1ccc(COC(=O)C2(C)CCN(Cc3ccccc3)CC2)o1 ZINC000772719820 1077171113 /nfs/dbraw/zinc/17/11/13/1077171113.db2.gz WHULLYRROWKARO-UHFFFAOYSA-N 0 3 420.531 2.875 20 0 HFADHN CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000788549616 1077197463 /nfs/dbraw/zinc/19/74/63/1077197463.db2.gz XNWQRGIKJSWMNX-UHFFFAOYSA-N 0 3 413.559 2.851 20 0 HFADHN CCCN1CCC(N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788600164 1077219288 /nfs/dbraw/zinc/21/92/88/1077219288.db2.gz HBDMWYRKUWCEHZ-UHFFFAOYSA-N 0 3 408.973 2.991 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)c1Cl ZINC000788651606 1077226750 /nfs/dbraw/zinc/22/67/50/1077226750.db2.gz JLJVVBZELOBGNM-NEPJUHHUSA-N 0 3 406.957 2.601 20 0 HFADHN CCOC(=O)[C@H]1[C@@H](NCCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641013 1077243864 /nfs/dbraw/zinc/24/38/64/1077243864.db2.gz VBQLFMNZMFLNDS-DLBZAZTESA-N 0 3 414.449 2.874 20 0 HFADHN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788676419 1077246068 /nfs/dbraw/zinc/24/60/68/1077246068.db2.gz UCYLRUNVHDCVNP-MAUKXSAKSA-N 0 3 411.568 2.672 20 0 HFADHN CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788687835 1077251237 /nfs/dbraw/zinc/25/12/37/1077251237.db2.gz GETRCAHRVUHRND-FCHUYYIVSA-N 0 3 406.530 2.703 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@@H](C)[C@@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662384 1077257651 /nfs/dbraw/zinc/25/76/51/1077257651.db2.gz CUKITOQLRIWYAN-HNONPPJISA-N 0 3 410.486 2.778 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@H](C)[C@@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670288 1077261605 /nfs/dbraw/zinc/26/16/05/1077261605.db2.gz IOUXWLSDMKTDFW-YSHGAJCASA-N 0 3 406.523 2.509 20 0 HFADHN CCOC(=O)[C@H]1[C@H](NCc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671706 1077262445 /nfs/dbraw/zinc/26/24/45/1077262445.db2.gz NHSOYQRHDFXHKA-IEBWSBKVSA-N 0 3 414.506 2.903 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000788719176 1077270632 /nfs/dbraw/zinc/27/06/32/1077270632.db2.gz PDEQWTLECQRPBD-QWQRMKEZSA-N 0 3 420.476 2.795 20 0 HFADHN CCOC(=O)[C@H]1[C@@H](NCc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754139 1077277296 /nfs/dbraw/zinc/27/72/96/1077277296.db2.gz OTBDBBNLQYPFBR-ZWKOTPCHSA-N 0 3 406.523 2.945 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058730 1077285381 /nfs/dbraw/zinc/28/53/81/1077285381.db2.gz FIFQIAXBGRETMV-MAUKXSAKSA-N 0 3 419.570 2.984 20 0 HFADHN CCN1CCN(CCNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791129026 1077296804 /nfs/dbraw/zinc/29/68/04/1077296804.db2.gz IJQYERCTESIXTB-UHFFFAOYSA-N 0 3 404.555 2.720 20 0 HFADHN COCCN(CCN(C)C)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000788842298 1077317192 /nfs/dbraw/zinc/31/71/92/1077317192.db2.gz QBEJVNIYYKFFBQ-UHFFFAOYSA-N 0 3 419.566 2.673 20 0 HFADHN COC(=O)CC1(NCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000791589625 1077493536 /nfs/dbraw/zinc/49/35/36/1077493536.db2.gz QNQDTVCVXPGWKW-IRXDYDNUSA-N 0 3 403.523 2.704 20 0 HFADHN COc1cccc(/C=C(\C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)n2nnnc2C)c1 ZINC000791716363 1077536442 /nfs/dbraw/zinc/53/64/42/1077536442.db2.gz ULWHBZLVSMZGMR-BRPJJHRWSA-N 0 3 420.517 2.796 20 0 HFADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@H](c1ccccc1)N(C)C ZINC000791717440 1077537273 /nfs/dbraw/zinc/53/72/73/1077537273.db2.gz YUTBZNYNGNGPLH-CWRNSKLLSA-N 0 3 401.429 2.957 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c1 ZINC000791753024 1077552710 /nfs/dbraw/zinc/55/27/10/1077552710.db2.gz XZUXDLPQSWLEKZ-FYYLOGMGSA-N 0 3 423.513 2.596 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000791950095 1077626877 /nfs/dbraw/zinc/62/68/77/1077626877.db2.gz KTMXNVBLLUXFFG-UHFFFAOYSA-N 0 3 415.490 2.686 20 0 HFADHN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000789558734 1077676975 /nfs/dbraw/zinc/67/69/75/1077676975.db2.gz UQYNULANZVDCPN-LBPRGKRZSA-N 0 3 400.292 2.826 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653152 1077724825 /nfs/dbraw/zinc/72/48/25/1077724825.db2.gz QABLPCBFSHCIEG-PJIJBLCYSA-N 0 3 405.495 2.977 20 0 HFADHN CC(C)CC[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000789692573 1077730706 /nfs/dbraw/zinc/73/07/06/1077730706.db2.gz AHSGZHTVBBSNHD-UFYCRDLUSA-N 0 3 421.969 2.913 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)C2)c1 ZINC000792222673 1077748399 /nfs/dbraw/zinc/74/83/99/1077748399.db2.gz IWRSOFXQTRFBTE-QSAZIKIQSA-N 0 3 423.513 2.976 20 0 HFADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000792234830 1077757177 /nfs/dbraw/zinc/75/71/77/1077757177.db2.gz GQFJIZUBIONMRC-YLJYHZDGSA-N 0 3 418.607 2.864 20 0 HFADHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 ZINC000792216732 1077770167 /nfs/dbraw/zinc/77/01/67/1077770167.db2.gz XJPLDISVXIOUCX-IAGOWNOFSA-N 0 3 420.554 2.977 20 0 HFADHN C[C@H](CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000792252285 1077780036 /nfs/dbraw/zinc/78/00/36/1077780036.db2.gz PHDCMWCGYLFUDQ-QGZVFWFLSA-N 0 3 419.570 2.643 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000792275047 1077789448 /nfs/dbraw/zinc/78/94/48/1077789448.db2.gz IIRBCTFKKPNHJQ-QQFBHYJXSA-N 0 3 405.461 2.777 20 0 HFADHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120232 1077800235 /nfs/dbraw/zinc/80/02/35/1077800235.db2.gz ZMHKZKKDGKNKLQ-ROUUACIJSA-N 0 3 413.609 2.919 20 0 HFADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000792347386 1077810499 /nfs/dbraw/zinc/81/04/99/1077810499.db2.gz KGKKLSSSPVYCFR-KRWDZBQOSA-N 0 3 409.534 2.764 20 0 HFADHN COc1cccc(CN2CCC(NC(=O)c3cnnn3-c3cccc(F)c3)CC2)c1 ZINC000789901049 1077856185 /nfs/dbraw/zinc/85/61/85/1077856185.db2.gz CMPQRDXZCZATHG-UHFFFAOYSA-N 0 3 409.465 2.809 20 0 HFADHN COCCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CC[C@H](C)C1 ZINC000792461984 1077858548 /nfs/dbraw/zinc/85/85/48/1077858548.db2.gz BKSOSQRPAODVCJ-PXNSSMCTSA-N 0 3 419.541 2.814 20 0 HFADHN COCCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000792461990 1077858581 /nfs/dbraw/zinc/85/85/81/1077858581.db2.gz BKSOSQRPAODVCJ-YLJYHZDGSA-N 0 3 419.541 2.814 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2 ZINC000790046300 1077915868 /nfs/dbraw/zinc/91/58/68/1077915868.db2.gz NVNHBZXEGUAIEN-UHFFFAOYSA-N 0 3 407.536 2.933 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)cc1 ZINC000790025198 1077917986 /nfs/dbraw/zinc/91/79/86/1077917986.db2.gz YZMOHZHKRHKRGC-HNNXBMFYSA-N 0 3 421.592 2.532 20 0 HFADHN C[C@H](c1ccsc1)N1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790081735 1077925584 /nfs/dbraw/zinc/92/55/84/1077925584.db2.gz KTIYWMHDSZPJCY-GOSISDBHSA-N 0 3 408.612 2.979 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051409 1077931514 /nfs/dbraw/zinc/93/15/14/1077931514.db2.gz PCQLMJLPQVFIBM-SJORKVTESA-N 0 3 411.568 2.862 20 0 HFADHN NC(=O)CCN(C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCOc2ccccc21 ZINC001170290295 1077938665 /nfs/dbraw/zinc/93/86/65/1077938665.db2.gz JPYCOUWGVICQJS-OXJNMPFZSA-N 0 3 409.486 2.609 20 0 HFADHN CCS(=O)(=O)c1ccc(CNc2nc(CN)ccc2NC(=O)C(C)(C)C)cc1 ZINC001170322548 1077943360 /nfs/dbraw/zinc/94/33/60/1077943360.db2.gz YPPFWJWNGBMHIS-UHFFFAOYSA-N 0 3 404.536 2.931 20 0 HFADHN Cc1cc(NC(=S)NCCCN2CCOCC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000790342809 1078007536 /nfs/dbraw/zinc/00/75/36/1078007536.db2.gz SSCIJCUJWUDDQR-UHFFFAOYSA-N 0 3 419.639 2.534 20 0 HFADHN O=C1OCc2c1cccc2S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000747090402 1078016096 /nfs/dbraw/zinc/01/60/96/1078016096.db2.gz NWPJCHQNCRASIY-UHFFFAOYSA-N 0 3 406.529 2.609 20 0 HFADHN O=C1NC2(CCCC2)C(=O)N1CCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790492824 1078043273 /nfs/dbraw/zinc/04/32/73/1078043273.db2.gz ITSUFQGPYKIJDE-UHFFFAOYSA-N 0 3 415.925 2.929 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000806254228 1079522053 /nfs/dbraw/zinc/52/20/53/1079522053.db2.gz RENBSQAUMFBGRT-RTWAWAEBSA-N 0 3 421.557 2.724 20 0 HFADHN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc3ccccc3)C1)CCC2 ZINC000806299383 1079551905 /nfs/dbraw/zinc/55/19/05/1079551905.db2.gz XZDASHJSVGLVKL-RTWAWAEBSA-N 0 3 423.561 2.691 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000806307321 1079560100 /nfs/dbraw/zinc/56/01/00/1079560100.db2.gz BUEZZCWJIRERSC-PMACEKPBSA-N 0 3 404.555 2.860 20 0 HFADHN CSc1nc2nc(C)c(CC(=O)N[C@]3(C)CCN(Cc4ccccc4)C3)c(C)n2n1 ZINC001130610499 1079630022 /nfs/dbraw/zinc/63/00/22/1079630022.db2.gz RMLMAJBVPSFRRL-JOCHJYFZSA-N 0 3 424.574 2.786 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000806434394 1079680236 /nfs/dbraw/zinc/68/02/36/1079680236.db2.gz KFNJTQCQADBNBU-PMACEKPBSA-N 0 3 402.539 2.961 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000806437191 1079705805 /nfs/dbraw/zinc/70/58/05/1079705805.db2.gz KHBQBVMYIDWDGC-QGZVFWFLSA-N 0 3 412.600 2.658 20 0 HFADHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)CC1 ZINC000806540642 1079779184 /nfs/dbraw/zinc/77/91/84/1079779184.db2.gz FPWRNRULOPRVSD-AZUAARDMSA-N 0 3 424.586 2.530 20 0 HFADHN CC(=O)NCC[C@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000806597220 1079839427 /nfs/dbraw/zinc/83/94/27/1079839427.db2.gz FVJIVYOKZPFVHR-HXUWFJFHSA-N 0 3 402.608 2.764 20 0 HFADHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747341696 1079876747 /nfs/dbraw/zinc/87/67/47/1079876747.db2.gz HKBLIESKTQHYHR-ROUUACIJSA-N 0 3 402.926 2.795 20 0 HFADHN O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747340544 1079901209 /nfs/dbraw/zinc/90/12/09/1079901209.db2.gz BCOMGZQLVFYUKV-MJGOQNOKSA-N 0 3 419.319 2.961 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724617 1079948127 /nfs/dbraw/zinc/94/81/27/1079948127.db2.gz YTJPFKZFDVLQQR-MGPUTAFESA-N 0 3 410.518 2.877 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)c3cc(-n4cccn4)ccn3)cc2)CC1 ZINC001130742404 1080006234 /nfs/dbraw/zinc/00/62/34/1080006234.db2.gz VVNNFQNROIHYOV-UHFFFAOYSA-N 0 3 420.517 2.536 20 0 HFADHN CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000806796319 1080015595 /nfs/dbraw/zinc/01/55/95/1080015595.db2.gz ZCILDDYLXSCWPQ-PXNSSMCTSA-N 0 3 402.539 2.958 20 0 HFADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001130757292 1080043094 /nfs/dbraw/zinc/04/30/94/1080043094.db2.gz AHODWEJCSPOEGM-CMODXEBXSA-N 0 3 400.500 2.839 20 0 HFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806870193 1080071686 /nfs/dbraw/zinc/07/16/86/1080071686.db2.gz FKXRVQGTDQVVCP-UHFFFAOYSA-N 0 3 401.482 2.582 20 0 HFADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000806919661 1080088407 /nfs/dbraw/zinc/08/84/07/1080088407.db2.gz RVAWJWGTSKTBCU-LBPRGKRZSA-N 0 3 405.296 2.536 20 0 HFADHN CCc1ccc([C@H](O)CNC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000806920256 1080089230 /nfs/dbraw/zinc/08/92/30/1080089230.db2.gz UGUYRVMXPJQSNN-HSZRJFAPSA-N 0 3 411.546 2.739 20 0 HFADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001130807045 1080175432 /nfs/dbraw/zinc/17/54/32/1080175432.db2.gz PHTUGEWVVNTKRI-UHFFFAOYSA-N 0 3 424.261 2.560 20 0 HFADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807002065 1080180599 /nfs/dbraw/zinc/18/05/99/1080180599.db2.gz HJOYFDVCPYFJOY-UHFFFAOYSA-N 0 3 401.482 2.582 20 0 HFADHN CN(C)C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037858 1080227340 /nfs/dbraw/zinc/22/73/40/1080227340.db2.gz DRXKIDGLTZRYGZ-NHCUHLMSSA-N 0 3 412.509 2.919 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000807331746 1080531807 /nfs/dbraw/zinc/53/18/07/1080531807.db2.gz GMTLCCPQPNTBCT-RTBURBONSA-N 0 3 416.566 2.573 20 0 HFADHN CNC(=O)Oc1cccc(OC(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130932628 1080578522 /nfs/dbraw/zinc/57/85/22/1080578522.db2.gz NMSALWBVWGYGET-OALUTQOASA-N 0 3 400.479 2.558 20 0 HFADHN CN(CCCN(C)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1)Cc1ccco1 ZINC000807413907 1080611722 /nfs/dbraw/zinc/61/17/22/1080611722.db2.gz YXJKQKWTQIJTDV-UHFFFAOYSA-N 0 3 413.453 2.523 20 0 HFADHN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001203422251 1126158764 /nfs/dbraw/zinc/15/87/64/1126158764.db2.gz QUMUFSYPKUXCCG-QGZVFWFLSA-N 0 3 403.331 2.724 20 0 HFADHN COc1ccc2nc(CN[C@](C)(CO)Cc3ccc(Br)cc3)[nH]c2n1 ZINC001198219746 1126155053 /nfs/dbraw/zinc/15/50/53/1126155053.db2.gz RTYZWKTXELWASK-SFHVURJKSA-N 0 3 405.296 2.812 20 0 HFADHN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCCN(Cc4ccccc4)CC3)n12 ZINC000032932834 526217201 /nfs/dbraw/zinc/21/72/01/526217201.db2.gz CFJMMBJZXUCZKO-UHFFFAOYSA-N 0 3 416.529 2.598 20 0 HFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)ncn3)CC2)CC1 ZINC001164618275 719020745 /nfs/dbraw/zinc/02/07/45/719020745.db2.gz RVHJOYCHAHJFOK-UHFFFAOYSA-N 0 3 402.873 2.919 20 0 HFADHN NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164626655 719083224 /nfs/dbraw/zinc/08/32/24/719083224.db2.gz OXLCHXJACAOBJS-ZIAGYGMSSA-N 0 3 406.317 2.983 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164689824 719749713 /nfs/dbraw/zinc/74/97/13/719749713.db2.gz KOUVLRQCCBTQBJ-UHFFFAOYSA-N 0 3 409.534 2.545 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164690276 719753696 /nfs/dbraw/zinc/75/36/96/719753696.db2.gz YBXIIZVIZUVQHY-UHFFFAOYSA-N 0 3 422.957 2.871 20 0 HFADHN CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164724238 720401782 /nfs/dbraw/zinc/40/17/82/720401782.db2.gz IMZYFTOZZZDQJU-PMACEKPBSA-N 0 3 401.518 2.853 20 0 HFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164730253 720428508 /nfs/dbraw/zinc/42/85/08/720428508.db2.gz IXZSLOMQHJWTHF-GJZGRUSLSA-N 0 3 412.881 2.646 20 0 HFADHN O=C(C[C@@H]1OC[C@@H]2CN(c3ncccc3CN3CCCC3)CC[C@H]21)N1CCCCC1 ZINC001164840769 720503220 /nfs/dbraw/zinc/50/32/20/720503220.db2.gz XLPRXPCCWUMVDE-BDTNDASRSA-N 0 3 412.578 2.921 20 0 HFADHN Fc1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738126 720630462 /nfs/dbraw/zinc/63/04/62/720630462.db2.gz AJKUNXLIIJFRLD-KBPBESRZSA-N 0 3 400.845 2.554 20 0 HFADHN Clc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740192 720634569 /nfs/dbraw/zinc/63/45/69/720634569.db2.gz HQGDOPTVWMOYAA-QZTJIDSGSA-N 0 3 408.893 2.929 20 0 HFADHN Clc1ccc2[nH]c3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3c2c1 ZINC001164741567 720750072 /nfs/dbraw/zinc/75/00/72/720750072.db2.gz MTTDGQYHUYGZES-CABCVRRESA-N 0 3 421.892 2.896 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866093 721045212 /nfs/dbraw/zinc/04/52/12/721045212.db2.gz CSFLFLVQTSOXFC-KBPBESRZSA-N 0 3 402.861 2.625 20 0 HFADHN COc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164864603 721103136 /nfs/dbraw/zinc/10/31/36/721103136.db2.gz GNUDMWMKGFOJHW-AZUAARDMSA-N 0 3 405.502 2.822 20 0 HFADHN COc1cc2c(cc1F)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865467 721111235 /nfs/dbraw/zinc/11/12/35/721111235.db2.gz LNNABGDIHMSZLI-IAGOWNOFSA-N 0 3 409.465 2.652 20 0 HFADHN COC(=O)c1ccc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001164768164 721116752 /nfs/dbraw/zinc/11/67/52/721116752.db2.gz NNCGWTXZYCUQNC-PMACEKPBSA-N 0 3 405.502 2.713 20 0 HFADHN Fc1cccc(-c2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876458 721156633 /nfs/dbraw/zinc/15/66/33/721156633.db2.gz MNKKMEVTEWSMAJ-VQTJNVASSA-N 0 3 406.465 2.552 20 0 HFADHN COc1ccccc1-c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nn1 ZINC001164770795 721202295 /nfs/dbraw/zinc/20/22/95/721202295.db2.gz OKLJVQWPNYJFEH-RTBURBONSA-N 0 3 404.518 2.844 20 0 HFADHN COc1ccc(-c2cc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)ncn2)cc1 ZINC001164772873 721209531 /nfs/dbraw/zinc/20/95/31/721209531.db2.gz VTRAALVLGKKNDT-WOJBJXKFSA-N 0 3 404.518 2.844 20 0 HFADHN COc1ccc(-c2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164772872 721210142 /nfs/dbraw/zinc/21/01/42/721210142.db2.gz VTRAALVLGKKNDT-VQTJNVASSA-N 0 3 404.518 2.844 20 0 HFADHN Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(N)=O ZINC001164897686 721513221 /nfs/dbraw/zinc/51/32/21/721513221.db2.gz GIAZXEMXAXJRKS-GDBMZVCRSA-N 0 3 404.873 2.623 20 0 HFADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899671 721517980 /nfs/dbraw/zinc/51/79/80/721517980.db2.gz LOZYZHJQHJHCRF-IEBWSBKVSA-N 0 3 422.460 2.897 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164912349 721533433 /nfs/dbraw/zinc/53/34/33/721533433.db2.gz YZUWCPSIEGBXOX-FUHWJXTLSA-N 0 3 413.497 2.942 20 0 HFADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908150 721538282 /nfs/dbraw/zinc/53/82/82/721538282.db2.gz PDABEDQOTVMRKF-HKUYNNGSSA-N 0 3 422.460 2.897 20 0 HFADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907617 721547901 /nfs/dbraw/zinc/54/79/01/721547901.db2.gz NQLFZHQWEFDRPA-HKUYNNGSSA-N 0 3 414.481 2.504 20 0 HFADHN FC1(F)CCN(c2cncc(-n3ccnc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906262 721715235 /nfs/dbraw/zinc/71/52/35/721715235.db2.gz LWTDXGWHHKJRJB-FQEVSTJZSA-N 0 3 411.460 2.795 20 0 HFADHN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164921134 721836557 /nfs/dbraw/zinc/83/65/57/721836557.db2.gz BWKKSUMTVBUNPK-REWPJTCUSA-N 0 3 408.550 2.732 20 0 HFADHN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164925085 721837253 /nfs/dbraw/zinc/83/72/53/721837253.db2.gz NQEZVDXAKYXICR-NFBKMPQASA-N 0 3 408.550 2.732 20 0 HFADHN CN(Cc1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164976605 722090862 /nfs/dbraw/zinc/09/08/62/722090862.db2.gz SCQUPYYWUHDCEZ-PXNSSMCTSA-N 0 3 412.559 2.675 20 0 HFADHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986223 722099040 /nfs/dbraw/zinc/09/90/40/722099040.db2.gz YLZKCBYQBJTRAY-LEWJYISDSA-N 0 3 408.550 2.729 20 0 HFADHN Clc1nc2ncccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984700 722104638 /nfs/dbraw/zinc/10/46/38/722104638.db2.gz TZNCDAWGXOVPMB-SJLPKXTDSA-N 0 3 410.909 2.801 20 0 HFADHN COc1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164986420 722106726 /nfs/dbraw/zinc/10/67/26/722106726.db2.gz YZQQRRCAQZHYEV-GCJKJVERSA-N 0 3 405.502 2.761 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164975072 722117233 /nfs/dbraw/zinc/11/72/33/722117233.db2.gz JFYQNOILPPWTML-RTBURBONSA-N 0 3 424.549 2.584 20 0 HFADHN F[C@H](Oc1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979802 722118489 /nfs/dbraw/zinc/11/84/89/722118489.db2.gz QENMPUJEJRLNNT-ZWOKBUDYSA-N 0 3 406.889 2.985 20 0 HFADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164983351 722138319 /nfs/dbraw/zinc/13/83/19/722138319.db2.gz UOUKDXIJGLQOKM-FCHUYYIVSA-N 0 3 416.529 2.969 20 0 HFADHN COc1cccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981700 722143076 /nfs/dbraw/zinc/14/30/76/722143076.db2.gz PZXITJWJEXQBAR-GHTZIAJQSA-N 0 3 405.502 2.761 20 0 HFADHN c1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)nc1 ZINC001164980910 722145168 /nfs/dbraw/zinc/14/51/68/722145168.db2.gz NQCZVJLXBRZLPR-UGKGYDQZSA-N 0 3 402.502 2.661 20 0 HFADHN c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)nc1 ZINC001164983878 722148209 /nfs/dbraw/zinc/14/82/09/722148209.db2.gz VYKTVTDETINTRT-DENIHFKCSA-N 0 3 402.502 2.661 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)C2=CCN(C)CC2)cn1 ZINC000790468690 1078045536 /nfs/dbraw/zinc/04/55/36/1078045536.db2.gz RUKQVRPMALDKRC-XMSQKQJNSA-N 0 3 411.550 2.799 20 0 HFADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793034794 1078052539 /nfs/dbraw/zinc/05/25/39/1078052539.db2.gz RVCLLSSYSNVYQT-UHFFFAOYSA-N 0 3 423.286 2.512 20 0 HFADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)Nc1cccc(Cl)n1 ZINC000793039452 1078053677 /nfs/dbraw/zinc/05/36/77/1078053677.db2.gz MMERQPSLVRISSU-UHFFFAOYSA-N 0 3 404.923 2.904 20 0 HFADHN COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046121 1078055605 /nfs/dbraw/zinc/05/56/05/1078055605.db2.gz ZAOLDQOFSINBDK-VFVRVIDISA-N 0 3 401.429 2.969 20 0 HFADHN O=C(c1nc(Br)ccc1Br)N1CC[C@H](N2CCCC2)C1 ZINC000790571308 1078058098 /nfs/dbraw/zinc/05/80/98/1078058098.db2.gz JVTIICSFNIVZSJ-JTQLQIEISA-N 0 3 403.118 2.917 20 0 HFADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(CCO)Cc1cccnc1Cl ZINC000793023184 1078058672 /nfs/dbraw/zinc/05/86/72/1078058672.db2.gz VYOFYBJGCLOHOB-IBGZPJMESA-N 0 3 402.926 2.904 20 0 HFADHN O=C(Nc1cccc(Cl)n1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000793069942 1078062371 /nfs/dbraw/zinc/06/23/71/1078062371.db2.gz VAEZIEHZYHRMEQ-UHFFFAOYSA-N 0 3 404.820 2.595 20 0 HFADHN CN1CCC(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000790613387 1078075861 /nfs/dbraw/zinc/07/58/61/1078075861.db2.gz FVBWZOIYROFRQP-UHFFFAOYSA-N 0 3 410.341 2.557 20 0 HFADHN Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000790707698 1078102530 /nfs/dbraw/zinc/10/25/30/1078102530.db2.gz CILNEJSWPYMWBZ-QZTJIDSGSA-N 0 3 406.958 2.733 20 0 HFADHN COCC(C)(COC(=O)c1ccc2cncn2c1)COC(=O)c1ccc2cncn2c1 ZINC000793209661 1078106764 /nfs/dbraw/zinc/10/67/64/1078106764.db2.gz PNVZUKSLCASYTO-UHFFFAOYSA-N 0 3 422.441 2.649 20 0 HFADHN C[C@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)CN1C1CC1 ZINC000790761874 1078113351 /nfs/dbraw/zinc/11/33/51/1078113351.db2.gz YUEQBTXUAIFQDC-DTWKUNHWSA-N 0 3 403.118 2.962 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cnc(Br)c(OC)c2)cc1 ZINC000793516810 1078197405 /nfs/dbraw/zinc/19/74/05/1078197405.db2.gz IIFSOJJNYYZZIN-OAHLLOKOSA-N 0 3 408.296 2.894 20 0 HFADHN COC(=O)c1ccc(CNCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1 ZINC000793606239 1078222936 /nfs/dbraw/zinc/22/29/36/1078222936.db2.gz JUZJWBZRDZBQHY-QHCPKHFHSA-N 0 3 407.470 2.988 20 0 HFADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657852 1078259916 /nfs/dbraw/zinc/25/99/16/1078259916.db2.gz NFODGJHRHHWAGC-CRAIPNDOSA-N 0 3 403.523 2.988 20 0 HFADHN C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000793723274 1078266182 /nfs/dbraw/zinc/26/61/82/1078266182.db2.gz LYAMLKTZNUTOQJ-UONOGXRCSA-N 0 3 401.429 2.753 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)N1CCCCC1 ZINC000793698367 1078272509 /nfs/dbraw/zinc/27/25/09/1078272509.db2.gz JSGQVQWMTMQPTE-QGZVFWFLSA-N 0 3 414.575 2.535 20 0 HFADHN Cc1ccc(C[C@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c2ccccn2)cc1 ZINC000793703064 1078274898 /nfs/dbraw/zinc/27/48/98/1078274898.db2.gz VXOFTQCQHKHKCA-KNQAVFIVSA-N 0 3 408.546 2.781 20 0 HFADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000793796098 1078300536 /nfs/dbraw/zinc/30/05/36/1078300536.db2.gz WTAJUGKWBHVSRA-OALUTQOASA-N 0 3 424.545 2.615 20 0 HFADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900107 1078344004 /nfs/dbraw/zinc/34/40/04/1078344004.db2.gz FJDCBQOXHPIVRO-RBSFLKMASA-N 0 3 415.456 2.999 20 0 HFADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900104 1078344056 /nfs/dbraw/zinc/34/40/56/1078344056.db2.gz FJDCBQOXHPIVRO-ILXRZTDVSA-N 0 3 415.456 2.999 20 0 HFADHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793972324 1078349951 /nfs/dbraw/zinc/34/99/51/1078349951.db2.gz WBQDKJMSCIZMCQ-PWRODBHTSA-N 0 3 422.529 2.711 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000794339080 1078419118 /nfs/dbraw/zinc/41/91/18/1078419118.db2.gz LMFMCUVKGXYIRJ-NRFANRHFSA-N 0 3 406.486 2.703 20 0 HFADHN CC(C)Cc1ncnc(NC[C@H]2CN3CCC[C@H]3CO2)c1I ZINC000804396544 1078461605 /nfs/dbraw/zinc/46/16/05/1078461605.db2.gz JOIJKYYDCLHADK-STQMWFEESA-N 0 3 416.307 2.555 20 0 HFADHN Cc1ccc([C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)N2CCCC2)cc1 ZINC000747188318 1078468575 /nfs/dbraw/zinc/46/85/75/1078468575.db2.gz HDZRBDKOILERIW-WIYYLYMNSA-N 0 3 419.529 2.587 20 0 HFADHN COc1nn(C)cc1C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129612325 1078618827 /nfs/dbraw/zinc/61/88/27/1078618827.db2.gz WAMYZOHDLAAHGE-UHFFFAOYSA-N 0 3 417.941 2.509 20 0 HFADHN CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000804833134 1078674354 /nfs/dbraw/zinc/67/43/54/1078674354.db2.gz HVEYXVRQXJYKTR-RUZDIDTESA-N 0 3 422.573 2.930 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000804976615 1078811871 /nfs/dbraw/zinc/81/18/71/1078811871.db2.gz HTTQBLKDZAZAGE-GMBSWORKSA-N 0 3 413.440 2.959 20 0 HFADHN O=C(COc1ccc(C2SCCCS2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747230934 1078945472 /nfs/dbraw/zinc/94/54/72/1078945472.db2.gz DBQUIUUHDRWMIG-SJLPKXTDSA-N 0 3 408.589 2.914 20 0 HFADHN C[C@](O)(CCNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1ccccc1 ZINC000805198910 1078971747 /nfs/dbraw/zinc/97/17/47/1078971747.db2.gz VHWMULYDJLLNGH-DQEYMECFSA-N 0 3 423.557 2.571 20 0 HFADHN Cc1cccc(-n2ncc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c2C(F)(F)F)c1 ZINC000747235898 1079004615 /nfs/dbraw/zinc/00/46/15/1079004615.db2.gz JDVFDYXMPDKMOA-CVEARBPZSA-N 0 3 408.424 2.793 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236685 1079011823 /nfs/dbraw/zinc/01/18/23/1079011823.db2.gz NUJSXPFXUKUCJT-QWHCGFSZSA-N 0 3 412.387 2.623 20 0 HFADHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2F)N(C)C)cc1 ZINC000805309449 1079031613 /nfs/dbraw/zinc/03/16/13/1079031613.db2.gz PCIGILCNZCPZLB-FQEVSTJZSA-N 0 3 421.538 2.704 20 0 HFADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2F)N(C)C)cc1 ZINC000805309450 1079031913 /nfs/dbraw/zinc/03/19/13/1079031913.db2.gz PCIGILCNZCPZLB-HXUWFJFHSA-N 0 3 421.538 2.704 20 0 HFADHN CCc1ccc(N2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)cc1Cl ZINC000805446813 1079098587 /nfs/dbraw/zinc/09/85/87/1079098587.db2.gz XNGVVXAQJSTGLX-UHFFFAOYSA-N 0 3 422.017 2.760 20 0 HFADHN CNC(=O)c1cncc(/C=C/C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001130257194 1079146104 /nfs/dbraw/zinc/14/61/04/1079146104.db2.gz MUCAZIMHHFPKIK-CZQLGGELSA-N 0 3 406.530 2.966 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805774558 1079246509 /nfs/dbraw/zinc/24/65/09/1079246509.db2.gz NFUGGYHZXNKBMI-OAHLLOKOSA-N 0 3 424.929 2.758 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000805940797 1079343783 /nfs/dbraw/zinc/34/37/83/1079343783.db2.gz CNABHOLNDKYTDC-XXBNENTESA-N 0 3 423.557 2.595 20 0 HFADHN C[C@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000806182848 1079477175 /nfs/dbraw/zinc/47/71/75/1079477175.db2.gz FCNPVGJSYUTOCG-HKUYNNGSSA-N 0 3 413.543 2.927 20 0 HFADHN C[C@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC001137551705 1079478308 /nfs/dbraw/zinc/47/83/08/1079478308.db2.gz OAGLIADSVXLINB-JSGCOSHPSA-N 0 3 404.864 2.852 20 0 HFADHN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000746677668 1076792118 /nfs/dbraw/zinc/79/21/18/1076792118.db2.gz SDGIANYKBAKLEH-CVEARBPZSA-N 0 3 400.548 2.770 20 0 HFADHN CN(C)C1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCC1 ZINC000787467787 1076833782 /nfs/dbraw/zinc/83/37/82/1076833782.db2.gz HCJRIUKIQKWRAW-UHFFFAOYSA-N 0 3 414.333 2.527 20 0 HFADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672465 1076906289 /nfs/dbraw/zinc/90/62/89/1076906289.db2.gz SMFIAOOYACXHSG-RDJZCZTQSA-N 0 3 411.468 2.869 20 0 HFADHN Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCCN1CCc3ccccc3C1)CCC2 ZINC000787707296 1076919811 /nfs/dbraw/zinc/91/98/11/1076919811.db2.gz DAXQXGUJBIKJEE-LJQANCHMSA-N 0 3 412.559 2.510 20 0 HFADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751929 1076927024 /nfs/dbraw/zinc/92/70/24/1076927024.db2.gz QTTXTPBRDDJRPY-OXQOHEQNSA-N 0 3 421.969 2.603 20 0 HFADHN CC(C)(C)OC(=O)N1CC(N[C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754319 1076927946 /nfs/dbraw/zinc/92/79/46/1076927946.db2.gz LMOCPRAJEOBTSU-IRXDYDNUSA-N 0 3 411.543 2.610 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766525 1076931308 /nfs/dbraw/zinc/93/13/08/1076931308.db2.gz UKOJRPPMVXQBJQ-WDYCEAGBSA-N 0 3 420.506 2.529 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](N[C@@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766520 1076931344 /nfs/dbraw/zinc/93/13/44/1076931344.db2.gz UKOJRPPMVXQBJQ-IEZWGBDMSA-N 0 3 420.506 2.529 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768045 1076941386 /nfs/dbraw/zinc/94/13/86/1076941386.db2.gz XTOZYUUUHUIHIF-FIKGOQFSSA-N 0 3 410.486 2.564 20 0 HFADHN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000787877342 1076972150 /nfs/dbraw/zinc/97/21/50/1076972150.db2.gz XANKQBAGVRCHAD-RTBURBONSA-N 0 3 403.567 2.902 20 0 HFADHN CCOC(=O)N1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000746742857 1077114217 /nfs/dbraw/zinc/11/42/17/1077114217.db2.gz OLKQRJHIAMNNRJ-SFHVURJKSA-N 0 3 402.539 2.913 20 0 HFADHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436893 1077146183 /nfs/dbraw/zinc/14/61/83/1077146183.db2.gz OPPQZVSWYDFAQO-JKSUJKDBSA-N 0 3 400.527 2.904 20 0 HFADHN N=C(NOCc1ncc(Br)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000788506871 1077185990 /nfs/dbraw/zinc/18/59/90/1077185990.db2.gz YTBUKJMXYHJBNM-CYBMUJFWSA-N 0 3 411.325 2.805 20 0 HFADHN CC(C(=O)NC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000788520854 1077190465 /nfs/dbraw/zinc/19/04/65/1077190465.db2.gz YSDGREKCISHCGM-LBPRGKRZSA-N 0 3 414.405 2.894 20 0 HFADHN COC(=O)c1sc(S(=O)(=O)N2CCN(C)c3ccncc32)c(C)c1Cl ZINC000788547620 1077196683 /nfs/dbraw/zinc/19/66/83/1077196683.db2.gz JTQCZKJGHGDZBV-UHFFFAOYSA-N 0 3 401.897 2.537 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558789 1077200938 /nfs/dbraw/zinc/20/09/38/1077200938.db2.gz VYGPFYJBIBPYPG-FHWLQOOXSA-N 0 3 423.529 2.959 20 0 HFADHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000788599199 1077218560 /nfs/dbraw/zinc/21/85/60/1077218560.db2.gz QTUPRJLYFSXMEQ-OAHLLOKOSA-N 0 3 403.504 2.744 20 0 HFADHN CC(=O)Nc1ccc(CN[C@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607615 1077222465 /nfs/dbraw/zinc/22/24/65/1077222465.db2.gz WCTCZNWCVQRNKX-OXQOHEQNSA-N 0 3 412.490 2.556 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)=NO1 ZINC000788621920 1077232158 /nfs/dbraw/zinc/23/21/58/1077232158.db2.gz ZBVNHVVQCGNTOI-MJGOQNOKSA-N 0 3 416.522 2.609 20 0 HFADHN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681878 1077249335 /nfs/dbraw/zinc/24/93/35/1077249335.db2.gz ZRPLPDUUXMERLH-NVXWUHKLSA-N 0 3 411.568 2.815 20 0 HFADHN CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788687836 1077251194 /nfs/dbraw/zinc/25/11/94/1077251194.db2.gz GETRCAHRVUHRND-FGZHOGPDSA-N 0 3 406.530 2.703 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000790969134 1077258503 /nfs/dbraw/zinc/25/85/03/1077258503.db2.gz VQOILKVCJVEQOO-HNNXBMFYSA-N 0 3 419.526 2.604 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000788719175 1077270586 /nfs/dbraw/zinc/27/05/86/1077270586.db2.gz PDEQWTLECQRPBD-LBTNJELSSA-N 0 3 420.476 2.795 20 0 HFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788767079 1077281974 /nfs/dbraw/zinc/28/19/74/1077281974.db2.gz XEIHVFQNNNHPCN-SFHVURJKSA-N 0 3 405.514 2.973 20 0 HFADHN CCOC(=O)C1([C@H](C)NCc2cc(C)nn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788819443 1077307627 /nfs/dbraw/zinc/30/76/27/1077307627.db2.gz RVYCZJMWQPJUNV-INIZCTEOSA-N 0 3 408.543 2.787 20 0 HFADHN C[NH+](C)C1CCN(c2ccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)nc2)CC1 ZINC000788843364 1077317249 /nfs/dbraw/zinc/31/72/49/1077317249.db2.gz DHOKEFXRDYMYGY-UHFFFAOYSA-N 0 3 414.531 2.787 20 0 HFADHN Cc1c(C[C@H](CNCc2cn3ccccc3n2)CNC(=O)OC(C)(C)C)cnn1C ZINC000788857933 1077322096 /nfs/dbraw/zinc/32/20/96/1077322096.db2.gz YNWXACGSKJRYBV-QGZVFWFLSA-N 0 3 412.538 2.849 20 0 HFADHN CC1=C(C(=O)Nc2ccc(CCN3CCSCC3)cc2)[C@H](C)n2ncnc2N1C ZINC000791215241 1077332692 /nfs/dbraw/zinc/33/26/92/1077332692.db2.gz TZRJMKJZFHXIFP-INIZCTEOSA-N 0 3 412.563 2.793 20 0 HFADHN CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000747003230 1077377911 /nfs/dbraw/zinc/37/79/11/1077377911.db2.gz DVDGIWWMFVQWAD-UHFFFAOYSA-N 0 3 414.575 2.920 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1 ZINC000791341694 1077379828 /nfs/dbraw/zinc/37/98/28/1077379828.db2.gz XYRFFGLDMITWPC-UHFFFAOYSA-N 0 3 422.529 2.764 20 0 HFADHN C[C@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nnnn1C1CC1 ZINC000791347048 1077381307 /nfs/dbraw/zinc/38/13/07/1077381307.db2.gz WGYLAGVYVGPDTN-CABZTGNLSA-N 0 3 410.261 2.972 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)C2=O)c(C)c1 ZINC000789019538 1077386569 /nfs/dbraw/zinc/38/65/69/1077386569.db2.gz WDOXQRBGZRDNFO-KKUMJFAQSA-N 0 3 412.408 2.717 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](C)N(C)Cc3ccccc3)C2)c1 ZINC000791590025 1077494218 /nfs/dbraw/zinc/49/42/18/1077494218.db2.gz SZQGUQAJZBMIDZ-KSFYIVLOSA-N 0 3 411.502 2.834 20 0 HFADHN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000791718024 1077537891 /nfs/dbraw/zinc/53/78/91/1077537891.db2.gz KLJJRJMJIYQJJJ-UJBXOHPOSA-N 0 3 408.481 2.926 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000791975536 1077617248 /nfs/dbraw/zinc/61/72/48/1077617248.db2.gz ZIBOXOJKYYPODZ-REHHDOPLSA-N 0 3 409.530 2.695 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1cc(Br)ccc1=O ZINC000791981245 1077621597 /nfs/dbraw/zinc/62/15/97/1077621597.db2.gz FMENAMZPVWAPJZ-WMZOPIPTSA-N 0 3 416.319 2.754 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000791982127 1077621992 /nfs/dbraw/zinc/62/19/92/1077621992.db2.gz PSOJIINKLOYYJJ-KPFFTGBYSA-N 0 3 405.498 2.943 20 0 HFADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789565754 1077645690 /nfs/dbraw/zinc/64/56/90/1077645690.db2.gz ULBWYTTYUADFJJ-ZDUSSCGKSA-N 0 3 404.417 2.691 20 0 HFADHN CN1CCN(Cc2ccc(CNC(=O)c3nc(Br)ccc3F)cc2)CC1 ZINC000792057594 1077662905 /nfs/dbraw/zinc/66/29/05/1077662905.db2.gz GBOKLQWIMIPKLI-UHFFFAOYSA-N 0 3 421.314 2.661 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074544 1077681576 /nfs/dbraw/zinc/68/15/76/1077681576.db2.gz JDDTZNWXFLLLKV-QDEZUTFSSA-N 0 3 412.303 2.607 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074543 1077681612 /nfs/dbraw/zinc/68/16/12/1077681612.db2.gz JDDTZNWXFLLLKV-AYMQEEERSA-N 0 3 412.303 2.607 20 0 HFADHN CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000792234823 1077757197 /nfs/dbraw/zinc/75/71/97/1077757197.db2.gz GQFJIZUBIONMRC-FXAWDEMLSA-N 0 3 418.607 2.864 20 0 HFADHN CC[C@H](C)[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260156 1077784612 /nfs/dbraw/zinc/78/46/12/1077784612.db2.gz NDDURUQEAGEJCY-MUGJNUQGSA-N 0 3 418.578 2.990 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272378 1077788618 /nfs/dbraw/zinc/78/86/18/1077788618.db2.gz MPUYVUDKLKNXKM-ZHRRBRCNSA-N 0 3 408.502 2.925 20 0 HFADHN O=C(CCc1nnc[n-]1)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000789794307 1077800219 /nfs/dbraw/zinc/80/02/19/1077800219.db2.gz MAFBXLXMRJKIBX-UHFFFAOYSA-N 0 3 423.311 2.586 20 0 HFADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789840226 1077816652 /nfs/dbraw/zinc/81/66/52/1077816652.db2.gz LXKPGCLUYBXBDR-KRWDZBQOSA-N 0 3 423.989 2.561 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000789807899 1077819285 /nfs/dbraw/zinc/81/92/85/1077819285.db2.gz QNRNTZKBQMAHFD-IBGZPJMESA-N 0 3 415.534 2.839 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(CC3CCS(=O)(=O)CC3)CC2)CC1 ZINC000792332788 1077822070 /nfs/dbraw/zinc/82/20/70/1077822070.db2.gz WQFMMGYLWJZEQG-UHFFFAOYSA-N 0 3 400.585 2.924 20 0 HFADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815106 1077823737 /nfs/dbraw/zinc/82/37/37/1077823737.db2.gz WHIBIXXLEMQEKT-CVEARBPZSA-N 0 3 401.507 2.599 20 0 HFADHN Cc1cc(Cl)ncc1NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792398799 1077834835 /nfs/dbraw/zinc/83/48/35/1077834835.db2.gz QAISOMFIVZUFGJ-UHFFFAOYSA-N 0 3 418.847 2.903 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 ZINC000789885651 1077835858 /nfs/dbraw/zinc/83/58/58/1077835858.db2.gz SMCAOOMBOKHIBQ-HSZRJFAPSA-N 0 3 420.557 2.702 20 0 HFADHN CCn1cc([C@H](O)CN(CCc2nnnn2-c2ccccc2)Cc2ccccc2)cn1 ZINC000792376234 1077843434 /nfs/dbraw/zinc/84/34/34/1077843434.db2.gz LABXCARMYVDBDJ-JOCHJYFZSA-N 0 3 417.517 2.657 20 0 HFADHN Nn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1[C@@H]1CCCCO1 ZINC000789921550 1077848418 /nfs/dbraw/zinc/84/84/18/1077848418.db2.gz LNKRAWOAISVJDU-MSOLQXFVSA-N 0 3 403.552 2.617 20 0 HFADHN Nn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1[C@H]1CCCCO1 ZINC000789921553 1077848433 /nfs/dbraw/zinc/84/84/33/1077848433.db2.gz LNKRAWOAISVJDU-ZWKOTPCHSA-N 0 3 403.552 2.617 20 0 HFADHN CCOC(=O)c1nc2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2[n-]1 ZINC001170167554 1077884746 /nfs/dbraw/zinc/88/47/46/1077884746.db2.gz NFFWECVGVOBNNJ-UHFFFAOYSA-N 0 3 408.462 2.608 20 0 HFADHN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1ccn(-c2ccc(F)cc2)c(=O)c1 ZINC001170167955 1077888470 /nfs/dbraw/zinc/88/84/70/1077888470.db2.gz RYJDVDNFNWRYFL-UHFFFAOYSA-N 0 3 407.449 2.845 20 0 HFADHN CC(C)CN1N=C(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCC1=O ZINC000792553883 1077901312 /nfs/dbraw/zinc/90/13/12/1077901312.db2.gz BXRNJMHPEIPMJD-UHFFFAOYSA-N 0 3 402.461 2.542 20 0 HFADHN COC(=O)Cc1cc(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)ccn1 ZINC001170210536 1077908109 /nfs/dbraw/zinc/90/81/09/1077908109.db2.gz PLCOLMNZKNWVLR-SJORKVTESA-N 0 3 408.495 2.851 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC001170217413 1077909814 /nfs/dbraw/zinc/90/98/14/1077909814.db2.gz QEDMPJNJZJVMBO-INIZCTEOSA-N 0 3 423.510 2.642 20 0 HFADHN CC[C@@H]1C[C@@H](N2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224205 1077916829 /nfs/dbraw/zinc/91/68/29/1077916829.db2.gz UITSCTRZWRPBLP-PSBKLILYSA-N 0 3 402.535 2.702 20 0 HFADHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000746873294 1077923271 /nfs/dbraw/zinc/92/32/71/1077923271.db2.gz QFJSPOGIYBLVBX-OAHLLOKOSA-N 0 3 420.469 2.610 20 0 HFADHN O=C(CNC(=O)[C@]1(O)CCCN(Cc2ccccc2)C1)c1cccc(F)c1Cl ZINC001170279250 1077935440 /nfs/dbraw/zinc/93/54/40/1077935440.db2.gz WCCDMIUOTNYFRU-NRFANRHFSA-N 0 3 404.869 2.805 20 0 HFADHN NC(=O)CCN(C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCOc2ccccc21 ZINC001170290297 1077938801 /nfs/dbraw/zinc/93/88/01/1077938801.db2.gz JPYCOUWGVICQJS-UZLBHIALSA-N 0 3 409.486 2.609 20 0 HFADHN O=C1CN(CCCN2CCN(c3ccc(Cl)cc3)CC2)CN1CCC(F)(F)F ZINC001170358174 1077949738 /nfs/dbraw/zinc/94/97/38/1077949738.db2.gz OOYLPBBEFADKHS-UHFFFAOYSA-N 0 3 418.891 2.906 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790144952 1077956541 /nfs/dbraw/zinc/95/65/41/1077956541.db2.gz MGCOHPKQKFNSQT-HXUWFJFHSA-N 0 3 413.543 2.728 20 0 HFADHN CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cncc(OCCN2CCCC2)n1 ZINC001170394922 1077959714 /nfs/dbraw/zinc/95/97/14/1077959714.db2.gz XHJKCAZMLNMULL-SFHVURJKSA-N 0 3 402.470 2.677 20 0 HFADHN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCN2CCC(C)CC2)cn1 ZINC000790158404 1077961675 /nfs/dbraw/zinc/96/16/75/1077961675.db2.gz XWWHLLLLTHCLCU-QFIPXVFZSA-N 0 3 413.566 2.880 20 0 HFADHN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCCN2CCC(C)CC2)cn1 ZINC000790158402 1077961729 /nfs/dbraw/zinc/96/17/29/1077961729.db2.gz XWWHLLLLTHCLCU-JOCHJYFZSA-N 0 3 413.566 2.880 20 0 HFADHN CC(C)(C)OC(=O)N1CCC(N(C2CC2)[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000790313718 1077994595 /nfs/dbraw/zinc/99/45/95/1077994595.db2.gz BBJPLJVMWJNULJ-IBGZPJMESA-N 0 3 407.555 2.630 20 0 HFADHN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000747087417 1078005939 /nfs/dbraw/zinc/00/59/39/1078005939.db2.gz SPQVVXSWBKEMAA-QGZVFWFLSA-N 0 3 420.579 2.996 20 0 HFADHN CN(CN1C[C@]2(CN3CCC2CC3)OC1=O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382175 1078010134 /nfs/dbraw/zinc/01/01/34/1078010134.db2.gz FBEADMPVTAXYKX-VWPQPMDRSA-N 0 3 403.498 2.852 20 0 HFADHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792867209 1078011630 /nfs/dbraw/zinc/01/16/30/1078011630.db2.gz MLHXFWNFNBYHCP-FGTMMUONSA-N 0 3 400.585 2.923 20 0 HFADHN COC(=O)c1c2cnn(CN3CCN(CC(C)C)CC3)c2ccc1Br ZINC000790440045 1078031604 /nfs/dbraw/zinc/03/16/04/1078031604.db2.gz UUSNLDQJZFMNQE-UHFFFAOYSA-N 0 3 409.328 2.817 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000792963817 1078037141 /nfs/dbraw/zinc/03/71/41/1078037141.db2.gz UWWVSNNBHZDVQL-UHFFFAOYSA-N 0 3 414.453 2.733 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000790469745 1078038603 /nfs/dbraw/zinc/03/86/03/1078038603.db2.gz AUNGOHGLQHVMJB-GOSISDBHSA-N 0 3 406.527 2.560 20 0 HFADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000792981287 1078039795 /nfs/dbraw/zinc/03/97/95/1078039795.db2.gz XOVLLLFOFGUTIX-UHFFFAOYSA-N 0 3 419.323 2.681 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1C1CC1 ZINC000792988553 1078041692 /nfs/dbraw/zinc/04/16/92/1078041692.db2.gz FCIDNFLJCSEHFM-MISYRCLQSA-N 0 3 414.550 2.960 20 0 HFADHN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)CCC2 ZINC000806298521 1079550268 /nfs/dbraw/zinc/55/02/68/1079550268.db2.gz JPQJDSZKTWOFOY-GOSISDBHSA-N 0 3 417.579 2.610 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000806309389 1079564040 /nfs/dbraw/zinc/56/40/40/1079564040.db2.gz DVPGKUXDEIXEQH-VQTJNVASSA-N 0 3 402.539 2.960 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000806290928 1079576086 /nfs/dbraw/zinc/57/60/86/1079576086.db2.gz XUGIRPIMYGKDMX-XZOQPEGZSA-N 0 3 423.557 2.513 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806290925 1079576708 /nfs/dbraw/zinc/57/67/08/1079576708.db2.gz XUGIRPIMYGKDMX-DHIUTWEWSA-N 0 3 423.557 2.513 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325890 1079594573 /nfs/dbraw/zinc/59/45/73/1079594573.db2.gz QXULJQJGFYFOTG-WOJBJXKFSA-N 0 3 403.486 2.527 20 0 HFADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)no1 ZINC001130610893 1079630499 /nfs/dbraw/zinc/63/04/99/1079630499.db2.gz WSUCSERJOFBDLF-IERDGZPVSA-N 0 3 416.547 2.824 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000806434397 1079680202 /nfs/dbraw/zinc/68/02/02/1079680202.db2.gz KFNJTQCQADBNBU-WOJBJXKFSA-N 0 3 402.539 2.961 20 0 HFADHN CN1CC[C@@](O)(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679586 1079908995 /nfs/dbraw/zinc/90/89/95/1079908995.db2.gz DIAINYLXLAJBCX-GDBMZVCRSA-N 0 3 419.740 2.945 20 0 HFADHN Cc1cc(I)cc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000806684172 1079912338 /nfs/dbraw/zinc/91/23/38/1079912338.db2.gz RPVCOTYZZDVPQB-CABCVRRESA-N 0 3 415.275 2.584 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@]34CCO[C@@H]3CCCC4)cc2)CC1 ZINC001130742170 1080005613 /nfs/dbraw/zinc/00/56/13/1080005613.db2.gz LPKREAAZTHHDML-GGAORHGYSA-N 0 3 401.551 2.991 20 0 HFADHN CN1CCN(CCCCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806831772 1080044269 /nfs/dbraw/zinc/04/42/69/1080044269.db2.gz FILHFGLOVIHYQN-DEOSSOPVSA-N 0 3 424.589 2.959 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862859 1080065704 /nfs/dbraw/zinc/06/57/04/1080065704.db2.gz REUOCBKDNCNKRW-LEWJYISDSA-N 0 3 410.518 2.711 20 0 HFADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001130806187 1080174685 /nfs/dbraw/zinc/17/46/85/1080174685.db2.gz GHMDCXXFYAEBDC-UHFFFAOYSA-N 0 3 404.898 2.619 20 0 HFADHN CCCc1sc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1Br ZINC001130807110 1080176016 /nfs/dbraw/zinc/17/60/16/1080176016.db2.gz RRTITWPUIPKQNR-UHFFFAOYSA-N 0 3 404.374 2.555 20 0 HFADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806997453 1080176852 /nfs/dbraw/zinc/17/68/52/1080176852.db2.gz GRXNIWNXEQUFTD-UHFFFAOYSA-N 0 3 401.482 2.582 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037789 1080227493 /nfs/dbraw/zinc/22/74/93/1080227493.db2.gz CBQXMWLFCKCCGR-FGZHOGPDSA-N 0 3 424.545 2.788 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000807149135 1080302766 /nfs/dbraw/zinc/30/27/66/1080302766.db2.gz SZTAHAJNTAXAOH-QRFRQXIXSA-N 0 3 420.554 2.854 20 0 HFADHN CCOC(=O)C1=C(Nc2ccccc2OS(=O)(=O)c2ccc(C)cc2)CCNC1 ZINC001170520405 1080393313 /nfs/dbraw/zinc/39/33/13/1080393313.db2.gz GWJXWVLGZBFGAS-UHFFFAOYSA-N 0 3 416.499 2.985 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807334730 1080534879 /nfs/dbraw/zinc/53/48/79/1080534879.db2.gz SUJLFYGYITXSNX-UHFFFAOYSA-N 0 3 403.914 2.799 20 0 HFADHN C[C@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@H](c1ccccc1)N(C)C ZINC000807401073 1080596692 /nfs/dbraw/zinc/59/66/92/1080596692.db2.gz ISNSORHDNAIISL-FUHWJXTLSA-N 0 3 403.596 2.886 20 0 HFADHN C[C@H](NC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000807402801 1080597770 /nfs/dbraw/zinc/59/77/70/1080597770.db2.gz MOUHACLQHWSXOV-YTQUADARSA-N 0 3 420.554 2.613 20 0 HFADHN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)[C@@H](c1ccccc1)N(C)C ZINC000807402718 1080597849 /nfs/dbraw/zinc/59/78/49/1080597849.db2.gz LJSPOTSRSFKUMO-ROPHOZQPSA-N 0 3 401.507 2.805 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441170 1080661725 /nfs/dbraw/zinc/66/17/25/1080661725.db2.gz BPWKLJDVJLRPOS-HOTGVXAUSA-N 0 3 407.584 2.917 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccco1 ZINC000807442071 1080662544 /nfs/dbraw/zinc/66/25/44/1080662544.db2.gz VMFBJZQECZNYEH-UAGQMJEPSA-N 0 3 417.506 2.985 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1ccco1 ZINC000807442072 1080662580 /nfs/dbraw/zinc/66/25/80/1080662580.db2.gz VMFBJZQECZNYEH-USXIJHARSA-N 0 3 417.506 2.985 20 0 HFADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807487440 1080671397 /nfs/dbraw/zinc/67/13/97/1080671397.db2.gz WSZNRTWRSNVNJV-GOSISDBHSA-N 0 3 423.435 2.864 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000807559378 1080811080 /nfs/dbraw/zinc/81/10/80/1080811080.db2.gz PNTHTMRYBGHMPT-UHFFFAOYSA-N 0 3 424.879 2.528 20 0 HFADHN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@@H]3C2)c(Cl)nn1 ZINC001164391890 718826183 /nfs/dbraw/zinc/82/61/83/718826183.db2.gz XRPBZEZDPRCGKR-WMLDXEAASA-N 0 3 410.852 2.918 20 0 HFADHN CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3c4ccccc4CN[C@@H]3C2)cnc1Cl ZINC001164429899 718948202 /nfs/dbraw/zinc/94/82/02/718948202.db2.gz QMGXCVCCBZQUES-LSDHHAIUSA-N 0 3 413.877 2.759 20 0 HFADHN CCOC(=O)c1ncnc(Cl)c1N1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001164617513 719030992 /nfs/dbraw/zinc/03/09/92/719030992.db2.gz NAGSEQXHKMPLTI-UHFFFAOYSA-N 0 3 424.929 2.551 20 0 HFADHN NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164626651 719082774 /nfs/dbraw/zinc/08/27/74/719082774.db2.gz OXLCHXJACAOBJS-KGLIPLIRSA-N 0 3 406.317 2.983 20 0 HFADHN CC(C)N(C)Cc1nn(C(F)(F)c2c3c(nnc2Cl)CCC3)c2c1CCNC2 ZINC001164679757 719640339 /nfs/dbraw/zinc/64/03/39/719640339.db2.gz MAWGIDOTWZGIOV-UHFFFAOYSA-N 0 3 410.900 2.899 20 0 HFADHN Clc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)CNCC2 ZINC001164703472 719886227 /nfs/dbraw/zinc/88/62/27/719886227.db2.gz SLZHLMSVIQMGDJ-UHFFFAOYSA-N 0 3 419.982 2.709 20 0 HFADHN CN(Cc1ccc(N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164836106 720502781 /nfs/dbraw/zinc/50/27/81/720502781.db2.gz MOPAABMQBZAFMU-NNWRFLSQSA-N 0 3 412.578 2.920 20 0 HFADHN Clc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740193 720636757 /nfs/dbraw/zinc/63/67/57/720636757.db2.gz HQGDOPTVWMOYAA-ROUUACIJSA-N 0 3 408.893 2.929 20 0 HFADHN CSc1nc2ccsc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738457 720685385 /nfs/dbraw/zinc/68/53/85/720685385.db2.gz JVDZUPPROAUPRS-QWHCGFSZSA-N 0 3 400.533 2.545 20 0 HFADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164739301 720757418 /nfs/dbraw/zinc/75/74/18/720757418.db2.gz IDEYOISCGKFOPK-GJZGRUSLSA-N 0 3 408.531 2.620 20 0 HFADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164739299 720758629 /nfs/dbraw/zinc/75/86/29/720758629.db2.gz IDEYOISCGKFOPK-CABCVRRESA-N 0 3 408.531 2.620 20 0 HFADHN Clc1cccc(-c2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)c1 ZINC001164738946 720770894 /nfs/dbraw/zinc/77/08/94/720770894.db2.gz HAKRQQGVNUXFFK-QZTJIDSGSA-N 0 3 408.893 2.929 20 0 HFADHN Cc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747534 720799408 /nfs/dbraw/zinc/79/94/08/720799408.db2.gz OOTNTYYLUVPAJJ-IAGOWNOFSA-N 0 3 423.908 2.632 20 0 HFADHN c1ccc(SCc2nccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164749807 720802418 /nfs/dbraw/zinc/80/24/18/720802418.db2.gz UOQVMYZWOQSLHL-MSOLQXFVSA-N 0 3 420.542 2.901 20 0 HFADHN Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164745509 720802540 /nfs/dbraw/zinc/80/25/40/720802540.db2.gz KQUUANLJUXOCEE-DLBZAZTESA-N 0 3 406.465 2.723 20 0 HFADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870441 721042898 /nfs/dbraw/zinc/04/28/98/721042898.db2.gz VWHWPGPHYOVDGM-ROUUACIJSA-N 0 3 416.909 2.786 20 0 HFADHN COCc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766586 721081482 /nfs/dbraw/zinc/08/14/82/721081482.db2.gz KWQUWFHSYIQQHF-NHCUHLMSSA-N 0 3 418.545 2.982 20 0 HFADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@@H]3C2)cn1 ZINC001164763697 721088018 /nfs/dbraw/zinc/08/80/18/721088018.db2.gz GRIWMYBOSWYPJO-GJZGRUSLSA-N 0 3 404.971 2.611 20 0 HFADHN c1ccc(COc2cnnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164864837 721103881 /nfs/dbraw/zinc/10/38/81/721103881.db2.gz GSBWWHNFGNWDEB-GMAHTHKFSA-N 0 3 417.513 2.930 20 0 HFADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164875351 721136001 /nfs/dbraw/zinc/13/60/01/721136001.db2.gz KXVIUAPSMBCDNY-RTWAWAEBSA-N 0 3 402.502 2.722 20 0 HFADHN COc1cc2nc(C)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164763406 721136014 /nfs/dbraw/zinc/13/60/14/721136014.db2.gz FMNWOEPCEPDTPA-ZWKOTPCHSA-N 0 3 422.533 2.647 20 0 HFADHN COC(=O)c1cccc2nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc21 ZINC001164770809 721225962 /nfs/dbraw/zinc/22/59/62/721225962.db2.gz OOHHQIMOEYBMBA-MSOLQXFVSA-N 0 3 405.502 2.713 20 0 HFADHN CN(Cc1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1)C1CC1 ZINC001164876893 721329518 /nfs/dbraw/zinc/32/95/18/721329518.db2.gz RLKAGPLWTBVOQT-LJQANCHMSA-N 0 3 417.517 2.992 20 0 HFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892504 721417453 /nfs/dbraw/zinc/41/74/53/721417453.db2.gz YPECOUBUILWDML-KOSHJBKYSA-N 0 3 420.561 2.877 20 0 HFADHN COCc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164909236 721532482 /nfs/dbraw/zinc/53/24/82/721532482.db2.gz QZJSVSQBJQJFHV-WMZOPIPTSA-N 0 3 404.511 2.826 20 0 HFADHN O=C1NCc2c1c(N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)nc(Cl)c2F ZINC001164908109 721539260 /nfs/dbraw/zinc/53/92/60/721539260.db2.gz OSICEIWZUPROKW-GXTWGEPZSA-N 0 3 420.847 2.599 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903417 721540705 /nfs/dbraw/zinc/54/07/05/721540705.db2.gz CLEWJYVAGMOJGQ-AEFFLSMTSA-N 0 3 414.481 2.913 20 0 HFADHN C[NH+](C)CC1CCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)CC1 ZINC001165045356 721950171 /nfs/dbraw/zinc/95/01/71/721950171.db2.gz QSHRLBYOPCIQFL-UHFFFAOYSA-N 0 3 410.490 2.939 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)c1 ZINC001164969495 722082401 /nfs/dbraw/zinc/08/24/01/722082401.db2.gz OQXNGCLIPXDHKA-SFTDATJTSA-N 0 3 412.509 2.536 20 0 HFADHN CN(Cc1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1)C1CC1 ZINC001164976598 722090849 /nfs/dbraw/zinc/09/08/49/722090849.db2.gz SCQUPYYWUHDCEZ-FXAWDEMLSA-N 0 3 412.559 2.675 20 0 HFADHN FC(F)(c1ccnc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983376 722098590 /nfs/dbraw/zinc/09/85/90/722098590.db2.gz PQSRZOJAVWISHN-JKSUJKDBSA-N 0 3 409.868 2.797 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@@H]3C2)c1 ZINC001164984057 722099648 /nfs/dbraw/zinc/09/96/48/722099648.db2.gz ROUQWTURJZFLBU-NHCUHLMSSA-N 0 3 408.550 2.589 20 0 HFADHN CCOC(=O)c1cc(C)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983446 722105767 /nfs/dbraw/zinc/10/57/67/722105767.db2.gz QDUDMQVIWJMTKT-TZIWHRDSSA-N 0 3 410.518 2.689 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164975070 722117672 /nfs/dbraw/zinc/11/76/72/722117672.db2.gz JFYQNOILPPWTML-OALUTQOASA-N 0 3 424.549 2.584 20 0 HFADHN Nc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971953 722120526 /nfs/dbraw/zinc/12/05/26/722120526.db2.gz DZMIANSKPSUCMB-MAUKXSAKSA-N 0 3 423.895 2.984 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3C2)c1 ZINC001164978149 722125591 /nfs/dbraw/zinc/12/55/91/722125591.db2.gz NPNZLRSQECQLDM-LEWJYISDSA-N 0 3 402.502 2.661 20 0 HFADHN CCOCc1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973378 722135514 /nfs/dbraw/zinc/13/55/14/722135514.db2.gz BZEVKRZKEWKBKA-MJGOQNOKSA-N 0 3 417.941 2.789 20 0 HFADHN Nc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164977086 722137294 /nfs/dbraw/zinc/13/72/94/722137294.db2.gz IRGFRKYUHYXBRT-YJBOKZPZSA-N 0 3 423.895 2.984 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164983856 722139665 /nfs/dbraw/zinc/13/96/65/722139665.db2.gz VWLFFBHOFCWKLX-NHCUHLMSSA-N 0 3 408.550 2.589 20 0 HFADHN c1cc2c(nc(C3CC3)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164973054 722153791 /nfs/dbraw/zinc/15/37/91/722153791.db2.gz KNYRYKHKZFGPDU-ICSRJNTNSA-N 0 3 404.518 2.958 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995936 1078044105 /nfs/dbraw/zinc/04/41/05/1078044105.db2.gz CTFKKUPSJNXVBE-QFUCXCTJSA-N 0 3 414.550 2.817 20 0 HFADHN Clc1c(CNC[C@@]2(N3CCOCC3)CCSC2)cnn1Cc1ccccc1 ZINC000790530617 1078051997 /nfs/dbraw/zinc/05/19/97/1078051997.db2.gz KBXMETPPFIWKPB-FQEVSTJZSA-N 0 3 406.983 2.882 20 0 HFADHN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000790584514 1078062049 /nfs/dbraw/zinc/06/20/49/1078062049.db2.gz SLIQIWVRWKTBNA-MOPGFXCFSA-N 0 3 405.539 2.555 20 0 HFADHN CC(C)[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247077 1078109932 /nfs/dbraw/zinc/10/99/32/1078109932.db2.gz MGYDFNPKOBCXJH-OAQYLSRUSA-N 0 3 411.550 2.711 20 0 HFADHN Cc1ccc(CN2CC[C@H](N[C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748244 1078124366 /nfs/dbraw/zinc/12/43/66/1078124366.db2.gz MEAFEYXKRJDLKH-OYDLWJJNSA-N 0 3 407.558 2.975 20 0 HFADHN C[C@@]1(NCc2cccc(NS(C)(=O)=O)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345138 1078132662 /nfs/dbraw/zinc/13/26/62/1078132662.db2.gz YBVNEDLUCJLGBG-OAQYLSRUSA-N 0 3 417.531 2.949 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000793657248 1078259313 /nfs/dbraw/zinc/25/93/13/1078259313.db2.gz NJGIJLQLRAJWEI-FQEVSTJZSA-N 0 3 423.557 2.523 20 0 HFADHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793710797 1078260638 /nfs/dbraw/zinc/26/06/38/1078260638.db2.gz UMFZLRUXWIGZEH-XLIONFOSSA-N 0 3 411.550 2.710 20 0 HFADHN COC(=O)[C@@H]1CC(=O)N(CN2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)C1 ZINC000793726646 1078268301 /nfs/dbraw/zinc/26/83/01/1078268301.db2.gz YFPRVGXKRIKAIW-YADHBBJMSA-N 0 3 415.578 2.631 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cc1Cl)N1CCCCC1 ZINC000793708295 1078277273 /nfs/dbraw/zinc/27/72/73/1078277273.db2.gz MSAVBOYAGVONRP-LBPRGKRZSA-N 0 3 416.747 2.709 20 0 HFADHN CN1CCC(CCO)(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793783398 1078293348 /nfs/dbraw/zinc/29/33/48/1078293348.db2.gz MRNBDWQJKACEJC-UHFFFAOYSA-N 0 3 417.550 2.951 20 0 HFADHN Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC000793855098 1078324553 /nfs/dbraw/zinc/32/45/53/1078324553.db2.gz XRZJVGCBIDMMBH-PKOBYXMFSA-N 0 3 415.559 2.641 20 0 HFADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793905013 1078334124 /nfs/dbraw/zinc/33/41/24/1078334124.db2.gz ZCQXTOYEDCTNGF-LVCYWYKZSA-N 0 3 401.551 2.507 20 0 HFADHN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000793899632 1078343709 /nfs/dbraw/zinc/34/37/09/1078343709.db2.gz BGYCTIQLMWZGDP-WFXMLNOXSA-N 0 3 421.557 2.580 20 0 HFADHN CC1(C)CCCN(CCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793973840 1078350407 /nfs/dbraw/zinc/35/04/07/1078350407.db2.gz XQGZLXHXWBEBTE-WOJBJXKFSA-N 0 3 424.545 2.817 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000794337889 1078418840 /nfs/dbraw/zinc/41/88/40/1078418840.db2.gz CGSOPYPWKCVDQU-MRXNPFEDSA-N 0 3 404.511 2.528 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)CC1 ZINC000794339548 1078419472 /nfs/dbraw/zinc/41/94/72/1078419472.db2.gz OVVLDTSKSPMNLY-UHFFFAOYSA-N 0 3 421.501 2.539 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000794340600 1078419766 /nfs/dbraw/zinc/41/97/66/1078419766.db2.gz YLEUKNBWJTXJIQ-UHFFFAOYSA-N 0 3 414.469 2.787 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341885 1078420146 /nfs/dbraw/zinc/42/01/46/1078420146.db2.gz APCJIANIDDASFK-WMZOPIPTSA-N 0 3 418.538 2.774 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000794403257 1078436403 /nfs/dbraw/zinc/43/64/03/1078436403.db2.gz GNDSJXXQQJJTFN-HNNXBMFYSA-N 0 3 400.306 2.504 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC000804399520 1078464130 /nfs/dbraw/zinc/46/41/30/1078464130.db2.gz VSZPDJOCAATHQS-UHFFFAOYSA-N 0 3 407.563 2.677 20 0 HFADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420301 1078469340 /nfs/dbraw/zinc/46/93/40/1078469340.db2.gz GSBDNXGQVNXNSK-DZGCQCFKSA-N 0 3 401.429 2.753 20 0 HFADHN COCCCOCC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497957 1078487663 /nfs/dbraw/zinc/48/76/63/1078487663.db2.gz XNRQQWQCOCKNQK-UHFFFAOYSA-N 0 3 409.958 2.506 20 0 HFADHN C[C@H](C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)n1cccn1 ZINC001129497769 1078487694 /nfs/dbraw/zinc/48/76/94/1078487694.db2.gz TUUCLBHRMMELOH-QGZVFWFLSA-N 0 3 401.942 2.911 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804660190 1078497943 /nfs/dbraw/zinc/49/79/43/1078497943.db2.gz FYAAHTPPKJEADF-FQEVSTJZSA-N 0 3 402.539 2.521 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000804441473 1078507464 /nfs/dbraw/zinc/50/74/64/1078507464.db2.gz CYXDYLMBLMRQCP-UHFFFAOYSA-N 0 3 413.559 2.851 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000804447118 1078512889 /nfs/dbraw/zinc/51/28/89/1078512889.db2.gz XCOLVQRUSUBDRL-ZDUSSCGKSA-N 0 3 401.298 2.548 20 0 HFADHN Cc1c(C(=O)N[C@@H](C)[C@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000804475783 1078518970 /nfs/dbraw/zinc/51/89/70/1078518970.db2.gz HUPCYIOJUIAXOY-HJPURHCSSA-N 0 3 419.529 2.724 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000804694547 1078533526 /nfs/dbraw/zinc/53/35/26/1078533526.db2.gz SEMSZYPNAHPYAM-UHFFFAOYSA-N 0 3 413.537 2.852 20 0 HFADHN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC001129572079 1078564703 /nfs/dbraw/zinc/56/47/03/1078564703.db2.gz JCUNLNQBVWDDRQ-OAQYLSRUSA-N 0 3 419.566 2.897 20 0 HFADHN CCC(=O)c1ccc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804527987 1078566497 /nfs/dbraw/zinc/56/64/97/1078566497.db2.gz WIMOTESAUOFOIY-SFHVURJKSA-N 0 3 415.559 2.885 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cn4ccc(C)cc4n3)cc2)CC1 ZINC000804538077 1078584972 /nfs/dbraw/zinc/58/49/72/1078584972.db2.gz KAUUOIFVGPYHMX-UHFFFAOYSA-N 0 3 421.501 2.580 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000804563564 1078599306 /nfs/dbraw/zinc/59/93/06/1078599306.db2.gz SPZPRJQTQISMKZ-UONOGXRCSA-N 0 3 407.563 2.818 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000804567100 1078602372 /nfs/dbraw/zinc/60/23/72/1078602372.db2.gz KSPZPGKNIYLGLY-XDHOZWIPSA-N 0 3 407.580 2.691 20 0 HFADHN CN(C)CCN(Cc1ccsc1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001129701058 1078659657 /nfs/dbraw/zinc/65/96/57/1078659657.db2.gz OUDQSVXYPOIIAJ-UHFFFAOYSA-N 0 3 416.522 2.956 20 0 HFADHN CCN(c1ccnc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736240 1078682783 /nfs/dbraw/zinc/68/27/83/1078682783.db2.gz YJYSUZSGIONOIO-RTBURBONSA-N 0 3 411.554 2.653 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000804864347 1078690146 /nfs/dbraw/zinc/69/01/46/1078690146.db2.gz KLJPSWQSMXHOSR-UHFFFAOYSA-N 0 3 416.591 2.690 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000804976618 1078811848 /nfs/dbraw/zinc/81/18/48/1078811848.db2.gz HTTQBLKDZAZAGE-QOKNQOGYSA-N 0 3 413.440 2.959 20 0 HFADHN CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130057622 1078880905 /nfs/dbraw/zinc/88/09/05/1078880905.db2.gz JDOBFPHGNOLHMD-ZWKOTPCHSA-N 0 3 411.468 2.909 20 0 HFADHN CC(C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001130057619 1078880993 /nfs/dbraw/zinc/88/09/93/1078880993.db2.gz JDOBFPHGNOLHMD-MSOLQXFVSA-N 0 3 411.468 2.909 20 0 HFADHN COC[C@@H](C)n1c(SCC(=O)N(C)C[C@H]2CCCN2C)nnc1-c1ccccc1 ZINC001130097848 1078947937 /nfs/dbraw/zinc/94/79/37/1078947937.db2.gz GWUNIOXBKJSMFE-SJLPKXTDSA-N 0 3 417.579 2.797 20 0 HFADHN C[C@](O)(CCNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)c1ccccc1 ZINC000805198913 1078971714 /nfs/dbraw/zinc/97/17/14/1078971714.db2.gz VHWMULYDJLLNGH-RPBOFIJWSA-N 0 3 423.557 2.571 20 0 HFADHN CC(C)C[C@]1(C)CCCN1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001170479650 1079017107 /nfs/dbraw/zinc/01/71/07/1079017107.db2.gz KMLPMVFHDRLCCC-XZOQPEGZSA-N 0 3 414.550 2.862 20 0 HFADHN CC(C)C[C@]1(C)CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170479615 1079017139 /nfs/dbraw/zinc/01/71/39/1079017139.db2.gz KHQLYUVNDLHIAX-NRFANRHFSA-N 0 3 423.579 2.547 20 0 HFADHN COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000747241336 1079060029 /nfs/dbraw/zinc/06/00/29/1079060029.db2.gz NOLPDIMAUVAWGR-JLHYYAGUSA-N 0 3 414.527 2.947 20 0 HFADHN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c1 ZINC000747242260 1079066454 /nfs/dbraw/zinc/06/64/54/1079066454.db2.gz HKIBUJWGMHSABB-QGZVFWFLSA-N 0 3 412.552 2.517 20 0 HFADHN COc1ccc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cc1-n1cnnn1 ZINC001130258436 1079146569 /nfs/dbraw/zinc/14/65/69/1079146569.db2.gz XMLUWFZTBCBBLR-HXUWFJFHSA-N 0 3 420.517 2.796 20 0 HFADHN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC001130301075 1079192168 /nfs/dbraw/zinc/19/21/68/1079192168.db2.gz GRKVOPXWNNUGBA-RBUKOAKNSA-N 0 3 415.563 2.810 20 0 HFADHN Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301328 1079193326 /nfs/dbraw/zinc/19/33/26/1079193326.db2.gz LJRHLYYSZOIXQR-UXHICEINSA-N 0 3 419.591 2.963 20 0 HFADHN Cc1cccc(C)c1CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000805678383 1079215926 /nfs/dbraw/zinc/21/59/26/1079215926.db2.gz KXISINDNTFNQNT-UHFFFAOYSA-N 0 3 403.592 2.788 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccnc(Cl)c3)cc2)CC1 ZINC000805747525 1079228616 /nfs/dbraw/zinc/22/86/16/1079228616.db2.gz ZOVYGYNTONWSPN-UHFFFAOYSA-N 0 3 402.882 2.672 20 0 HFADHN Cc1cccnc1[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)C(C)C ZINC000805872740 1079314202 /nfs/dbraw/zinc/31/42/02/1079314202.db2.gz UHCWYTBCAHNZAZ-NRFANRHFSA-N 0 3 410.562 2.836 20 0 HFADHN CC1(C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)CCN(Cc2ccccc2)CC1 ZINC000805877102 1079318616 /nfs/dbraw/zinc/31/86/16/1079318616.db2.gz XZFXTTZITJMPAO-HXUWFJFHSA-N 0 3 421.497 2.645 20 0 HFADHN Cc1nn(CCOC(=O)C2CCN(C3CC3)CC2)c2ncc(Br)cc12 ZINC000805892754 1079323606 /nfs/dbraw/zinc/32/36/06/1079323606.db2.gz JGMIYTRCIAXILE-UHFFFAOYSA-N 0 3 407.312 2.920 20 0 HFADHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000805940744 1079343122 /nfs/dbraw/zinc/34/31/22/1079343122.db2.gz BDHJGQFSNYXMKB-UGKGYDQZSA-N 0 3 411.546 2.514 20 0 HFADHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000805940741 1079343273 /nfs/dbraw/zinc/34/32/73/1079343273.db2.gz BDHJGQFSNYXMKB-DENIHFKCSA-N 0 3 411.546 2.514 20 0 HFADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281835 1079352710 /nfs/dbraw/zinc/35/27/10/1079352710.db2.gz MZWBVJFWEHHHBI-LLVKDONJSA-N 0 3 409.335 2.885 20 0 HFADHN CCNC(=O)Oc1cccc(OC(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130489316 1079413130 /nfs/dbraw/zinc/41/31/30/1079413130.db2.gz CLVQBIVUANMDNK-UXHICEINSA-N 0 3 414.506 2.948 20 0 HFADHN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000772846185 1079429019 /nfs/dbraw/zinc/42/90/19/1079429019.db2.gz MLYZSAWQGKSSEY-JQHSSLGASA-N 0 3 423.579 2.765 20 0 HFADHN C[C@H](Sc1ncccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCCC1 ZINC001130518240 1079449436 /nfs/dbraw/zinc/44/94/36/1079449436.db2.gz ISJUOQDEHSZFOW-UHOSZYNNSA-N 0 3 416.591 2.931 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC001130544330 1079475828 /nfs/dbraw/zinc/47/58/28/1079475828.db2.gz NMLGIDHKTGMRGO-IBGZPJMESA-N 0 3 401.551 2.991 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335851 1076746703 /nfs/dbraw/zinc/74/67/03/1076746703.db2.gz VWOARKMIXJMFFG-KURKYZTESA-N 0 3 424.586 2.669 20 0 HFADHN C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335845 1076746753 /nfs/dbraw/zinc/74/67/53/1076746753.db2.gz VWOARKMIXJMFFG-FGTMMUONSA-N 0 3 424.586 2.669 20 0 HFADHN COc1cccc2[nH]cc(CCNC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)c21 ZINC000787310729 1076757208 /nfs/dbraw/zinc/75/72/08/1076757208.db2.gz PBFGRAXGTDTFJY-INIZCTEOSA-N 0 3 400.523 2.614 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)[nH]n2)C1 ZINC000787313323 1076758800 /nfs/dbraw/zinc/75/88/00/1076758800.db2.gz AFGROPSXHGJQGZ-HOTGVXAUSA-N 0 3 414.510 2.808 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000787313183 1076759409 /nfs/dbraw/zinc/75/94/09/1076759409.db2.gz WDVHHWMAEZKKIZ-LJQANCHMSA-N 0 3 417.550 2.795 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@H](N4CCCCC4)C3)n[nH]2)C1 ZINC000787337951 1076782790 /nfs/dbraw/zinc/78/27/90/1076782790.db2.gz USYDCCJTFNXDQB-IRXDYDNUSA-N 0 3 417.554 2.835 20 0 HFADHN C[C@H](OC(=O)C1CCN(c2ccc(F)cc2)C1=O)c1nnnn1C1CCCCC1 ZINC000787661587 1076902998 /nfs/dbraw/zinc/90/29/98/1076902998.db2.gz GSDZPRIDKVAZAA-SUMWQHHRSA-N 0 3 401.442 2.975 20 0 HFADHN C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000787663649 1076903868 /nfs/dbraw/zinc/90/38/68/1076903868.db2.gz ITBAOFHJMIAACE-CQSZACIVSA-N 0 3 401.429 2.611 20 0 HFADHN CC(C)c1ccc(N2CC[C@H](C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787673350 1076906564 /nfs/dbraw/zinc/90/65/64/1076906564.db2.gz QLBAUVDYJNNPLY-PGRDOPGGSA-N 0 3 413.562 2.875 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000787681552 1076909762 /nfs/dbraw/zinc/90/97/62/1076909762.db2.gz DWUIPPXDOHZJHO-XLIONFOSSA-N 0 3 417.550 2.964 20 0 HFADHN CN1CC[C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689537 1076913449 /nfs/dbraw/zinc/91/34/49/1076913449.db2.gz LKNOSDROOLGINY-OXJNMPFZSA-N 0 3 412.559 2.699 20 0 HFADHN O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000787757208 1076928686 /nfs/dbraw/zinc/92/86/86/1076928686.db2.gz SXDYQCZNZMBWEJ-KRWDZBQOSA-N 0 3 418.538 2.647 20 0 HFADHN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000787880371 1076974297 /nfs/dbraw/zinc/97/42/97/1076974297.db2.gz RYAYAZSSWLPETM-CABCVRRESA-N 0 3 411.930 2.683 20 0 HFADHN NC(=O)c1c(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995931 1077022964 /nfs/dbraw/zinc/02/29/64/1077022964.db2.gz OBWONSKKUHAKFK-XWIAVFTESA-N 0 3 403.548 2.602 20 0 HFADHN O=C(C1CCN(C2CC2)CC1)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000788182693 1077068064 /nfs/dbraw/zinc/06/80/64/1077068064.db2.gz CKQPVNGCOASBMK-UHFFFAOYSA-N 0 3 400.500 2.989 20 0 HFADHN CN1CCN(CCCNC(=O)CC2CCC3(CC2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000788154449 1077070126 /nfs/dbraw/zinc/07/01/26/1077070126.db2.gz FGPMJSBNCQSJMS-JOCHJYFZSA-N 0 3 415.578 2.805 20 0 HFADHN CN1CCN(CCCNC(=O)CC2CCC3(CC2)OCCO3)[C@H](c2ccccc2)C1 ZINC000788154450 1077070160 /nfs/dbraw/zinc/07/01/60/1077070160.db2.gz FGPMJSBNCQSJMS-QFIPXVFZSA-N 0 3 415.578 2.805 20 0 HFADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CC3CCC4(CC3)OCCO4)c2)CC1 ZINC000788171046 1077074330 /nfs/dbraw/zinc/07/43/30/1077074330.db2.gz WTDCRGFMRGQCGH-UHFFFAOYSA-N 0 3 415.534 2.646 20 0 HFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788362607 1077126195 /nfs/dbraw/zinc/12/61/95/1077126195.db2.gz FWPOBLRMRXZVHX-GOSISDBHSA-N 0 3 406.596 2.542 20 0 HFADHN CCC[C@@H]1CN(Cn2nc(-c3cnn(C)c3)ccc2=O)CCN1Cc1ccccc1 ZINC000788366241 1077128800 /nfs/dbraw/zinc/12/88/00/1077128800.db2.gz AMFCEVBCKMQIKR-OAQYLSRUSA-N 0 3 406.534 2.588 20 0 HFADHN CC1(C)CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377017 1077133525 /nfs/dbraw/zinc/13/35/25/1077133525.db2.gz DFRFGEQVRYVFSX-JOCHJYFZSA-N 0 3 416.591 2.748 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788422471 1077141107 /nfs/dbraw/zinc/14/11/07/1077141107.db2.gz WPPVTJKTCLBRKW-UHFFFAOYSA-N 0 3 411.568 2.768 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505057 1077184780 /nfs/dbraw/zinc/18/47/80/1077184780.db2.gz RGKHHXMJBHHACC-INMHGKMJSA-N 0 3 411.568 2.882 20 0 HFADHN COc1cc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cnc1Br ZINC000788531256 1077204216 /nfs/dbraw/zinc/20/42/16/1077204216.db2.gz WHLBQPPSUVIHJE-GXTWGEPZSA-N 0 3 400.342 2.505 20 0 HFADHN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(CN(C)C)cc3)CC2)c(F)c1 ZINC000788591726 1077215589 /nfs/dbraw/zinc/21/55/89/1077215589.db2.gz JDMYRSSENHVAKE-UHFFFAOYSA-N 0 3 419.522 2.601 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788608119 1077222206 /nfs/dbraw/zinc/22/22/06/1077222206.db2.gz IUUSCXIPJUBULU-UHFFFAOYSA-N 0 3 411.568 2.674 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000788677333 1077246567 /nfs/dbraw/zinc/24/65/67/1077246567.db2.gz SVPODQLFLMMXMV-HDICACEKSA-N 0 3 423.579 2.911 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](N[C@@H](C)[C@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670285 1077261617 /nfs/dbraw/zinc/26/16/17/1077261617.db2.gz IOUXWLSDMKTDFW-AITUJVMLSA-N 0 3 406.523 2.509 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](N[C@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825348 1077311001 /nfs/dbraw/zinc/31/10/01/1077311001.db2.gz YSCPWUJTULCXKQ-LNLFQRSKSA-N 0 3 404.507 2.911 20 0 HFADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000791214690 1077346829 /nfs/dbraw/zinc/34/68/29/1077346829.db2.gz LQEVDVHNHUDNDR-INIZCTEOSA-N 0 3 415.481 2.770 20 0 HFADHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000788915189 1077353061 /nfs/dbraw/zinc/35/30/61/1077353061.db2.gz HZQTZORDHCELSX-UHFFFAOYSA-N 0 3 407.458 2.684 20 0 HFADHN COc1ccc2nc(CNC3CCN(S(=O)(=O)C(F)(F)F)CC3)sc2c1 ZINC000788963498 1077364418 /nfs/dbraw/zinc/36/44/18/1077364418.db2.gz HLIQJHKXCIINNG-UHFFFAOYSA-N 0 3 409.455 2.709 20 0 HFADHN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)N1CCCCCC1 ZINC000791309616 1077381920 /nfs/dbraw/zinc/38/19/20/1077381920.db2.gz VLOUCTJPELDEOV-ROUUACIJSA-N 0 3 419.570 2.805 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](OC(=O)C3CC[C@H](C(F)(F)F)NC3=O)C2=O)c(C)c1 ZINC000789019544 1077386448 /nfs/dbraw/zinc/38/64/48/1077386448.db2.gz WDOXQRBGZRDNFO-SOUVJXGZSA-N 0 3 412.408 2.717 20 0 HFADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000747006670 1077390675 /nfs/dbraw/zinc/39/06/75/1077390675.db2.gz SHQXSUCYHUIHOP-UHFFFAOYSA-N 0 3 412.534 2.743 20 0 HFADHN CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000747008520 1077396075 /nfs/dbraw/zinc/39/60/75/1077396075.db2.gz QILNAHYABARJQC-XFXZXTDPSA-N 0 3 401.507 2.534 20 0 HFADHN COC(=O)CC1(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)CCCC1 ZINC000791584044 1077472073 /nfs/dbraw/zinc/47/20/73/1077472073.db2.gz PZVPWJZKZAHTLR-UHFFFAOYSA-N 0 3 401.507 2.763 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CC(=O)c4ccccc43)cc2)CC1 ZINC000789303035 1077506788 /nfs/dbraw/zinc/50/67/88/1077506788.db2.gz NQSWLVBVNCVWTL-NRFANRHFSA-N 0 3 421.497 2.680 20 0 HFADHN CN1CCC(NC(=S)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CC1 ZINC000789342371 1077528672 /nfs/dbraw/zinc/52/86/72/1077528672.db2.gz LLQWGJNBQZLEEV-UHFFFAOYSA-N 0 3 400.520 2.771 20 0 HFADHN CCOC(=O)CC1(NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCCC1 ZINC000789385721 1077532067 /nfs/dbraw/zinc/53/20/67/1077532067.db2.gz BDIHSONCKUXUIZ-UHFFFAOYSA-N 0 3 407.536 2.520 20 0 HFADHN COc1cccc(/C=C(/C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)n2nnnc2C)c1 ZINC000791716386 1077536536 /nfs/dbraw/zinc/53/65/36/1077536536.db2.gz ULWHBZLVSMZGMR-VHFLZWFGSA-N 0 3 420.517 2.796 20 0 HFADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000791717436 1077537363 /nfs/dbraw/zinc/53/73/63/1077537363.db2.gz YUTBZNYNGNGPLH-BPUTZDHNSA-N 0 3 401.429 2.957 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 ZINC000791827436 1077575618 /nfs/dbraw/zinc/57/56/18/1077575618.db2.gz ZGKPVRBYPGEGQS-UHFFFAOYSA-N 0 3 422.547 2.550 20 0 HFADHN CC(C)[C@H](C(=O)OCCCN1CCN(C(C)C)CC1)S(=O)(=O)C1CCCCC1 ZINC000791841535 1077581053 /nfs/dbraw/zinc/58/10/53/1077581053.db2.gz GBDWHAPKDTZPAM-HXUWFJFHSA-N 0 3 416.628 2.718 20 0 HFADHN CN(CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789520777 1077615531 /nfs/dbraw/zinc/61/55/31/1077615531.db2.gz IHGDDNYXFHUUJB-OAQYLSRUSA-N 0 3 405.498 2.796 20 0 HFADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]31)C2=O ZINC000791975237 1077617236 /nfs/dbraw/zinc/61/72/36/1077617236.db2.gz RHINAAAVARDZHH-FPOVZHCZSA-N 0 3 403.482 2.734 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCn1cnc2ccccc2c1=O ZINC000791979910 1077621270 /nfs/dbraw/zinc/62/12/70/1077621270.db2.gz FWJIZXVHTFIMJG-UGKGYDQZSA-N 0 3 402.498 2.930 20 0 HFADHN C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000792030710 1077657991 /nfs/dbraw/zinc/65/79/91/1077657991.db2.gz NLDWKCVLEMMETH-HNNXBMFYSA-N 0 3 400.589 2.560 20 0 HFADHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000792057178 1077664220 /nfs/dbraw/zinc/66/42/20/1077664220.db2.gz IKBAAYGEIACCEW-HSZRJFAPSA-N 0 3 422.529 2.964 20 0 HFADHN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000789558169 1077675628 /nfs/dbraw/zinc/67/56/28/1077675628.db2.gz KRRNPLNZROTALG-UHFFFAOYSA-N 0 3 419.529 2.752 20 0 HFADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792144479 1077721738 /nfs/dbraw/zinc/72/17/38/1077721738.db2.gz XNHJSTBECMIHIN-SFHVURJKSA-N 0 3 406.527 2.540 20 0 HFADHN CC(C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000789692571 1077730821 /nfs/dbraw/zinc/73/08/21/1077730821.db2.gz AHSGZHTVBBSNHD-AQNXPRMDSA-N 0 3 421.969 2.913 20 0 HFADHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)NC1(C(N)=O)CC1 ZINC000792173415 1077734190 /nfs/dbraw/zinc/73/41/90/1077734190.db2.gz HHDLURMRAPTBFR-ZDUSSCGKSA-N 0 3 415.515 2.916 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)C2)c1 ZINC000792222675 1077748510 /nfs/dbraw/zinc/74/85/10/1077748510.db2.gz IWRSOFXQTRFBTE-XAEMIUIASA-N 0 3 423.513 2.976 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)C2)c1 ZINC000792222672 1077748578 /nfs/dbraw/zinc/74/85/78/1077748578.db2.gz IWRSOFXQTRFBTE-CEXJFXJFSA-N 0 3 423.513 2.976 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C2)c1 ZINC000792213218 1077767815 /nfs/dbraw/zinc/76/78/15/1077767815.db2.gz YVVFUOXGXKLJER-JOCHJYFZSA-N 0 3 409.486 2.784 20 0 HFADHN COc1cccc([C@@H](O)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792279252 1077772925 /nfs/dbraw/zinc/77/29/25/1077772925.db2.gz UCWDHTGCVJNFME-HTWSVDAQSA-N 0 3 415.456 2.833 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCC[C@H](C2OCCO2)C1 ZINC000792273883 1077788834 /nfs/dbraw/zinc/78/88/34/1077788834.db2.gz AWKZFSIKFNSFLK-JEYLPNPQSA-N 0 3 405.461 2.586 20 0 HFADHN CCOC(=O)N1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000792274568 1077790003 /nfs/dbraw/zinc/79/00/03/1077790003.db2.gz FGCRZHGBGOXDKR-UHFFFAOYSA-N 0 3 420.476 2.666 20 0 HFADHN O=C(NC[C@H](O)c1ccc(F)cc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792276532 1077791329 /nfs/dbraw/zinc/79/13/29/1077791329.db2.gz WACUVJWYYHZALR-JCYILVPMSA-N 0 3 403.420 2.964 20 0 HFADHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120230 1077800158 /nfs/dbraw/zinc/80/01/58/1077800158.db2.gz ZMHKZKKDGKNKLQ-MSOLQXFVSA-N 0 3 413.609 2.919 20 0 HFADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815107 1077823587 /nfs/dbraw/zinc/82/35/87/1077823587.db2.gz WHIBIXXLEMQEKT-HOTGVXAUSA-N 0 3 401.507 2.599 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CC1)CCN([C@@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000792334354 1077824182 /nfs/dbraw/zinc/82/41/82/1077824182.db2.gz XEEHBZPZOBBKLN-LJQANCHMSA-N 0 3 421.582 2.879 20 0 HFADHN CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883568 1077834823 /nfs/dbraw/zinc/83/48/23/1077834823.db2.gz AFXJKRIWKZIRHT-YADHBBJMSA-N 0 3 406.530 2.553 20 0 HFADHN CCC[C@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@@H](O)c1ccccc1 ZINC000792405353 1077838992 /nfs/dbraw/zinc/83/89/92/1077838992.db2.gz BGDKTGKMVPRSJU-RXVVDRJESA-N 0 3 413.518 2.714 20 0 HFADHN CC[C@@]1(NCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CCOC1 ZINC000792417777 1077849218 /nfs/dbraw/zinc/84/92/18/1077849218.db2.gz JSNOHILSVKCSRR-JOCHJYFZSA-N 0 3 411.458 2.765 20 0 HFADHN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)=NO1 ZINC000789954677 1077866891 /nfs/dbraw/zinc/86/68/91/1077866891.db2.gz MZMRNKUMHKRHOU-HKUYNNGSSA-N 0 3 416.522 2.609 20 0 HFADHN CCOC(=O)c1cc2c(N(C(=N)N)c3ccc(N4CCOCC4)cc3)cc[nH]c-2n1 ZINC001170167295 1077877880 /nfs/dbraw/zinc/87/78/80/1077877880.db2.gz ZUIIASKAJMJOKU-UHFFFAOYSA-N 0 3 408.462 2.608 20 0 HFADHN Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792521619 1077886067 /nfs/dbraw/zinc/88/60/67/1077886067.db2.gz GVWMFPSGPARKLI-SFHVURJKSA-N 0 3 404.555 2.537 20 0 HFADHN CC(C)(C)OC(=O)N1CC(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792555421 1077902160 /nfs/dbraw/zinc/90/21/60/1077902160.db2.gz NYIAHYLIFOPORF-UHFFFAOYSA-N 0 3 405.461 2.775 20 0 HFADHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790038492 1077907310 /nfs/dbraw/zinc/90/73/10/1077907310.db2.gz IXRIXASRVFQFBU-WBVHZDCISA-N 0 3 411.568 2.672 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc2ccccc2c1C=O ZINC000790008542 1077910691 /nfs/dbraw/zinc/91/06/91/1077910691.db2.gz SFVYNQAMZUHCEU-UHFFFAOYSA-N 0 3 401.488 2.795 20 0 HFADHN C[C@H](Cc1ccccc1Cl)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001170274865 1077926174 /nfs/dbraw/zinc/92/61/74/1077926174.db2.gz RWHDTKZILBZUHL-MRXNPFEDSA-N 0 3 400.910 2.959 20 0 HFADHN C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)N1CCC(C)CC1 ZINC000790053298 1077932813 /nfs/dbraw/zinc/93/28/13/1077932813.db2.gz MRADXIBOVBNEMO-HXUWFJFHSA-N 0 3 414.594 2.572 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)NC2CCN(C(=O)OC(C)C)CC2)c1 ZINC000790354919 1078002504 /nfs/dbraw/zinc/00/25/04/1078002504.db2.gz VDAUQDIPVKQZDS-UHFFFAOYSA-N 0 3 420.554 2.778 20 0 HFADHN C[C@H]1CN(Cn2ccc(=O)c3cccc(Br)c32)CC2(CCOCC2)O1 ZINC000790391967 1078013194 /nfs/dbraw/zinc/01/31/94/1078013194.db2.gz HAOSSMDVXBUNOL-AWEZNQCLSA-N 0 3 407.308 2.991 20 0 HFADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000806254053 1079522199 /nfs/dbraw/zinc/52/21/99/1079522199.db2.gz YLSTUEXFDXOKIQ-SFTDATJTSA-N 0 3 401.551 2.651 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000806254936 1079523408 /nfs/dbraw/zinc/52/34/08/1079523408.db2.gz XLMRPRIHAZBRGW-NJYVYQBISA-N 0 3 419.541 2.621 20 0 HFADHN CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504638 1079533961 /nfs/dbraw/zinc/53/39/61/1079533961.db2.gz GQFHVQIBHCUTQM-ZACQAIPSSA-N 0 3 414.543 2.696 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000806290926 1079576059 /nfs/dbraw/zinc/57/60/59/1079576059.db2.gz XUGIRPIMYGKDMX-GOTSBHOMSA-N 0 3 423.557 2.513 20 0 HFADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747324657 1079592507 /nfs/dbraw/zinc/59/25/07/1079592507.db2.gz CTNUNOQEFICEAY-OALUTQOASA-N 0 3 402.926 2.664 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325889 1079594542 /nfs/dbraw/zinc/59/45/42/1079594542.db2.gz QXULJQJGFYFOTG-VQTJNVASSA-N 0 3 403.486 2.527 20 0 HFADHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747325398 1079600740 /nfs/dbraw/zinc/60/07/40/1079600740.db2.gz IRELCGOMKNDRIR-MSOLQXFVSA-N 0 3 405.502 2.537 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350516 1079623206 /nfs/dbraw/zinc/62/32/06/1079623206.db2.gz MXZPBMQPLVHDCX-ICSRJNTNSA-N 0 3 420.554 2.998 20 0 HFADHN Cc1ccc2nc(COc3cccc(C(=O)NC[C@H]4CN5CCC[C@@H]5CO4)c3)cn2c1 ZINC000747326641 1079631245 /nfs/dbraw/zinc/63/12/45/1079631245.db2.gz TYQHMUDCIIJBAG-IRLDBZIGSA-N 0 3 420.513 2.815 20 0 HFADHN C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)c1cccc(NS(C)(=O)=O)c1 ZINC000806472819 1079703928 /nfs/dbraw/zinc/70/39/28/1079703928.db2.gz MSSZMBCRMDNHIK-MRXNPFEDSA-N 0 3 422.551 2.876 20 0 HFADHN Cc1noc(C)c1CCCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000806479975 1079766054 /nfs/dbraw/zinc/76/60/54/1079766054.db2.gz AJIJACPRTHUAKA-UHFFFAOYSA-N 0 3 420.941 2.584 20 0 HFADHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747341877 1079875352 /nfs/dbraw/zinc/87/53/52/1079875352.db2.gz INNACQQYFUUEQX-IAGOWNOFSA-N 0 3 406.889 2.625 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341321 1079878427 /nfs/dbraw/zinc/87/84/27/1079878427.db2.gz FLLXIEAKPZAPQL-PCCBWWKXSA-N 0 3 421.541 2.671 20 0 HFADHN COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000806682141 1079910249 /nfs/dbraw/zinc/91/02/49/1079910249.db2.gz CAZUIUPKSFMKIM-HKUYNNGSSA-N 0 3 406.527 2.607 20 0 HFADHN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)C1 ZINC001130742357 1080006163 /nfs/dbraw/zinc/00/61/63/1080006163.db2.gz TULNEVXBVBSCSL-RTBURBONSA-N 0 3 417.550 2.621 20 0 HFADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001130757293 1080043001 /nfs/dbraw/zinc/04/30/01/1080043001.db2.gz AHODWEJCSPOEGM-RNHKPAHNSA-N 0 3 400.500 2.839 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000806904234 1080110258 /nfs/dbraw/zinc/11/02/58/1080110258.db2.gz XNNDMKPSYMPHSD-LJQANCHMSA-N 0 3 412.575 2.575 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000806953776 1080163849 /nfs/dbraw/zinc/16/38/49/1080163849.db2.gz JNHGAPCYADPTEQ-OGWOLHLISA-N 0 3 413.440 2.786 20 0 HFADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001130806730 1080175396 /nfs/dbraw/zinc/17/53/96/1080175396.db2.gz MSVCLZUZIJUFED-UHFFFAOYSA-N 0 3 400.957 2.617 20 0 HFADHN CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092873 1080272033 /nfs/dbraw/zinc/27/20/33/1080272033.db2.gz XTQYEMJCNKKKJV-HXUWFJFHSA-N 0 3 401.551 2.603 20 0 HFADHN CN1CCN(CCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1(C)C ZINC000807207823 1080357135 /nfs/dbraw/zinc/35/71/35/1080357135.db2.gz AREMDPPGUZQZON-QHCPKHFHSA-N 0 3 424.589 2.958 20 0 HFADHN CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)c2)CC1 ZINC000807181870 1080374594 /nfs/dbraw/zinc/37/45/94/1080374594.db2.gz YEAMQDVQPCUITO-QGZVFWFLSA-N 0 3 412.456 2.709 20 0 HFADHN Cc1ccc(C[C@H](C)NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)s1 ZINC000807277888 1080433545 /nfs/dbraw/zinc/43/35/45/1080433545.db2.gz BGYGTJXYKDAJRY-KRWDZBQOSA-N 0 3 401.576 2.737 20 0 HFADHN Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)s1 ZINC000807277889 1080433683 /nfs/dbraw/zinc/43/36/83/1080433683.db2.gz BGYGTJXYKDAJRY-QGZVFWFLSA-N 0 3 401.576 2.737 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000747389572 1080475138 /nfs/dbraw/zinc/47/51/38/1080475138.db2.gz KCTVSRYNHSHFNG-SFHVURJKSA-N 0 3 415.563 2.575 20 0 HFADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000747389550 1080475167 /nfs/dbraw/zinc/47/51/67/1080475167.db2.gz JSSCCLHGNUZGBF-KRWDZBQOSA-N 0 3 415.563 2.718 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)OC ZINC000807334809 1080534850 /nfs/dbraw/zinc/53/48/50/1080534850.db2.gz UNJSIXRVTWEHKQ-UHFFFAOYSA-N 0 3 403.523 2.870 20 0 HFADHN CNC(=O)Oc1cccc(OC(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130932627 1080578761 /nfs/dbraw/zinc/57/87/61/1080578761.db2.gz NMSALWBVWGYGET-MOPGFXCFSA-N 0 3 400.479 2.558 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441116 1080661796 /nfs/dbraw/zinc/66/17/96/1080661796.db2.gz AGJJHTUNYIOYPT-DCGLDWPTSA-N 0 3 405.417 2.846 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442372 1080662535 /nfs/dbraw/zinc/66/25/35/1080662535.db2.gz ZDBSNUWJEOGNHU-AITUJVMLSA-N 0 3 403.527 2.740 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807444000 1080664758 /nfs/dbraw/zinc/66/47/58/1080664758.db2.gz XKYPJNVZGWJKMG-GVDBMIGSSA-N 0 3 424.542 2.644 20 0 HFADHN COC(=O)Nc1cccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000807494109 1080685266 /nfs/dbraw/zinc/68/52/66/1080685266.db2.gz WIJYHAUZFMOHGK-IBGZPJMESA-N 0 3 400.479 2.976 20 0 HFADHN COC(=O)Nc1cccc(CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000807494110 1080685274 /nfs/dbraw/zinc/68/52/74/1080685274.db2.gz WIJYHAUZFMOHGK-LJQANCHMSA-N 0 3 400.479 2.976 20 0 HFADHN Cc1cccc(F)c1CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000807519904 1080772962 /nfs/dbraw/zinc/77/29/62/1080772962.db2.gz SUPZIAUKWFBVCF-UHFFFAOYSA-N 0 3 411.521 2.917 20 0 HFADHN Cc1csc2nc(CN[C@](C)(CO)Cc3ccc(Br)cc3)cc(=O)n12 ZINC001176589579 1126149781 /nfs/dbraw/zinc/14/97/81/1126149781.db2.gz XIVGBQZHJUXFLK-SFHVURJKSA-N 0 3 422.348 2.910 20 0 HFADHN CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3NCc4ccccc4[C@H]3C2)cnc1Cl ZINC001164429892 718948612 /nfs/dbraw/zinc/94/86/12/718948612.db2.gz QMGXCVCCBZQUES-CABCVRRESA-N 0 3 413.877 2.759 20 0 HFADHN CCOC(=O)C1CCN(C2CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)CC1 ZINC001164618060 719035039 /nfs/dbraw/zinc/03/50/39/719035039.db2.gz RQJMPIVXWSEQJY-GOSISDBHSA-N 0 3 400.882 2.501 20 0 HFADHN c1cncc(OCc2nnn3c2CN(c2ccc(CN4CCCC4)cn2)CCC3)c1 ZINC001164652746 719327978 /nfs/dbraw/zinc/32/79/78/719327978.db2.gz FJJLTWMJGITAPQ-UHFFFAOYSA-N 0 3 405.506 2.653 20 0 HFADHN Cn1ncc2c1CN(c1ncccc1CN1CCCC1)C[C@H]2COc1cccnc1 ZINC001164687241 719599872 /nfs/dbraw/zinc/59/98/72/719599872.db2.gz RUADJTNQOPVRJD-IBGZPJMESA-N 0 3 404.518 2.989 20 0 HFADHN O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c3)cc21 ZINC001164729039 720376799 /nfs/dbraw/zinc/37/67/99/720376799.db2.gz UVEACVQTJRYQPR-VXKWHMMOSA-N 0 3 414.513 2.611 20 0 HFADHN O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c3)cc21 ZINC001164729041 720377602 /nfs/dbraw/zinc/37/76/02/720377602.db2.gz UVEACVQTJRYQPR-YADHBBJMSA-N 0 3 414.513 2.611 20 0 HFADHN C[C@@H]1CCc2c(sc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)C1 ZINC001164738521 720691877 /nfs/dbraw/zinc/69/18/77/720691877.db2.gz KJAOLLURKSPJHH-OAGGEKHMSA-N 0 3 422.558 2.948 20 0 HFADHN Fc1cc2ncnc(Cl)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744908 720744660 /nfs/dbraw/zinc/74/46/60/720744660.db2.gz TUVYUCLMGUXSAD-KBPBESRZSA-N 0 3 400.845 2.554 20 0 HFADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745843 720773349 /nfs/dbraw/zinc/77/33/49/720773349.db2.gz WAQXGFHHKUTZCT-PMACEKPBSA-N 0 3 416.529 2.967 20 0 HFADHN Clc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC001164738575 720779478 /nfs/dbraw/zinc/77/94/78/720779478.db2.gz GBJOXYHMUSUGKY-IRXDYDNUSA-N 0 3 408.893 2.929 20 0 HFADHN CCOc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738627 720779723 /nfs/dbraw/zinc/77/97/23/720779723.db2.gz GMPPSIQQIJOTSH-AZUAARDMSA-N 0 3 418.501 2.674 20 0 HFADHN c1ccc(COc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867128 721062879 /nfs/dbraw/zinc/06/28/79/721062879.db2.gz IHCRXZYOEDFWRL-VXKWHMMOSA-N 0 3 417.513 2.930 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CSC2 ZINC001164866244 721069437 /nfs/dbraw/zinc/06/94/37/721069437.db2.gz DALFYFWIGOTQKY-LSDHHAIUSA-N 0 3 403.939 2.752 20 0 HFADHN COc1cc2ncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164867373 721081536 /nfs/dbraw/zinc/08/15/36/721081536.db2.gz YEXIVFMABDLYHR-ROUUACIJSA-N 0 3 421.501 2.522 20 0 HFADHN COCc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164766594 721082333 /nfs/dbraw/zinc/08/23/33/721082333.db2.gz KWQUWFHSYIQQHF-SFTDATJTSA-N 0 3 418.545 2.982 20 0 HFADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863469 721111365 /nfs/dbraw/zinc/11/13/65/721111365.db2.gz CIKRKHNFOAHZLN-WOJBJXKFSA-N 0 3 418.497 2.896 20 0 HFADHN COc1ccc2nc(Cl)cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2n1 ZINC001164765679 721143177 /nfs/dbraw/zinc/14/31/77/721143177.db2.gz KBJQVIUKBXVWBG-HOTGVXAUSA-N 0 3 412.925 2.984 20 0 HFADHN CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762077 721148072 /nfs/dbraw/zinc/14/80/72/721148072.db2.gz BUIVBDYFNYJIQY-SJORKVTESA-N 0 3 417.941 2.912 20 0 HFADHN c1ccc(Cc2nccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880334 721160795 /nfs/dbraw/zinc/16/07/95/721160795.db2.gz VYUPBXJVGLFCPN-VXKWHMMOSA-N 0 3 401.514 2.942 20 0 HFADHN c1ccc(Cc2nccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880331 721161173 /nfs/dbraw/zinc/16/11/73/721161173.db2.gz VYUPBXJVGLFCPN-FGZHOGPDSA-N 0 3 401.514 2.942 20 0 HFADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(CN(C)C)ccn3)C2)C1 ZINC001164784114 721370755 /nfs/dbraw/zinc/37/07/55/721370755.db2.gz QLYWYIBTKVTXAC-HSZRJFAPSA-N 0 3 413.566 2.867 20 0 HFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892502 721417167 /nfs/dbraw/zinc/41/71/67/721417167.db2.gz YPECOUBUILWDML-HOYKHHGWSA-N 0 3 420.561 2.877 20 0 HFADHN CCOC(=O)c1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900117 721511047 /nfs/dbraw/zinc/51/10/47/721511047.db2.gz OFVGJCWIIXBDCF-ZBFHGGJFSA-N 0 3 420.872 2.788 20 0 HFADHN COCc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164909232 721532263 /nfs/dbraw/zinc/53/22/63/721532263.db2.gz QZJSVSQBJQJFHV-FUHWJXTLSA-N 0 3 404.511 2.826 20 0 HFADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164912351 721532891 /nfs/dbraw/zinc/53/28/91/721532891.db2.gz YZUWCPSIEGBXOX-SJLPKXTDSA-N 0 3 413.497 2.942 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164905299 721550910 /nfs/dbraw/zinc/55/09/10/721550910.db2.gz GMVZMRGVRRJRIM-GOEBONIOSA-N 0 3 416.888 2.806 20 0 HFADHN COC(=O)Cc1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905993 721701470 /nfs/dbraw/zinc/70/14/70/721701470.db2.gz KUQGUUPICAAQLU-NRFANRHFSA-N 0 3 416.472 2.930 20 0 HFADHN O=C1COc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ccc2N1 ZINC001164907845 721703985 /nfs/dbraw/zinc/70/39/85/721703985.db2.gz UTWNJHYPVKSCDW-HXUWFJFHSA-N 0 3 415.444 2.545 20 0 HFADHN O=C1COc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2N1 ZINC001164908717 721706676 /nfs/dbraw/zinc/70/66/76/721706676.db2.gz YTGXIBLRPFSWLU-HXUWFJFHSA-N 0 3 415.444 2.545 20 0 HFADHN c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc(CN3CCCC3)cn2)c1 ZINC001165015915 721781675 /nfs/dbraw/zinc/78/16/75/721781675.db2.gz BQSSEYLBYCBMLW-XPNTWCBSSA-N 0 3 411.550 2.717 20 0 HFADHN c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc(CN3CCCC3)cn2)c1 ZINC001165015914 721781880 /nfs/dbraw/zinc/78/18/80/721781880.db2.gz BQSSEYLBYCBMLW-XJUOHMSHSA-N 0 3 411.550 2.717 20 0 HFADHN CN1CCN(c2ccc(N3CCN(c4ccnc5cc(Cl)ccc54)CC3)nn2)CC1 ZINC001165044587 721939454 /nfs/dbraw/zinc/93/94/54/721939454.db2.gz OFJBFPFFUWBFOE-UHFFFAOYSA-N 0 3 423.952 2.757 20 0 HFADHN c1cc(CN2CCOCC3(CCN(c4cc(N5CCCCC5)ncn4)CC3)C2)ccn1 ZINC001164960668 722059539 /nfs/dbraw/zinc/05/95/39/722059539.db2.gz GPRPJDMOZVVJOF-UHFFFAOYSA-N 0 3 422.577 2.981 20 0 HFADHN CS(=O)(=O)N1C[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2c2ccccc21 ZINC001164972864 722090549 /nfs/dbraw/zinc/09/05/49/722090549.db2.gz ITYBMOWXECFMPX-AZUAARDMSA-N 0 3 412.559 2.677 20 0 HFADHN FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983374 722098608 /nfs/dbraw/zinc/09/86/08/722098608.db2.gz PQSRZOJAVWISHN-HZPDHXFCSA-N 0 3 409.868 2.797 20 0 HFADHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978209 722099184 /nfs/dbraw/zinc/09/91/84/722099184.db2.gz GESKSEBFPUUXLC-RTWAWAEBSA-N 0 3 408.550 2.508 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164985141 722100036 /nfs/dbraw/zinc/10/00/36/722100036.db2.gz UZGXIQHWZSNECX-GOEBONIOSA-N 0 3 416.888 2.873 20 0 HFADHN CCOC(=O)c1cc(C)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983440 722105607 /nfs/dbraw/zinc/10/56/07/722105607.db2.gz QDUDMQVIWJMTKT-CTNGQTDRSA-N 0 3 410.518 2.689 20 0 HFADHN COc1ccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164979192 722119440 /nfs/dbraw/zinc/11/94/40/722119440.db2.gz PMPRURBEKZTDTH-GCJKJVERSA-N 0 3 405.502 2.761 20 0 HFADHN FC(F)(c1nccnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978063 722136731 /nfs/dbraw/zinc/13/67/31/722136731.db2.gz JMEKBMMCVJWIFY-CVEARBPZSA-N 0 3 409.868 2.797 20 0 HFADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164980253 722139026 /nfs/dbraw/zinc/13/90/26/722139026.db2.gz MEKIFAMVGVJNQE-IRLDBZIGSA-N 0 3 416.529 2.969 20 0 HFADHN COc1nnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164985488 722139721 /nfs/dbraw/zinc/13/97/21/722139721.db2.gz ZQCJXSLUOZHTIM-RXVVDRJESA-N 0 3 405.502 2.761 20 0 HFADHN c1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)nc1 ZINC001164980909 722145055 /nfs/dbraw/zinc/14/50/55/722145055.db2.gz NQCZVJLXBRZLPR-SIKLNZKXSA-N 0 3 402.502 2.661 20 0 HFADHN c1cc2c(nc(C3CC3)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164973052 722154020 /nfs/dbraw/zinc/15/40/20/722154020.db2.gz KNYRYKHKZFGPDU-AZUAARDMSA-N 0 3 404.518 2.958 20 0 HFADHN c1csc(-c2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164972169 722156905 /nfs/dbraw/zinc/15/69/05/722156905.db2.gz GIWOWWJPKHJKLN-ROUUACIJSA-N 0 3 408.531 2.722 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995937 1078044193 /nfs/dbraw/zinc/04/41/93/1078044193.db2.gz CTFKKUPSJNXVBE-SLYNCCJLSA-N 0 3 414.550 2.817 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)nc1Br ZINC000793049127 1078056447 /nfs/dbraw/zinc/05/64/47/1078056447.db2.gz CDJUTGOZHJNSKH-CZUORRHYSA-N 0 3 419.323 2.899 20 0 HFADHN C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H](c1ccccc1)N(C)C ZINC000793050292 1078056636 /nfs/dbraw/zinc/05/66/36/1078056636.db2.gz MDMPLHZAIMWLQV-WBMJQRKESA-N 0 3 405.296 2.590 20 0 HFADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)N(C)C ZINC000793059224 1078069295 /nfs/dbraw/zinc/06/92/95/1078069295.db2.gz WPUXJUFWRQQGKH-CXAGYDPISA-N 0 3 419.323 2.899 20 0 HFADHN CC[C@H](Cc1ccc2c(c1)OCO2)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC001170426359 1078084598 /nfs/dbraw/zinc/08/45/98/1078084598.db2.gz RFRGXPBIKBRHQV-MOPGFXCFSA-N 0 3 412.486 2.704 20 0 HFADHN C[C@H]1C[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793164413 1078085763 /nfs/dbraw/zinc/08/57/63/1078085763.db2.gz WEJPNDVDMIRHTB-IRXDYDNUSA-N 0 3 417.554 2.808 20 0 HFADHN C[C@@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000793146819 1078089826 /nfs/dbraw/zinc/08/98/26/1078089826.db2.gz BXYIMPCLEMMZBH-VGOFRKELSA-N 0 3 400.523 2.737 20 0 HFADHN COc1cnccc1N1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000793155555 1078092306 /nfs/dbraw/zinc/09/23/06/1078092306.db2.gz ZBHNIYFKHCCMFQ-UHFFFAOYSA-N 0 3 410.518 2.752 20 0 HFADHN Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000790707693 1078102699 /nfs/dbraw/zinc/10/26/99/1078102699.db2.gz CILNEJSWPYMWBZ-MSOLQXFVSA-N 0 3 406.958 2.733 20 0 HFADHN CS(=O)(=O)CC[C@@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000793247887 1078109613 /nfs/dbraw/zinc/10/96/13/1078109613.db2.gz SUROGPGLHVCNQM-FQEVSTJZSA-N 0 3 423.648 2.815 20 0 HFADHN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)ccc21 ZINC000793290327 1078119475 /nfs/dbraw/zinc/11/94/75/1078119475.db2.gz FGJFIWZYHXJHHX-OALUTQOASA-N 0 3 415.534 2.967 20 0 HFADHN C[C@]1(NCc2ccc(S(C)(=O)=O)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345059 1078131173 /nfs/dbraw/zinc/13/11/73/1078131173.db2.gz XBTQDRAVMJINAR-NRFANRHFSA-N 0 3 402.516 2.981 20 0 HFADHN CC(C)N1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793384925 1078162307 /nfs/dbraw/zinc/16/23/07/1078162307.db2.gz QBKJLJNJCUMCFV-BGYRXZFFSA-N 0 3 410.518 2.521 20 0 HFADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793418610 1078177776 /nfs/dbraw/zinc/17/77/76/1078177776.db2.gz YUTIOIJCVMRUPQ-LJQANCHMSA-N 0 3 424.586 2.696 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513300 1078195568 /nfs/dbraw/zinc/19/55/68/1078195568.db2.gz BCJMQJXORQJBCG-DYESRHJHSA-N 0 3 413.493 2.915 20 0 HFADHN CCN1CCN(C[C@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793493081 1078200699 /nfs/dbraw/zinc/20/06/99/1078200699.db2.gz JTEGYQXLDCLJRZ-GFCCVEGCSA-N 0 3 406.568 2.699 20 0 HFADHN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000793493608 1078201502 /nfs/dbraw/zinc/20/15/02/1078201502.db2.gz ONFVDDMWZWPZOL-INIZCTEOSA-N 0 3 404.555 2.955 20 0 HFADHN COc1ccc(CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)[C@H](C)C2CC2)cc1 ZINC000793716159 1078262998 /nfs/dbraw/zinc/26/29/98/1078262998.db2.gz XKYOSKOSUNZOFR-QZTJIDSGSA-N 0 3 401.551 2.813 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1)N1CCCCC1 ZINC000793717541 1078264232 /nfs/dbraw/zinc/26/42/32/1078264232.db2.gz MMOJMLWEGXONDG-GOSISDBHSA-N 0 3 412.534 2.723 20 0 HFADHN COc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c(OC2CCCC2)c1 ZINC000793725934 1078267511 /nfs/dbraw/zinc/26/75/11/1078267511.db2.gz RDCIPBYFLXDBPT-QGZVFWFLSA-N 0 3 417.550 2.623 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)N1CCCCC1 ZINC000793729450 1078268771 /nfs/dbraw/zinc/26/87/71/1078268771.db2.gz WPDBAEALJQVMNZ-HNNXBMFYSA-N 0 3 422.367 2.588 20 0 HFADHN COc1ccccc1C1(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)CCCC1 ZINC000793729416 1078268785 /nfs/dbraw/zinc/26/87/85/1078268785.db2.gz WGUPZJNXAFZOBJ-SFHVURJKSA-N 0 3 401.551 2.614 20 0 HFADHN C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000793695187 1078271006 /nfs/dbraw/zinc/27/10/06/1078271006.db2.gz MKRMLKCFJQPCNF-NRFANRHFSA-N 0 3 423.557 2.737 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)N1CCCCC1 ZINC000793694790 1078271176 /nfs/dbraw/zinc/27/11/76/1078271176.db2.gz BMKXAWILDCMDJV-SJORKVTESA-N 0 3 414.575 2.993 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000793695671 1078271900 /nfs/dbraw/zinc/27/19/00/1078271900.db2.gz FBPGRWVAWJWAOA-JXFKEZNVSA-N 0 3 421.969 2.603 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC1(c2ccc(F)cc2F)CCCC1)N1CCCCC1 ZINC000793696645 1078272082 /nfs/dbraw/zinc/27/20/82/1078272082.db2.gz HEAUKLVTIRYCLL-INIZCTEOSA-N 0 3 407.505 2.883 20 0 HFADHN COc1cccc(C2(CNC(=O)C(=O)NC[C@H](C)N3CCCCC3)CCCC2)c1 ZINC000793702150 1078274376 /nfs/dbraw/zinc/27/43/76/1078274376.db2.gz SMDOBFWCTHKRRN-SFHVURJKSA-N 0 3 401.551 2.614 20 0 HFADHN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000793899628 1078343532 /nfs/dbraw/zinc/34/35/32/1078343532.db2.gz BGYCTIQLMWZGDP-OPYAIIAOSA-N 0 3 421.557 2.580 20 0 HFADHN COCC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793973129 1078349977 /nfs/dbraw/zinc/34/99/77/1078349977.db2.gz ZIHBFAIGMHFYBI-GOSISDBHSA-N 0 3 409.571 2.783 20 0 HFADHN COCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793982841 1078356013 /nfs/dbraw/zinc/35/60/13/1078356013.db2.gz QUGAXSNJFQHBGC-KRWDZBQOSA-N 0 3 411.587 2.887 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001170441688 1078356313 /nfs/dbraw/zinc/35/63/13/1078356313.db2.gz JMJBBTCUNYWUDO-WMZHIEFXSA-N 0 3 410.518 2.755 20 0 HFADHN COc1cnccc1N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000794338644 1078419517 /nfs/dbraw/zinc/41/95/17/1078419517.db2.gz ILBHIJVMJROYOK-UHFFFAOYSA-N 0 3 404.511 2.576 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000794340279 1078419841 /nfs/dbraw/zinc/41/98/41/1078419841.db2.gz UVQKKIFTGDEISB-UHFFFAOYSA-N 0 3 407.927 2.763 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000794344012 1078420487 /nfs/dbraw/zinc/42/04/87/1078420487.db2.gz LTXRBRQMIGRTEU-UHFFFAOYSA-N 0 3 408.502 2.635 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000794342879 1078420491 /nfs/dbraw/zinc/42/04/91/1078420491.db2.gz HZZAHIZYWLDLPU-QGZVFWFLSA-N 0 3 406.527 2.678 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000794344622 1078421109 /nfs/dbraw/zinc/42/11/09/1078421109.db2.gz NCEKNRNRCOUGLN-UHFFFAOYSA-N 0 3 406.527 2.822 20 0 HFADHN CC[C@]1(C(=O)N2CCN(c3ccncc3OC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000794346815 1078421501 /nfs/dbraw/zinc/42/15/01/1078421501.db2.gz XGLAHRZZJZFYMT-JOCHJYFZSA-N 0 3 418.538 2.919 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC000794346686 1078421565 /nfs/dbraw/zinc/42/15/65/1078421565.db2.gz WLNLMSWCSTYMTC-LJQANCHMSA-N 0 3 422.529 2.717 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000804441239 1078505154 /nfs/dbraw/zinc/50/51/54/1078505154.db2.gz GJTCPEANXJHGKV-UHFFFAOYSA-N 0 3 411.543 2.558 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000804442487 1078509084 /nfs/dbraw/zinc/50/90/84/1078509084.db2.gz DAZSHOXDIPBOFM-NHCUHLMSSA-N 0 3 424.545 2.913 20 0 HFADHN Cc1cncn1CC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129611153 1078581881 /nfs/dbraw/zinc/58/18/81/1078581881.db2.gz FIILRSJKLHRYIW-UHFFFAOYSA-N 0 3 401.942 2.658 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000804971732 1078807243 /nfs/dbraw/zinc/80/72/43/1078807243.db2.gz MFXQLHDTEPRIKE-UHFFFAOYSA-N 0 3 407.558 2.856 20 0 HFADHN COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000805110751 1078895122 /nfs/dbraw/zinc/89/51/22/1078895122.db2.gz HAIFSCCMUJSNQL-BXUZGUMPSA-N 0 3 421.332 2.844 20 0 HFADHN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000805074721 1078906630 /nfs/dbraw/zinc/90/66/30/1078906630.db2.gz OIEOUVMXCSMGSF-DOTOQJQBSA-N 0 3 401.429 2.632 20 0 HFADHN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000747232018 1078949994 /nfs/dbraw/zinc/94/99/94/1078949994.db2.gz PTXRFFLQUYTDRD-BDTNDASRSA-N 0 3 407.514 2.527 20 0 HFADHN Cc1ccc(-n2ncc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231749 1078950626 /nfs/dbraw/zinc/95/06/26/1078950626.db2.gz NFLPGFFYSSUZPH-HOTGVXAUSA-N 0 3 408.424 2.793 20 0 HFADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231431 1078966842 /nfs/dbraw/zinc/96/68/42/1078966842.db2.gz KNFFVISDISQQDT-IRXDYDNUSA-N 0 3 419.323 2.536 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1 ZINC000805199137 1078971761 /nfs/dbraw/zinc/97/17/61/1078971761.db2.gz XFCMIQAHEPYOON-QFIPXVFZSA-N 0 3 414.937 2.831 20 0 HFADHN Cc1cccc(-n2ncc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2C(F)(F)F)c1 ZINC000747235899 1079004545 /nfs/dbraw/zinc/00/45/45/1079004545.db2.gz JDVFDYXMPDKMOA-HOTGVXAUSA-N 0 3 408.424 2.793 20 0 HFADHN CC(C)C[C@@]1(C)CCCN1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001170479645 1079017210 /nfs/dbraw/zinc/01/72/10/1079017210.db2.gz KMLPMVFHDRLCCC-DHIUTWEWSA-N 0 3 414.550 2.862 20 0 HFADHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000805335967 1079024368 /nfs/dbraw/zinc/02/43/68/1079024368.db2.gz YSPAFSHGOUGDRH-YOEHRIQHSA-N 0 3 411.543 2.601 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000747253101 1079160136 /nfs/dbraw/zinc/16/01/36/1079160136.db2.gz IFOGXCYHYMSRNW-QGZVFWFLSA-N 0 3 420.506 2.803 20 0 HFADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc2)C1 ZINC001130300782 1079192212 /nfs/dbraw/zinc/19/22/12/1079192212.db2.gz DIYYXOOMQJITHL-UIFIKXQLSA-N 0 3 419.591 2.854 20 0 HFADHN CCN(C)C(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805762777 1079265044 /nfs/dbraw/zinc/26/50/44/1079265044.db2.gz UFBHFPGYPAOSFG-HNNXBMFYSA-N 0 3 424.929 2.710 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000805832599 1079271769 /nfs/dbraw/zinc/27/17/69/1079271769.db2.gz JEGBIJIQNQNPDI-UHFFFAOYSA-N 0 3 402.539 2.691 20 0 HFADHN C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001130393004 1079273831 /nfs/dbraw/zinc/27/38/31/1079273831.db2.gz DICQHXJZOFVJIZ-UUOWRZLLSA-N 0 3 407.514 2.971 20 0 HFADHN CCOC(=O)CN1CCC(COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000805878854 1079318875 /nfs/dbraw/zinc/31/88/75/1079318875.db2.gz VKITYWDZZIGHGE-UHFFFAOYSA-N 0 3 402.535 2.717 20 0 HFADHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000805940742 1079343230 /nfs/dbraw/zinc/34/32/30/1079343230.db2.gz BDHJGQFSNYXMKB-KNQAVFIVSA-N 0 3 411.546 2.514 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)N(C)Cc1ccccc1 ZINC000805941896 1079344318 /nfs/dbraw/zinc/34/43/18/1079344318.db2.gz CFGJAUNFBAORJY-WMZHIEFXSA-N 0 3 423.557 2.907 20 0 HFADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518223 1079449447 /nfs/dbraw/zinc/44/94/47/1079449447.db2.gz ILSABPOKXLRZIM-UXHICEINSA-N 0 3 405.564 2.608 20 0 HFADHN Cc1cccc2nc(C(=O)Nc3ccc(OCCCN4CCN(C)CC4)cc3)cn21 ZINC001130542175 1079462856 /nfs/dbraw/zinc/46/28/56/1079462856.db2.gz QXDINPGFAMZZMP-UHFFFAOYSA-N 0 3 407.518 2.911 20 0 HFADHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000787332481 1076744908 /nfs/dbraw/zinc/74/49/08/1076744908.db2.gz LNDJXQIMLBDQKC-JENIJYKNSA-N 0 3 424.586 2.527 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000787335848 1076746677 /nfs/dbraw/zinc/74/66/77/1076746677.db2.gz VWOARKMIXJMFFG-KSZLIROESA-N 0 3 424.586 2.669 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1)N1CCCCC1 ZINC000787365515 1076774942 /nfs/dbraw/zinc/77/49/42/1076774942.db2.gz QVPPTLQBCPXINF-FQEVSTJZSA-N 0 3 407.558 2.947 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@H](N4CCCCC4)C3)n[nH]2)C1 ZINC000787337952 1076782860 /nfs/dbraw/zinc/78/28/60/1076782860.db2.gz USYDCCJTFNXDQB-SJORKVTESA-N 0 3 417.554 2.835 20 0 HFADHN C[C@@H](NC(=O)C(=O)NCCN1CCC[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674492 1076890116 /nfs/dbraw/zinc/89/01/16/1076890116.db2.gz HRILGBLJYYYGTJ-UONOGXRCSA-N 0 3 401.429 2.611 20 0 HFADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668845 1076905206 /nfs/dbraw/zinc/90/52/06/1076905206.db2.gz HPOAZHXSCLPLJI-DOTOQJQBSA-N 0 3 411.468 2.869 20 0 HFADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000787681482 1076909522 /nfs/dbraw/zinc/90/95/22/1076909522.db2.gz CSIKPWMHXYXBBJ-ZSYKKXJESA-N 0 3 423.513 2.762 20 0 HFADHN Cc1occc1C(=O)NC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787716323 1076924089 /nfs/dbraw/zinc/92/40/89/1076924089.db2.gz HDKHWNYTNAYEIJ-AVRDEDQJSA-N 0 3 421.538 2.543 20 0 HFADHN Cc1cc(C(=O)NC2CCN(CCOCCNC(=O)OC(C)(C)C)CC2)c(C)o1 ZINC000787718478 1076924628 /nfs/dbraw/zinc/92/46/28/1076924628.db2.gz QVSDYLZZPSWKBL-UHFFFAOYSA-N 0 3 409.527 2.632 20 0 HFADHN CC(C)(C)OC(=O)N1CC(N[C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754318 1076928023 /nfs/dbraw/zinc/92/80/23/1076928023.db2.gz LMOCPRAJEOBTSU-IAGOWNOFSA-N 0 3 411.543 2.610 20 0 HFADHN O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000787757212 1076928654 /nfs/dbraw/zinc/92/86/54/1076928654.db2.gz SXDYQCZNZMBWEJ-QGZVFWFLSA-N 0 3 418.538 2.647 20 0 HFADHN Cc1nccn1-c1ccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000787764101 1076930874 /nfs/dbraw/zinc/93/08/74/1076930874.db2.gz YHXBDNLQOIVZIG-ZDUSSCGKSA-N 0 3 402.296 2.678 20 0 HFADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CCCCCCC3)CC2)c1 ZINC000788050139 1077041909 /nfs/dbraw/zinc/04/19/09/1077041909.db2.gz RKUJYAKZHWDXJG-UHFFFAOYSA-N 0 3 414.594 2.806 20 0 HFADHN COc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)cnc1Br ZINC000788167824 1077073117 /nfs/dbraw/zinc/07/31/17/1077073117.db2.gz WHVCWRYHPGUAIE-UHFFFAOYSA-N 0 3 414.369 2.944 20 0 HFADHN COc1ccc([C@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)N2CCCC2)cc1 ZINC000788260771 1077088363 /nfs/dbraw/zinc/08/83/63/1077088363.db2.gz HFLVYPXCRBRRKX-LPHOPBHVSA-N 0 3 410.522 2.525 20 0 HFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788362608 1077126179 /nfs/dbraw/zinc/12/61/79/1077126179.db2.gz FWPOBLRMRXZVHX-SFHVURJKSA-N 0 3 406.596 2.542 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000788422469 1077140643 /nfs/dbraw/zinc/14/06/43/1077140643.db2.gz WOCRWKPQHOJHED-KRWDZBQOSA-N 0 3 402.438 2.779 20 0 HFADHN Cn1ccc(N2CCC[C@H](OC(=O)C3(C)CCN(Cc4ccccc4)CC3)C2=O)n1 ZINC000772719850 1077172242 /nfs/dbraw/zinc/17/22/42/1077172242.db2.gz XBIGBPZTWSYFLZ-IBGZPJMESA-N 0 3 410.518 2.761 20 0 HFADHN COC(=O)c1cccc(OCC(=N)NOCc2ncc(Br)s2)c1 ZINC000788503138 1077184169 /nfs/dbraw/zinc/18/41/69/1077184169.db2.gz RFBANLXRKUISPN-UHFFFAOYSA-N 0 3 400.254 2.770 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558795 1077201185 /nfs/dbraw/zinc/20/11/85/1077201185.db2.gz VYGPFYJBIBPYPG-QRVBRYPASA-N 0 3 423.529 2.959 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000788619714 1077231253 /nfs/dbraw/zinc/23/12/53/1077231253.db2.gz RISBZCDTDXJNAW-HXUWFJFHSA-N 0 3 411.568 2.720 20 0 HFADHN CCc1ccc([C@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC000788621759 1077232202 /nfs/dbraw/zinc/23/22/02/1077232202.db2.gz VUPSVLFLUZCKHJ-HKUYNNGSSA-N 0 3 418.538 2.638 20 0 HFADHN CCN1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@H](C)C1 ZINC000788634459 1077239998 /nfs/dbraw/zinc/23/99/98/1077239998.db2.gz JYRVIDDYPJQETN-PWSUYJOCSA-N 0 3 408.973 2.847 20 0 HFADHN CCN1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@@H]1C ZINC000788635436 1077240936 /nfs/dbraw/zinc/24/09/36/1077240936.db2.gz YJAIYKAHGLQWID-JQWIXIFHSA-N 0 3 408.973 2.990 20 0 HFADHN CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)Cc1ccccc1 ZINC000788688849 1077251783 /nfs/dbraw/zinc/25/17/83/1077251783.db2.gz MHINKQIKHFZMRM-FGZHOGPDSA-N 0 3 408.546 2.602 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000788671137 1077262203 /nfs/dbraw/zinc/26/22/03/1077262203.db2.gz YLYQMQQPBSOUES-OAQYLSRUSA-N 0 3 423.579 2.770 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000791064053 1077287326 /nfs/dbraw/zinc/28/73/26/1077287326.db2.gz ZQTLZIBNBOGCTF-QGZVFWFLSA-N 0 3 422.570 2.769 20 0 HFADHN CN1CCN(CCCNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791124069 1077294264 /nfs/dbraw/zinc/29/42/64/1077294264.db2.gz MZNYOQTXOMDMSR-UHFFFAOYSA-N 0 3 404.555 2.720 20 0 HFADHN C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)N(C)Cc1ccccc1 ZINC000788787818 1077303855 /nfs/dbraw/zinc/30/38/55/1077303855.db2.gz SURQQXDDCFGHNP-DENIHFKCSA-N 0 3 408.546 2.949 20 0 HFADHN CCOC(=O)N1CC[C@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000788963401 1077364408 /nfs/dbraw/zinc/36/44/08/1077364408.db2.gz BVADXQWBNVZFGV-INIZCTEOSA-N 0 3 412.328 2.606 20 0 HFADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788998088 1077377214 /nfs/dbraw/zinc/37/72/14/1077377214.db2.gz VDGHHMOEKLOSLZ-QGZVFWFLSA-N 0 3 410.946 2.646 20 0 HFADHN CCO[C@@H]1C[C@](O)(CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1(C)C ZINC000789002736 1077377985 /nfs/dbraw/zinc/37/79/85/1077377985.db2.gz HKLYAKRBGOTVID-KNQAVFIVSA-N 0 3 404.555 2.516 20 0 HFADHN Cc1cc(C)c(N2CC[C@H](OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)C2=O)c(C)c1 ZINC000789019532 1077386553 /nfs/dbraw/zinc/38/65/53/1077386553.db2.gz WDOXQRBGZRDNFO-ILXRZTDVSA-N 0 3 412.408 2.717 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000746785788 1077398675 /nfs/dbraw/zinc/39/86/75/1077398675.db2.gz AVNRMYOTUQBSHK-OAHLLOKOSA-N 0 3 411.506 2.852 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](C)N(C)Cc3ccccc3)C2)c1 ZINC000791590031 1077494200 /nfs/dbraw/zinc/49/42/00/1077494200.db2.gz SZQGUQAJZBMIDZ-OPAMFIHVSA-N 0 3 411.502 2.834 20 0 HFADHN CCOC(=O)Nc1ccc2c(CN(C)[C@@H](C)CN3CCOCC3)cc(=O)oc2c1 ZINC000789333572 1077525804 /nfs/dbraw/zinc/52/58/04/1077525804.db2.gz BNUIEQHSJUHVRW-HNNXBMFYSA-N 0 3 403.479 2.514 20 0 HFADHN C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H](c1ccccc1)N(C)C ZINC000791717452 1077537694 /nfs/dbraw/zinc/53/76/94/1077537694.db2.gz YUTBZNYNGNGPLH-NUEKZKHPSA-N 0 3 401.429 2.957 20 0 HFADHN O=C(OC[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000791778729 1077549998 /nfs/dbraw/zinc/54/99/98/1077549998.db2.gz LXZKUOMBPTVQAB-WCQYABFASA-N 0 3 420.314 2.714 20 0 HFADHN CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4ccnc4)cc3)cccc21 ZINC000789402804 1077560603 /nfs/dbraw/zinc/56/06/03/1077560603.db2.gz JFJIVIMYMZHAGV-HXUWFJFHSA-N 0 3 419.485 2.512 20 0 HFADHN COC(=O)C1=C(CN2CCC[C@]2(CO)CC(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000789504088 1077598249 /nfs/dbraw/zinc/59/82/49/1077598249.db2.gz LTZBCUAOBIAHNG-NFBKMPQASA-N 0 3 415.534 2.683 20 0 HFADHN C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922690 1077612520 /nfs/dbraw/zinc/61/25/20/1077612520.db2.gz USMUKQFXFQWBCG-ACJLOTCBSA-N 0 3 408.428 2.640 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000791974682 1077616012 /nfs/dbraw/zinc/61/60/12/1077616012.db2.gz DYWLPBALGJBDDH-FPOVZHCZSA-N 0 3 418.497 2.601 20 0 HFADHN COc1cccc(C2=NO[C@H](C(=O)N(C)C3CCN(CCc4ccccn4)CC3)C2)c1 ZINC000792119198 1077713089 /nfs/dbraw/zinc/71/30/89/1077713089.db2.gz LVSJNSSGJSYSDH-QHCPKHFHSA-N 0 3 422.529 2.749 20 0 HFADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000789729956 1077741840 /nfs/dbraw/zinc/74/18/40/1077741840.db2.gz YELMSACLYAUPQN-OAHLLOKOSA-N 0 3 417.510 2.523 20 0 HFADHN COC1CCN(CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792215906 1077768991 /nfs/dbraw/zinc/76/89/91/1077768991.db2.gz OGJUBYISDKHJST-LJQANCHMSA-N 0 3 423.529 2.661 20 0 HFADHN O=C(NC[C@@H](O)c1ccc(F)cc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792280533 1077773527 /nfs/dbraw/zinc/77/35/27/1077773527.db2.gz WACUVJWYYHZALR-OFLPRAFFSA-N 0 3 403.420 2.964 20 0 HFADHN CC[C@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1C ZINC000792282879 1077774192 /nfs/dbraw/zinc/77/41/92/1077774192.db2.gz XXVUTCZOYJJPHI-INIZCTEOSA-N 0 3 412.538 2.882 20 0 HFADHN C[C@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCCC2=O)cc1 ZINC000792276273 1077791592 /nfs/dbraw/zinc/79/15/92/1077791592.db2.gz HWHMZAPXBWFBBQ-SFHVURJKSA-N 0 3 415.559 2.926 20 0 HFADHN CC1(C)CN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1C(F)(F)F ZINC000792354852 1077812581 /nfs/dbraw/zinc/81/25/81/1077812581.db2.gz NHMDNOLRHJFMJO-CYBMUJFWSA-N 0 3 418.460 2.573 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(C4CC4)cc3)cc2)CC1 ZINC000792362062 1077814887 /nfs/dbraw/zinc/81/48/87/1077814887.db2.gz JDOHYKUSKMNWPD-UHFFFAOYSA-N 0 3 406.530 2.961 20 0 HFADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cc2n[nH]nc2cc1F ZINC000789819331 1077826149 /nfs/dbraw/zinc/82/61/49/1077826149.db2.gz RQZZNEPUYURSOP-OAHLLOKOSA-N 0 3 405.437 2.993 20 0 HFADHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccn(CC(F)F)n3)CC2)c1 ZINC000789894774 1077853456 /nfs/dbraw/zinc/85/34/56/1077853456.db2.gz KHIOGSGOGCPMJA-UHFFFAOYSA-N 0 3 405.493 2.789 20 0 HFADHN CCOC(=O)N1CCC(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000792556977 1077902418 /nfs/dbraw/zinc/90/24/18/1077902418.db2.gz ZKLOYECDPPQULY-UHFFFAOYSA-N 0 3 405.461 2.776 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc(F)cc(Br)c1 ZINC000790034114 1077905469 /nfs/dbraw/zinc/90/54/69/1077905469.db2.gz FRXBOMVKBHELEE-UHFFFAOYSA-N 0 3 420.304 2.731 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(Br)c(C)c1 ZINC000790034055 1077905497 /nfs/dbraw/zinc/90/54/97/1077905497.db2.gz CKEIDOFTASPDAM-UHFFFAOYSA-N 0 3 416.341 2.900 20 0 HFADHN CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccc3c(n2)OCCNC3)OC(C)(C)O1 ZINC001170208019 1077907054 /nfs/dbraw/zinc/90/70/54/1077907054.db2.gz OWSBBGITOZKVRL-CVEARBPZSA-N 0 3 407.511 2.618 20 0 HFADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2ccccc2[C@@H]1C ZINC001157702770 1077908376 /nfs/dbraw/zinc/90/83/76/1077908376.db2.gz CWVDWQYLNXPAQK-RTFZILSDSA-N 0 3 423.557 2.939 20 0 HFADHN CN(CCOCCN1C(=O)c2ccccc2C1=O)CCc1nc(-c2ccccc2)no1 ZINC001170215570 1077909042 /nfs/dbraw/zinc/90/90/42/1077909042.db2.gz BYTHEQLFGBWDSV-UHFFFAOYSA-N 0 3 420.469 2.524 20 0 HFADHN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218868 1077910335 /nfs/dbraw/zinc/91/03/35/1077910335.db2.gz WCALJEIJCUNBEE-ZWKOTPCHSA-N 0 3 416.591 2.830 20 0 HFADHN CCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000790014392 1077913419 /nfs/dbraw/zinc/91/34/19/1077913419.db2.gz GFVFNQCPVVNWPS-IBGZPJMESA-N 0 3 409.596 2.845 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(O[C@H]3CCCCNC3=O)cc2)cc1 ZINC000790019154 1077915608 /nfs/dbraw/zinc/91/56/08/1077915608.db2.gz RIAUFVZCNNRNBV-FQEVSTJZSA-N 0 3 418.515 2.563 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000790025339 1077918005 /nfs/dbraw/zinc/91/80/05/1077918005.db2.gz AKNGJHFVYBWZNC-KRWDZBQOSA-N 0 3 418.437 2.659 20 0 HFADHN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)Cc1ccccc1 ZINC000790114251 1077942244 /nfs/dbraw/zinc/94/22/44/1077942244.db2.gz NXHHMTFOAZOESP-SFHVURJKSA-N 0 3 400.498 2.946 20 0 HFADHN CC(C)O[C@H]1C[C@@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401234 1077965282 /nfs/dbraw/zinc/96/52/82/1077965282.db2.gz ZIXSYVZXBXADJZ-CABCVRRESA-N 0 3 404.479 2.803 20 0 HFADHN CN1CCN(CCCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000792849816 1078014365 /nfs/dbraw/zinc/01/43/65/1078014365.db2.gz OHZXPSGPFDSMBT-UHFFFAOYSA-N 0 3 416.566 2.742 20 0 HFADHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790364621 1078014790 /nfs/dbraw/zinc/01/47/90/1078014790.db2.gz AQYMGBDZKNCSIS-WMZHIEFXSA-N 0 3 409.534 2.683 20 0 HFADHN CC1(C)CN=C(N2CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)S1 ZINC000792872811 1078015323 /nfs/dbraw/zinc/01/53/23/1078015323.db2.gz PQZWKLWTKMKFBU-HXUWFJFHSA-N 0 3 402.608 2.777 20 0 HFADHN COc1ccc(OC)c(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000747090186 1078017777 /nfs/dbraw/zinc/01/77/77/1078017777.db2.gz HTBRFSFFSYPPSR-INIZCTEOSA-N 0 3 421.538 2.557 20 0 HFADHN C[C@H]1OCC[C@]12CN(Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407397 1078019859 /nfs/dbraw/zinc/01/98/59/1078019859.db2.gz RPMLETFEOMUGCB-LPMFXHHGSA-N 0 3 407.308 2.990 20 0 HFADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCC4(CCOCC4)CC3)CC2)c(F)c1 ZINC000792934702 1078028651 /nfs/dbraw/zinc/02/86/51/1078028651.db2.gz XVBLIDBQTUOFHN-UHFFFAOYSA-N 0 3 417.525 2.570 20 0 HFADHN O=C(Nc1cccc(Cl)n1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000792974302 1078030463 /nfs/dbraw/zinc/03/04/63/1078030463.db2.gz YRVZKWLPUPUBHR-UHFFFAOYSA-N 0 3 400.910 2.841 20 0 HFADHN COC(=O)c1c2cnn(CN3CC[C@@H](c4nccn4C)C3)c2ccc1Br ZINC000790443630 1078033360 /nfs/dbraw/zinc/03/33/60/1078033360.db2.gz YOCHMBZJEKOFPJ-GFCCVEGCSA-N 0 3 418.295 2.766 20 0 HFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792968519 1078038274 /nfs/dbraw/zinc/03/82/74/1078038274.db2.gz MMTSBHNPKWITAW-UHFFFAOYSA-N 0 3 423.286 2.512 20 0 HFADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000806254227 1079522144 /nfs/dbraw/zinc/52/21/44/1079522144.db2.gz RENBSQAUMFBGRT-NHCUHLMSSA-N 0 3 421.557 2.724 20 0 HFADHN CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504635 1079533348 /nfs/dbraw/zinc/53/33/48/1079533348.db2.gz GQFHVQIBHCUTQM-BRWVUGGUSA-N 0 3 414.543 2.696 20 0 HFADHN CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504637 1079533455 /nfs/dbraw/zinc/53/34/55/1079533455.db2.gz GQFHVQIBHCUTQM-IXDOHACOSA-N 0 3 414.543 2.696 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000806308543 1079562594 /nfs/dbraw/zinc/56/25/94/1079562594.db2.gz UVCRRFMRYALCCS-WOJBJXKFSA-N 0 3 404.555 2.858 20 0 HFADHN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747325463 1079597422 /nfs/dbraw/zinc/59/74/22/1079597422.db2.gz KMMDDIYCEOKLBP-AEFFLSMTSA-N 0 3 421.950 2.897 20 0 HFADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328496 1079601387 /nfs/dbraw/zinc/60/13/87/1079601387.db2.gz GMDMOOXAXMIQTM-WOJBJXKFSA-N 0 3 421.969 2.603 20 0 HFADHN C[C@@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CCN(Cc2ccccc2)C1 ZINC001130609924 1079629360 /nfs/dbraw/zinc/62/93/60/1079629360.db2.gz NMMXSOBWVOTTMY-ZJSXRUAMSA-N 0 3 406.530 2.715 20 0 HFADHN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000806401102 1079688624 /nfs/dbraw/zinc/68/86/24/1079688624.db2.gz QROSBHORIGHJMV-FQEVSTJZSA-N 0 3 402.539 2.697 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2nc(Cc3ccccc3)no2)cc1 ZINC000806547042 1079785636 /nfs/dbraw/zinc/78/56/36/1079785636.db2.gz COUFKTITGVBAOX-IBGZPJMESA-N 0 3 409.490 2.771 20 0 HFADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC000806522914 1079799964 /nfs/dbraw/zinc/79/99/64/1079799964.db2.gz QIJPCLXLXSELMG-AWEZNQCLSA-N 0 3 410.440 2.801 20 0 HFADHN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747343735 1079909462 /nfs/dbraw/zinc/90/94/62/1079909462.db2.gz RVWIVOJZTNNQSW-IRXDYDNUSA-N 0 3 404.898 2.692 20 0 HFADHN COCCN(C)CCNC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000806692496 1079916705 /nfs/dbraw/zinc/91/67/05/1079916705.db2.gz FNBDBAPHOVUGET-UHFFFAOYSA-N 0 3 420.554 2.752 20 0 HFADHN COCCN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806778808 1080004450 /nfs/dbraw/zinc/00/44/50/1080004450.db2.gz AAVXJJHXGZHGBI-WOJBJXKFSA-N 0 3 424.586 2.720 20 0 HFADHN COC(=O)N1CCC(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000806815149 1080027732 /nfs/dbraw/zinc/02/77/32/1080027732.db2.gz BACKSCGRJIEDBN-FQEVSTJZSA-N 0 3 402.539 2.991 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000806953103 1080163496 /nfs/dbraw/zinc/16/34/96/1080163496.db2.gz HGWTUJVVJJYSCR-HOJAQTOUSA-N 0 3 402.539 2.960 20 0 HFADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001130807719 1080176765 /nfs/dbraw/zinc/17/67/65/1080176765.db2.gz ZYDAODGKNSPTGH-UHFFFAOYSA-N 0 3 404.898 2.619 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092165 1080272455 /nfs/dbraw/zinc/27/24/55/1080272455.db2.gz SVKZDPGOXXLNPU-WOJBJXKFSA-N 0 3 401.551 2.507 20 0 HFADHN Cc1cc(Cl)nc(CNC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)c1 ZINC000807558870 1080813009 /nfs/dbraw/zinc/81/30/09/1080813009.db2.gz HWGRTZWYRQLCAR-UHFFFAOYSA-N 0 3 406.958 2.822 20 0 HFADHN C[C@@](CO)(Cc1ccccc1F)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC001198218367 1126154591 /nfs/dbraw/zinc/15/45/91/1126154591.db2.gz GDHCAZZYFUBZJV-IBGZPJMESA-N 0 3 420.282 2.679 20 0 HFADHN O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)C12CNC2 ZINC001164414796 718879238 /nfs/dbraw/zinc/87/92/38/718879238.db2.gz XFHVFPPLPVVUDY-UHFFFAOYSA-N 0 3 413.255 2.879 20 0 HFADHN CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3NCc4ccccc4[C@@H]3C2)cnc1Cl ZINC001164429894 718948373 /nfs/dbraw/zinc/94/83/73/718948373.db2.gz QMGXCVCCBZQUES-GJZGRUSLSA-N 0 3 413.877 2.759 20 0 HFADHN C[C@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)[C@@H](C)CN1C ZINC001164634517 719237576 /nfs/dbraw/zinc/23/75/76/719237576.db2.gz MTIRJYKSJAWCHJ-GJZGRUSLSA-N 0 3 401.580 2.541 20 0 HFADHN C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)[C@H](C)CN1C ZINC001164634522 719237618 /nfs/dbraw/zinc/23/76/18/719237618.db2.gz MTIRJYKSJAWCHJ-HUUCEWRRSA-N 0 3 401.580 2.541 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164687502 719721011 /nfs/dbraw/zinc/72/10/11/719721011.db2.gz YKQZGMIQTZEOCH-UHFFFAOYSA-N 0 3 407.518 2.515 20 0 HFADHN CNC(=O)CN1CCCC12CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164689866 719748200 /nfs/dbraw/zinc/74/82/00/719748200.db2.gz MRHVHVWDEYUAMM-UHFFFAOYSA-N 0 3 411.575 2.950 20 0 HFADHN c1cc2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729882 720348938 /nfs/dbraw/zinc/34/89/38/720348938.db2.gz YTUBGJSIXNZSMY-MOPGFXCFSA-N 0 3 422.558 2.776 20 0 HFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164730251 720427670 /nfs/dbraw/zinc/42/76/70/720427670.db2.gz IXZSLOMQHJWTHF-CABCVRRESA-N 0 3 412.881 2.646 20 0 HFADHN O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3CN3CCCC3)CC[C@@H]21)N1CCCCC1 ZINC001164840775 720503107 /nfs/dbraw/zinc/50/31/07/720503107.db2.gz XLPRXPCCWUMVDE-FSSWDIPSSA-N 0 3 412.578 2.921 20 0 HFADHN Cc1cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164740078 720665766 /nfs/dbraw/zinc/66/57/66/720665766.db2.gz PPCKHFBNVAJARI-CHWSQXEVSA-N 0 3 402.911 2.785 20 0 HFADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737171 720728034 /nfs/dbraw/zinc/72/80/34/720728034.db2.gz AJBREFAWMFIZCD-QZTJIDSGSA-N 0 3 419.485 2.543 20 0 HFADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746965 720751458 /nfs/dbraw/zinc/75/14/58/720751458.db2.gz ZKGSCFLIRWKEEU-IAGOWNOFSA-N 0 3 412.494 2.561 20 0 HFADHN Clc1cccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164738692 720765744 /nfs/dbraw/zinc/76/57/44/720765744.db2.gz GWDHRONNXBAGIL-QZTJIDSGSA-N 0 3 408.893 2.929 20 0 HFADHN Fc1ccc2c(Cl)nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748299 720790724 /nfs/dbraw/zinc/79/07/24/720790724.db2.gz QNPKPPMBMQQWAK-KBPBESRZSA-N 0 3 400.845 2.554 20 0 HFADHN Cc1cc(-c2ccccc2F)nnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752657 720801504 /nfs/dbraw/zinc/80/15/04/720801504.db2.gz ZNURLOZYLNDMLB-IAGOWNOFSA-N 0 3 406.465 2.723 20 0 HFADHN CSc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164865687 721081909 /nfs/dbraw/zinc/08/19/09/721081909.db2.gz OHJXBGZDEBHIJD-QZTJIDSGSA-N 0 3 411.575 2.952 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@H]3C2)cn1 ZINC001164763698 721086863 /nfs/dbraw/zinc/08/68/63/721086863.db2.gz GRIWMYBOSWYPJO-HUUCEWRRSA-N 0 3 404.971 2.611 20 0 HFADHN Clc1nc2ncsc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164863320 721091950 /nfs/dbraw/zinc/09/19/50/721091950.db2.gz BSJSVANCWANCPH-ZIAGYGMSSA-N 0 3 402.911 2.614 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865480 721103200 /nfs/dbraw/zinc/10/32/00/721103200.db2.gz LOXNGRDYKWSTSG-VQTJNVASSA-N 0 3 410.518 2.750 20 0 HFADHN COC(=O)c1ccc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164871106 721134715 /nfs/dbraw/zinc/13/47/15/721134715.db2.gz DRHYUMSDOHWOBO-FGZHOGPDSA-N 0 3 418.497 2.896 20 0 HFADHN Cc1nc2c(nc(Cl)nc2N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)s1 ZINC001164762675 721145933 /nfs/dbraw/zinc/14/59/33/721145933.db2.gz DDXRAIGMXNHKLW-ZIAGYGMSSA-N 0 3 403.943 2.740 20 0 HFADHN CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762076 721148756 /nfs/dbraw/zinc/14/87/56/721148756.db2.gz BUIVBDYFNYJIQY-IRXDYDNUSA-N 0 3 417.941 2.912 20 0 HFADHN Cc1nc(-c2ccncc2)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876524 721161105 /nfs/dbraw/zinc/16/11/05/721161105.db2.gz MZWOOWGUOXZKBK-SFTDATJTSA-N 0 3 402.502 2.722 20 0 HFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@@H]3C2)cn1 ZINC001164769739 721245452 /nfs/dbraw/zinc/24/54/52/721245452.db2.gz ZMABCSGZNPCXIK-CABCVRRESA-N 0 3 412.588 2.622 20 0 HFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885688 721381769 /nfs/dbraw/zinc/38/17/69/721381769.db2.gz CZCXHNIVHHZKEX-VBKZILBWSA-N 0 3 422.936 2.516 20 0 HFADHN COC(=O)c1ccc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900737 721517262 /nfs/dbraw/zinc/51/72/62/721517262.db2.gz UNAWGNXOIBQQFE-ICSRJNTNSA-N 0 3 422.460 2.897 20 0 HFADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2C1 ZINC001164903553 721564243 /nfs/dbraw/zinc/56/42/43/721564243.db2.gz CHATWEZKYGTUPO-NVXWUHKLSA-N 0 3 417.916 2.599 20 0 HFADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2C1 ZINC001164903551 721564620 /nfs/dbraw/zinc/56/46/20/721564620.db2.gz CHATWEZKYGTUPO-DOTOQJQBSA-N 0 3 417.916 2.599 20 0 HFADHN C[C@@H]1CN(c2cc(CN(C)C)ccn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008897 721691683 /nfs/dbraw/zinc/69/16/83/721691683.db2.gz LRGXVWWPZVLEPJ-DHJUGAMNSA-N 0 3 409.534 2.941 20 0 HFADHN COC(=O)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1N ZINC001164907414 721696575 /nfs/dbraw/zinc/69/65/75/721696575.db2.gz SJZVRWBTVBXDEE-FQEVSTJZSA-N 0 3 417.460 2.583 20 0 HFADHN CCNC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164908581 721723741 /nfs/dbraw/zinc/72/37/41/721723741.db2.gz YFVSWCOZXDBOOS-OAQYLSRUSA-N 0 3 415.488 2.964 20 0 HFADHN CCn1cnc2c1ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913139 721725727 /nfs/dbraw/zinc/72/57/27/721725727.db2.gz UISPVSRJOIDFHX-HXUWFJFHSA-N 0 3 413.476 2.979 20 0 HFADHN c1cc(CN2CCOCC3(CCN(c4ccc(N5CCCCC5)nn4)CC3)C2)ccn1 ZINC001164958810 722051698 /nfs/dbraw/zinc/05/16/98/722051698.db2.gz GSICEVZAPBQAOY-UHFFFAOYSA-N 0 3 422.577 2.981 20 0 HFADHN CN(Cc1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001164976615 722090874 /nfs/dbraw/zinc/09/08/74/722090874.db2.gz SCQUPYYWUHDCEZ-YLJYHZDGSA-N 0 3 412.559 2.675 20 0 HFADHN Clc1ccc2c(ncnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980648 722104610 /nfs/dbraw/zinc/10/46/10/722104610.db2.gz JUEMXTKBHONUSF-AEFFLSMTSA-N 0 3 410.909 2.801 20 0 HFADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)SCC2 ZINC001164976622 722110599 /nfs/dbraw/zinc/11/05/99/722110599.db2.gz LYHOFNCVLJYYQA-WBVHZDCISA-N 0 3 417.966 2.901 20 0 HFADHN F[C@H](Oc1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972480 722118199 /nfs/dbraw/zinc/11/81/99/722118199.db2.gz FRHWDUZJBQCDHZ-HQRMLTQVSA-N 0 3 406.889 2.985 20 0 HFADHN COc1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975628 722118260 /nfs/dbraw/zinc/11/82/60/722118260.db2.gz KBOINCRWEJDADR-XMSQKQJNSA-N 0 3 405.502 2.761 20 0 HFADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164980252 722138625 /nfs/dbraw/zinc/13/86/25/722138625.db2.gz MEKIFAMVGVJNQE-IFMALSPDSA-N 0 3 416.529 2.969 20 0 HFADHN CC1CCN(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164972802 722142640 /nfs/dbraw/zinc/14/26/40/722142640.db2.gz APSQIFURBVNKHI-FCHUYYIVSA-N 0 3 422.577 2.835 20 0 HFADHN C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)CN1Cc1ccccc1 ZINC000793093637 1078067588 /nfs/dbraw/zinc/06/75/88/1078067588.db2.gz SZBDGQYGJSDHPJ-VQIMIIECSA-N 0 3 402.926 2.902 20 0 HFADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)N(C)C ZINC000793059226 1078069316 /nfs/dbraw/zinc/06/93/16/1078069316.db2.gz WPUXJUFWRQQGKH-DYVFJYSZSA-N 0 3 419.323 2.899 20 0 HFADHN CNC(=O)c1ccc(CNCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1 ZINC000790609249 1078074688 /nfs/dbraw/zinc/07/46/88/1078074688.db2.gz NSANZCWUNAECIR-HSZRJFAPSA-N 0 3 406.486 2.561 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153504 1078091807 /nfs/dbraw/zinc/09/18/07/1078091807.db2.gz KDFWXEPFFODHNU-VQIMIIECSA-N 0 3 402.926 2.759 20 0 HFADHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)C(F)(F)C1CCOCC1 ZINC000790659911 1078095693 /nfs/dbraw/zinc/09/56/93/1078095693.db2.gz ZEZWWFADRIKCNU-UHFFFAOYSA-N 0 3 400.441 2.847 20 0 HFADHN CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267780 1078113939 /nfs/dbraw/zinc/11/39/39/1078113939.db2.gz WFAQQOHABGZHPW-XBFCOCLRSA-N 0 3 419.266 2.932 20 0 HFADHN CCOC(=O)C(F)(F)[C@@H]1CC[C@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267776 1078114000 /nfs/dbraw/zinc/11/40/00/1078114000.db2.gz WFAQQOHABGZHPW-KWCYVHTRSA-N 0 3 419.266 2.932 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768562 1078114647 /nfs/dbraw/zinc/11/46/47/1078114647.db2.gz VJVQFLURCSUTEN-LDYMZIIASA-N 0 3 403.118 2.819 20 0 HFADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790801002 1078139093 /nfs/dbraw/zinc/13/90/93/1078139093.db2.gz SIXMPUYMLVCROI-FPOVZHCZSA-N 0 3 416.485 2.857 20 0 HFADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657862 1078259939 /nfs/dbraw/zinc/25/99/39/1078259939.db2.gz NFODGJHRHHWAGC-YJBOKZPZSA-N 0 3 403.523 2.988 20 0 HFADHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000793713950 1078261766 /nfs/dbraw/zinc/26/17/66/1078261766.db2.gz QCMZEUPNMMVPRP-IRLDBZIGSA-N 0 3 415.578 2.536 20 0 HFADHN COc1ccc2oc([C@H](C)NC(=O)C(=O)NC[C@@H](C)N3CCCCC3)c(C)c2c1 ZINC000793720988 1078265536 /nfs/dbraw/zinc/26/55/36/1078265536.db2.gz RTZSUVCTZZXOIP-ZBFHGGJFSA-N 0 3 401.507 2.918 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000793724253 1078266709 /nfs/dbraw/zinc/26/67/09/1078266709.db2.gz YGMPWERJZSDHQA-AWEZNQCLSA-N 0 3 416.349 2.617 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1)N1CCCCC1 ZINC000793707090 1078276979 /nfs/dbraw/zinc/27/69/79/1078276979.db2.gz ICBPCDPIWUKHIV-HNNXBMFYSA-N 0 3 422.367 2.588 20 0 HFADHN COCCCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)C1CCN(C)CC1 ZINC000794052409 1078366371 /nfs/dbraw/zinc/36/63/71/1078366371.db2.gz VQBYVALMEZCKCN-QGZVFWFLSA-N 0 3 423.501 2.551 20 0 HFADHN COc1ccc([C@@H]2C[C@H]2NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)cc1 ZINC000794152533 1078385220 /nfs/dbraw/zinc/38/52/20/1078385220.db2.gz SRXGDWSDAPTDFH-LEWJYISDSA-N 0 3 417.513 2.858 20 0 HFADHN COc1cnccc1N1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000794338056 1078418870 /nfs/dbraw/zinc/41/88/70/1078418870.db2.gz FBPPCPOWNXAOJA-UHFFFAOYSA-N 0 3 416.478 2.670 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000794404615 1078436584 /nfs/dbraw/zinc/43/65/84/1078436584.db2.gz NWAGASOOMVBZFL-GOSISDBHSA-N 0 3 424.517 2.687 20 0 HFADHN CCN1CCN(C(=O)CCCCCCCC(=O)N2CCN(CC)C[C@H]2C)[C@H](C)C1 ZINC000804380463 1078440570 /nfs/dbraw/zinc/44/05/70/1078440570.db2.gz VVAFATHTHAVCSN-NHCUHLMSSA-N 0 3 408.631 2.822 20 0 HFADHN CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000804376499 1078453692 /nfs/dbraw/zinc/45/36/92/1078453692.db2.gz DIWGKXXKYVMNFS-CQSZACIVSA-N 0 3 407.563 2.677 20 0 HFADHN CC(C)CN(C(=O)c1csc(I)n1)C1CCN(C)CC1 ZINC001129459372 1078486252 /nfs/dbraw/zinc/48/62/52/1078486252.db2.gz JNQGGHPOIPIULE-UHFFFAOYSA-N 0 3 407.321 2.940 20 0 HFADHN Cn1cc(/C=C/C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129497664 1078487684 /nfs/dbraw/zinc/48/76/84/1078487684.db2.gz RMTSZVOBRKCEKS-AATRIKPKSA-N 0 3 413.953 2.900 20 0 HFADHN Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)CC2)c1 ZINC000804659864 1078497935 /nfs/dbraw/zinc/49/79/35/1078497935.db2.gz MRHWADHJLOGVFB-OAQYLSRUSA-N 0 3 416.566 2.586 20 0 HFADHN CCCN(CCN1CCCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000804441238 1078505239 /nfs/dbraw/zinc/50/52/39/1078505239.db2.gz GJRORXHPXYKTOG-UHFFFAOYSA-N 0 3 413.971 2.828 20 0 HFADHN COC(=O)c1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804498547 1078553955 /nfs/dbraw/zinc/55/39/55/1078553955.db2.gz QHORNPOHFQCRRU-LJQANCHMSA-N 0 3 409.408 2.936 20 0 HFADHN O=C(NCCS(=O)(=O)C1CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccs1 ZINC001129868597 1078565316 /nfs/dbraw/zinc/56/53/16/1078565316.db2.gz XUIQMDBUUQYCFA-RTBURBONSA-N 0 3 418.584 2.657 20 0 HFADHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H]3CCCN3C)cc2)C1 ZINC001129906028 1078578094 /nfs/dbraw/zinc/57/80/94/1078578094.db2.gz VFBMMLPCCQCJTC-SCTDSRPQSA-N 0 3 407.580 2.519 20 0 HFADHN Cc1ncc(CC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)o1 ZINC001129610766 1078581114 /nfs/dbraw/zinc/58/11/14/1078581114.db2.gz AWGHGCLTJOKQMQ-UHFFFAOYSA-N 0 3 402.926 2.992 20 0 HFADHN CCCN(CCN1CCCCC1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000804567002 1078602292 /nfs/dbraw/zinc/60/22/92/1078602292.db2.gz JCZMLQHMLHJXOF-UHFFFAOYSA-N 0 3 401.960 2.586 20 0 HFADHN COCCOCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129678331 1078666132 /nfs/dbraw/zinc/66/61/32/1078666132.db2.gz SPBMDEDGGPEIDO-FCHUYYIVSA-N 0 3 400.494 2.963 20 0 HFADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)c2ccc(-c3ccccc3)cc2)n1 ZINC000804618839 1078668534 /nfs/dbraw/zinc/66/85/34/1078668534.db2.gz WHZOBRVMTDKGDR-LJQANCHMSA-N 0 3 408.506 2.909 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000804904051 1078759754 /nfs/dbraw/zinc/75/97/54/1078759754.db2.gz UHPZRSSKBQHDTL-LPHOPBHVSA-N 0 3 413.440 2.961 20 0 HFADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000804935176 1078760573 /nfs/dbraw/zinc/76/05/73/1078760573.db2.gz MRBKDHMEQIOCGF-OAQYLSRUSA-N 0 3 416.566 2.714 20 0 HFADHN CCc1ccc([C@@H](O)CNC(=O)NCc2ccccc2CN2CCN(CC)CC2)cc1 ZINC000804949012 1078777763 /nfs/dbraw/zinc/77/77/63/1078777763.db2.gz GJOTVFGTMYKSKK-DEOSSOPVSA-N 0 3 424.589 2.919 20 0 HFADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000804926678 1078782693 /nfs/dbraw/zinc/78/26/93/1078782693.db2.gz NKSMDZFWIYYMFT-PMACEKPBSA-N 0 3 402.539 2.809 20 0 HFADHN CCN1CCN(c2ccc(C(=O)N3CCCC[C@H]3COC(=O)NC(C)C)cc2)CC1 ZINC000804929857 1078785561 /nfs/dbraw/zinc/78/55/61/1078785561.db2.gz RPGZWNWBPYQPTM-NRFANRHFSA-N 0 3 416.566 2.958 20 0 HFADHN COCCOCCOCCOCCNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001170472928 1078805533 /nfs/dbraw/zinc/80/55/33/1078805533.db2.gz BQOJYNKTKRRTNR-UHFFFAOYSA-N 0 3 402.413 2.784 20 0 HFADHN CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001130055258 1078841183 /nfs/dbraw/zinc/84/11/83/1078841183.db2.gz FDFRRQXZODXNMY-HXUWFJFHSA-N 0 3 419.529 2.693 20 0 HFADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000805070265 1078879553 /nfs/dbraw/zinc/87/95/53/1078879553.db2.gz IPPVKOQWLWFCCE-MAUKXSAKSA-N 0 3 401.429 2.735 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)N(CCN2CCCCCC2)C(C)C)ccc1F ZINC000805106417 1078890985 /nfs/dbraw/zinc/89/09/85/1078890985.db2.gz DGMSRTUPAVPZGE-UHFFFAOYSA-N 0 3 400.516 2.887 20 0 HFADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137838 1078934304 /nfs/dbraw/zinc/93/43/04/1078934304.db2.gz JYFBDOSMBSWOSY-AVRDEDQJSA-N 0 3 424.586 2.530 20 0 HFADHN COC[C@@H](C)n1c(SCC(=O)N(C)C[C@@H]2CCCN2C)nnc1-c1ccccc1 ZINC001130097846 1078948021 /nfs/dbraw/zinc/94/80/21/1078948021.db2.gz GWUNIOXBKJSMFE-AEFFLSMTSA-N 0 3 417.579 2.797 20 0 HFADHN COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)s2)cc1OC ZINC000747231813 1078951446 /nfs/dbraw/zinc/95/14/46/1078951446.db2.gz OUTBUWOEYYZAJI-CVEARBPZSA-N 0 3 417.531 2.729 20 0 HFADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199270 1078952663 /nfs/dbraw/zinc/95/26/63/1078952663.db2.gz QEWXWWUQJYRPRX-NRJQMVOHSA-N 0 3 406.571 2.902 20 0 HFADHN COc1cc(Cl)ccc1CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000805170956 1078957226 /nfs/dbraw/zinc/95/72/26/1078957226.db2.gz KXUPFJKUNGBZOM-UHFFFAOYSA-N 0 3 417.937 2.598 20 0 HFADHN CN1CCC[C@H](NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184225 1078966085 /nfs/dbraw/zinc/96/60/85/1078966085.db2.gz LDPSLZRXUFWETQ-HKUYNNGSSA-N 0 3 402.539 2.914 20 0 HFADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)no1 ZINC000805197542 1078970979 /nfs/dbraw/zinc/97/09/79/1078970979.db2.gz FWCLAWUPEQQOJK-NZQKXSOJSA-N 0 3 410.518 2.817 20 0 HFADHN Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)no1 ZINC000805197543 1078971050 /nfs/dbraw/zinc/97/10/50/1078971050.db2.gz FWCLAWUPEQQOJK-OFNKIYASSA-N 0 3 410.518 2.817 20 0 HFADHN COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)s1 ZINC001130117786 1078988206 /nfs/dbraw/zinc/98/82/06/1078988206.db2.gz ZKLCLGKDAJFFCC-OAHLLOKOSA-N 0 3 416.547 2.951 20 0 HFADHN CCOc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1OCc1cccnc1 ZINC000747236400 1078994153 /nfs/dbraw/zinc/99/41/53/1078994153.db2.gz MJDLIPPKUGEKLK-WOJBJXKFSA-N 0 3 411.502 2.652 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000805415828 1079076304 /nfs/dbraw/zinc/07/63/04/1079076304.db2.gz VAKCERBWQWKCCI-OAQYLSRUSA-N 0 3 416.566 2.959 20 0 HFADHN CCCN(C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000805752178 1079231149 /nfs/dbraw/zinc/23/11/49/1079231149.db2.gz ADYCXPWYSZTFMO-MSOLQXFVSA-N 0 3 408.930 2.959 20 0 HFADHN CCCN(C)[C@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805753904 1079232038 /nfs/dbraw/zinc/23/20/38/1079232038.db2.gz UKDGLGOBOSSRDD-BPQIPLTHSA-N 0 3 408.930 2.863 20 0 HFADHN CCCN(CC)CCNS(=O)(=O)c1cc(C(=O)OCC)ccc1Br ZINC000747284233 1079384684 /nfs/dbraw/zinc/38/46/84/1079384684.db2.gz AVPFHPLHHWWRDV-UHFFFAOYSA-N 0 3 421.357 2.636 20 0 HFADHN CC[C@@H]1C[C@@H](N2CCN(c3ncncn3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496317 1079395949 /nfs/dbraw/zinc/39/59/49/1079395949.db2.gz HIOBBCIVAZZFQZ-BCDXTJNWSA-N 0 3 404.559 2.950 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3CCC(=O)NC)cc2)CC1 ZINC000806155748 1079470510 /nfs/dbraw/zinc/47/05/10/1079470510.db2.gz UDSAJDLMMXCCNE-HXUWFJFHSA-N 0 3 401.555 2.741 20 0 HFADHN COc1cc([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1SC(F)F ZINC000806171322 1079462849 /nfs/dbraw/zinc/46/28/49/1079462849.db2.gz YOLBCCSSETWIEM-TZMCWYRMSA-N 0 3 423.551 2.931 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)NCCn3cc(Br)cn3)cc2)CC1 ZINC000806156229 1079470893 /nfs/dbraw/zinc/47/08/93/1079470893.db2.gz ZZZHETCTTTVZKI-UHFFFAOYSA-N 0 3 421.343 2.609 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CC(=O)N(C)[C@H]3c3ccccc3)cc2)CC1 ZINC000806153758 1079469780 /nfs/dbraw/zinc/46/97/80/1079469780.db2.gz VWZFMXVAYODHBI-JOCHJYFZSA-N 0 3 407.518 2.833 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)cc2)CC1 ZINC000806155039 1079469975 /nfs/dbraw/zinc/46/99/75/1079469975.db2.gz LUWVCCCJCXBXRZ-MAUKXSAKSA-N 0 3 414.472 2.853 20 0 HFADHN C[C@H](N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000806183571 1079477468 /nfs/dbraw/zinc/47/74/68/1079477468.db2.gz UQKKGLLMWAAVGN-WMZOPIPTSA-N 0 3 415.515 2.757 20 0 HFADHN CC(C)N1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787308655 1076755575 /nfs/dbraw/zinc/75/55/75/1076755575.db2.gz FPNVPVCUIDUCGJ-MRXNPFEDSA-N 0 3 405.543 2.690 20 0 HFADHN C[C@H](CNC(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1)N1CCCCC1 ZINC000787365516 1076775044 /nfs/dbraw/zinc/77/50/44/1076775044.db2.gz QVPPTLQBCPXINF-HXUWFJFHSA-N 0 3 407.558 2.947 20 0 HFADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1F ZINC000787337977 1076782701 /nfs/dbraw/zinc/78/27/01/1076782701.db2.gz WDSHHPPFOXVXBI-UHFFFAOYSA-N 0 3 421.538 2.547 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC[C@@H]3CCCCN3C3CC3)[nH]n2)C1 ZINC000787582083 1076871928 /nfs/dbraw/zinc/87/19/28/1076871928.db2.gz ROEMKBGTMCETRS-WBVHZDCISA-N 0 3 417.554 2.881 20 0 HFADHN C[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCCC1 ZINC000787611716 1076878309 /nfs/dbraw/zinc/87/83/09/1076878309.db2.gz VSUZPIZNGQTDTM-PXNSSMCTSA-N 0 3 420.985 2.584 20 0 HFADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668853 1076905128 /nfs/dbraw/zinc/90/51/28/1076905128.db2.gz HPOAZHXSCLPLJI-WBVHZDCISA-N 0 3 411.468 2.869 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000787882373 1076975575 /nfs/dbraw/zinc/97/55/75/1076975575.db2.gz NHWXUWBSQXKPGX-UHFFFAOYSA-N 0 3 410.852 2.851 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000787882866 1076976387 /nfs/dbraw/zinc/97/63/87/1076976387.db2.gz QNCLOFZZBDSBCL-UHFFFAOYSA-N 0 3 410.852 2.851 20 0 HFADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997064 1077023322 /nfs/dbraw/zinc/02/33/22/1077023322.db2.gz WNWZHGSRUWQPHW-SJLPKXTDSA-N 0 3 412.465 2.521 20 0 HFADHN CC1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000772710745 1077029000 /nfs/dbraw/zinc/02/90/00/1077029000.db2.gz JLHDSMKYRXGRHX-UHFFFAOYSA-N 0 3 423.513 2.858 20 0 HFADHN CC1(C(=O)OCC(=O)NC(=O)NC2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000772710781 1077029293 /nfs/dbraw/zinc/02/92/93/1077029293.db2.gz KDDUACGKYNJBLO-UHFFFAOYSA-N 0 3 415.534 2.990 20 0 HFADHN CC1(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)CCN(Cc2ccccc2)CC1 ZINC000772717767 1077093410 /nfs/dbraw/zinc/09/34/10/1077093410.db2.gz IDSJPZBYZVFRLY-HXUWFJFHSA-N 0 3 400.519 2.612 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N(C)C3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000788557518 1077200901 /nfs/dbraw/zinc/20/09/01/1077200901.db2.gz YYBPTYSRABFTOY-UHFFFAOYSA-N 0 3 423.565 2.751 20 0 HFADHN CCOC(=O)[C@@H]1[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558797 1077201127 /nfs/dbraw/zinc/20/11/27/1077201127.db2.gz VYGPFYJBIBPYPG-QYZOEREBSA-N 0 3 423.529 2.959 20 0 HFADHN COc1cc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cnc1Br ZINC000788531259 1077204095 /nfs/dbraw/zinc/20/40/95/1077204095.db2.gz WHLBQPPSUVIHJE-TZMCWYRMSA-N 0 3 400.342 2.505 20 0 HFADHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788609133 1077205903 /nfs/dbraw/zinc/20/59/03/1077205903.db2.gz BLOOQRHYCGQHKT-UHFFFAOYSA-N 0 3 408.973 2.897 20 0 HFADHN C[C@@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000772722215 1077211542 /nfs/dbraw/zinc/21/15/42/1077211542.db2.gz LENYJFLDZBXOHC-OAHLLOKOSA-N 0 3 422.489 2.525 20 0 HFADHN COc1ccc(CCS(=O)(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000788595765 1077217336 /nfs/dbraw/zinc/21/73/36/1077217336.db2.gz DTASINRRPQQCRN-UHFFFAOYSA-N 0 3 402.560 2.864 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NCCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641021 1077243873 /nfs/dbraw/zinc/24/38/73/1077243873.db2.gz VBQLFMNZMFLNDS-IRXDYDNUSA-N 0 3 414.449 2.874 20 0 HFADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788681875 1077249320 /nfs/dbraw/zinc/24/93/20/1077249320.db2.gz ZQRJIASIITYYHW-QAPCUYQASA-N 0 3 411.568 2.672 20 0 HFADHN O=S(=O)(N1CCC(CNCc2nccn2-c2ccccc2)CC1)C(F)(F)F ZINC000790962877 1077256082 /nfs/dbraw/zinc/25/60/82/1077256082.db2.gz SGJRAKJYGJFNQF-UHFFFAOYSA-N 0 3 402.442 2.524 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000790975300 1077268561 /nfs/dbraw/zinc/26/85/61/1077268561.db2.gz OWXYQIUSUFWDAG-LJQANCHMSA-N 0 3 420.517 2.596 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000791062265 1077286956 /nfs/dbraw/zinc/28/69/56/1077286956.db2.gz TVNKFSZYZLDLLH-QGZVFWFLSA-N 0 3 413.971 2.585 20 0 HFADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788832913 1077314272 /nfs/dbraw/zinc/31/42/72/1077314272.db2.gz UDHKFOXKZDCMHN-PTUXOGIPSA-N 0 3 420.557 2.949 20 0 HFADHN CC(C)[C@@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000788861637 1077322869 /nfs/dbraw/zinc/32/28/69/1077322869.db2.gz VDFVQWSGBMWIRX-RPWUZVMVSA-N 0 3 424.589 2.991 20 0 HFADHN COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](C2CCCCC2)[NH+](C)C)c1F ZINC000788882762 1077329100 /nfs/dbraw/zinc/32/91/00/1077329100.db2.gz VEZLQZRGDSDDOD-AWEZNQCLSA-N 0 3 404.479 2.540 20 0 HFADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925178 1077338010 /nfs/dbraw/zinc/33/80/10/1077338010.db2.gz CULINJIGOYHMPW-QFBILLFUSA-N 0 3 414.550 2.980 20 0 HFADHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000788916939 1077354403 /nfs/dbraw/zinc/35/44/03/1077354403.db2.gz RWQGSVOGSAEFKA-UHFFFAOYSA-N 0 3 410.765 2.994 20 0 HFADHN COc1ccc2nc(CNCC[C@@](O)(c3nccn3C)C(F)(F)F)sc2c1 ZINC000788967446 1077365981 /nfs/dbraw/zinc/36/59/81/1077365981.db2.gz PNJFPMSMWXTAHX-MRXNPFEDSA-N 0 3 400.426 2.968 20 0 HFADHN CN1CCN(CCCCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789031235 1077388853 /nfs/dbraw/zinc/38/88/53/1077388853.db2.gz QHRRGYZLLWDZAD-UHFFFAOYSA-N 0 3 423.989 2.563 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000791472980 1077444484 /nfs/dbraw/zinc/44/44/84/1077444484.db2.gz OVRXOUJVSSAUOY-JOCHJYFZSA-N 0 3 408.502 2.969 20 0 HFADHN CN1CCN(c2ccncc2NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000791541898 1077459162 /nfs/dbraw/zinc/45/91/62/1077459162.db2.gz CXEDFKWUNRIMCM-SFHVURJKSA-N 0 3 417.307 2.538 20 0 HFADHN CC(C)N1CCN(CCCOC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000791569246 1077464362 /nfs/dbraw/zinc/46/43/62/1077464362.db2.gz KGLUTWQTVXQSQU-UHFFFAOYSA-N 0 3 418.534 2.770 20 0 HFADHN Cc1csc([C@@](O)(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)C(F)(F)F)n1 ZINC000746818486 1077571234 /nfs/dbraw/zinc/57/12/34/1077571234.db2.gz ATZOQVCKUNAGSS-YJBOKZPZSA-N 0 3 415.481 2.881 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1c2ccccc2OCCC1=O ZINC000791979994 1077621253 /nfs/dbraw/zinc/62/12/53/1077621253.db2.gz RLTOJHTUYLWYLC-ICSRJNTNSA-N 0 3 405.498 2.945 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000791981216 1077621720 /nfs/dbraw/zinc/62/17/20/1077621720.db2.gz DIJBODRWYFZATE-HKUYNNGSSA-N 0 3 410.543 2.955 20 0 HFADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)NC1CCC2(CC1)OCCO2 ZINC000792013635 1077649439 /nfs/dbraw/zinc/64/94/39/1077649439.db2.gz CXIWEQOSQABTKU-UHFFFAOYSA-N 0 3 405.461 2.777 20 0 HFADHN COc1ccc(CN(C)C)cc1NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792052142 1077695510 /nfs/dbraw/zinc/69/55/10/1077695510.db2.gz HPYRFQFCAYDOLT-UHFFFAOYSA-N 0 3 420.554 2.638 20 0 HFADHN CC(C)OCCN1CCC(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792213213 1077767693 /nfs/dbraw/zinc/76/76/93/1077767693.db2.gz FOAOKUGHMBDQCY-UHFFFAOYSA-N 0 3 420.554 2.977 20 0 HFADHN O=C(NC[C@H](O)c1ccccc1F)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792278500 1077772509 /nfs/dbraw/zinc/77/25/09/1077772509.db2.gz ZOTNFGFGCKXVAI-KVULBXGLSA-N 0 3 403.420 2.964 20 0 HFADHN C[C@@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792275462 1077790543 /nfs/dbraw/zinc/79/05/43/1077790543.db2.gz BFHOENSCESVOCB-MRXNPFEDSA-N 0 3 418.563 2.682 20 0 HFADHN CC(C)(C)OC(=O)N1CCC2(CCN(CC(=O)N3CCOC[C@@H]3C3CC3)CC2)CC1 ZINC000792333307 1077822864 /nfs/dbraw/zinc/82/28/64/1077822864.db2.gz MOKMCXMXBIDCKK-LJQANCHMSA-N 0 3 421.582 2.737 20 0 HFADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nc(Br)ccc1F ZINC000792342469 1077827179 /nfs/dbraw/zinc/82/71/79/1077827179.db2.gz SXYTYRZWWOINJA-LJQANCHMSA-N 0 3 422.298 2.692 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000792398497 1077834842 /nfs/dbraw/zinc/83/48/42/1077834842.db2.gz ZGVMDLQAYUWLRR-UHFFFAOYSA-N 0 3 404.898 2.581 20 0 HFADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(Cl)cc2OC)c1 ZINC000792398444 1077834959 /nfs/dbraw/zinc/83/49/59/1077834959.db2.gz XVYNOWSKSHVFAD-UHFFFAOYSA-N 0 3 419.909 2.886 20 0 HFADHN CCC[C@@H](NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@H](O)c1ccccc1 ZINC000792405354 1077839005 /nfs/dbraw/zinc/83/90/05/1077839005.db2.gz BGDKTGKMVPRSJU-WIYYLYMNSA-N 0 3 413.518 2.714 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H]3C)cc2)CC1 ZINC000792385111 1077847994 /nfs/dbraw/zinc/84/79/94/1077847994.db2.gz DTDJEYOIGHPZEG-RHSMWYFYSA-N 0 3 412.456 2.566 20 0 HFADHN CC[C@]1(NCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CCOC1 ZINC000792417780 1077849208 /nfs/dbraw/zinc/84/92/08/1077849208.db2.gz JSNOHILSVKCSRR-QFIPXVFZSA-N 0 3 411.458 2.765 20 0 HFADHN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)=NO1 ZINC000789954681 1077867023 /nfs/dbraw/zinc/86/70/23/1077867023.db2.gz MZMRNKUMHKRHOU-MJGOQNOKSA-N 0 3 416.522 2.609 20 0 HFADHN O=C(Cc1cnn(-c2ccccc2)n1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792551340 1077900095 /nfs/dbraw/zinc/90/00/95/1077900095.db2.gz KYGDDAYFGUBDEW-UHFFFAOYSA-N 0 3 407.440 2.731 20 0 HFADHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000790010208 1077911466 /nfs/dbraw/zinc/91/14/66/1077911466.db2.gz JZNSWVGRTDFHSM-MRXNPFEDSA-N 0 3 401.532 2.915 20 0 HFADHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790020834 1077916817 /nfs/dbraw/zinc/91/68/17/1077916817.db2.gz NCWZJZDGLGCDQY-KRWDZBQOSA-N 0 3 413.584 2.966 20 0 HFADHN C[C@@H](Cc1ccccc1Cl)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001170274863 1077926141 /nfs/dbraw/zinc/92/61/41/1077926141.db2.gz RWHDTKZILBZUHL-INIZCTEOSA-N 0 3 400.910 2.959 20 0 HFADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049431 1077929560 /nfs/dbraw/zinc/92/95/60/1077929560.db2.gz GIGXZOJELFBBQI-WOJBJXKFSA-N 0 3 414.594 2.572 20 0 HFADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(OC(F)(F)F)c1 ZINC000790051312 1077931152 /nfs/dbraw/zinc/93/11/52/1077931152.db2.gz NIJAGIDNRGSZAO-UHFFFAOYSA-N 0 3 407.414 2.728 20 0 HFADHN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249825 1077976843 /nfs/dbraw/zinc/97/68/43/1077976843.db2.gz KYTXOOMSOOWGDO-DOMZBBRYSA-N 0 3 413.448 2.672 20 0 HFADHN CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000790292464 1077987580 /nfs/dbraw/zinc/98/75/80/1077987580.db2.gz KOFGLQGQPPBPHW-CABCVRRESA-N 0 3 400.292 2.593 20 0 HFADHN CC(C)(C)C[C@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000747086879 1077997415 /nfs/dbraw/zinc/99/74/15/1077997415.db2.gz IHOHBBDGUVZLSP-WZONZLPQSA-N 0 3 414.550 2.862 20 0 HFADHN COc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000792816612 1078003764 /nfs/dbraw/zinc/00/37/64/1078003764.db2.gz NBEOYIWLBRAPLF-XZOQPEGZSA-N 0 3 408.546 2.798 20 0 HFADHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792867210 1078011729 /nfs/dbraw/zinc/01/17/29/1078011729.db2.gz MLHXFWNFNBYHCP-KZNAEPCWSA-N 0 3 400.585 2.923 20 0 HFADHN COC(=O)N1CCC(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000806243721 1079520486 /nfs/dbraw/zinc/52/04/86/1079520486.db2.gz RNKYYOGEEYMXAJ-UHFFFAOYSA-N 0 3 420.579 2.878 20 0 HFADHN CCc1ccc([C@H](CNC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)N(C)C)cc1 ZINC000806308574 1079562446 /nfs/dbraw/zinc/56/24/46/1079562446.db2.gz VVXQRUAFQROBRA-LPHOPBHVSA-N 0 3 415.456 2.989 20 0 HFADHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747325556 1079598104 /nfs/dbraw/zinc/59/81/04/1079598104.db2.gz NBYZBFJHEGISPU-HUUCEWRRSA-N 0 3 411.531 2.598 20 0 HFADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327744 1079599919 /nfs/dbraw/zinc/59/99/19/1079599919.db2.gz GHVUVEPWOPXJJH-ZFWWWQNUSA-N 0 3 401.429 2.753 20 0 HFADHN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000806438180 1079706348 /nfs/dbraw/zinc/70/63/48/1079706348.db2.gz YMIYHIJAMFFKNA-KRWDZBQOSA-N 0 3 412.600 2.610 20 0 HFADHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2cccnc2-n2ccnc2C)cc1 ZINC000806506523 1079757846 /nfs/dbraw/zinc/75/78/46/1079757846.db2.gz XHOSJVMGQZCMBB-FQEVSTJZSA-N 0 3 408.506 2.686 20 0 HFADHN CC(=O)Nc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733062 1079971514 /nfs/dbraw/zinc/97/15/14/1079971514.db2.gz IIRFNBQUPOGJMM-GOTSBHOMSA-N 0 3 407.514 2.689 20 0 HFADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761261 1079979915 /nfs/dbraw/zinc/97/99/15/1079979915.db2.gz XUARKTHGLCASIR-PKOBYXMFSA-N 0 3 420.554 2.997 20 0 HFADHN CN1CCN(CCCOc2ccc(NC(=O)[C@]34CCO[C@H]3CCCC4)cc2)CC1 ZINC001130742172 1080005750 /nfs/dbraw/zinc/00/57/50/1080005750.db2.gz LPKREAAZTHHDML-JTHBVZDNSA-N 0 3 401.551 2.991 20 0 HFADHN C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)N1CCCCC1 ZINC000806857301 1080061295 /nfs/dbraw/zinc/06/12/95/1080061295.db2.gz PAAYYLLNNIHQTG-GFCCVEGCSA-N 0 3 403.857 2.913 20 0 HFADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c(F)cc1Br ZINC000806857193 1080061648 /nfs/dbraw/zinc/06/16/48/1080061648.db2.gz NRYPTZMRARLFKM-GFCCVEGCSA-N 0 3 400.292 2.826 20 0 HFADHN C[C@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)CN1CCN(C)CC1 ZINC000806865124 1080067195 /nfs/dbraw/zinc/06/71/95/1080067195.db2.gz PRGUFJSAOCQJCE-ZJSXRUAMSA-N 0 3 424.589 2.815 20 0 HFADHN COC(OC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)o1 ZINC000806927412 1080095549 /nfs/dbraw/zinc/09/55/49/1080095549.db2.gz IXOIECGUAFPACC-KRWDZBQOSA-N 0 3 415.490 2.990 20 0 HFADHN CC(C)(O)c1cccc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000806894491 1080100805 /nfs/dbraw/zinc/10/08/05/1080100805.db2.gz ALYRZCVIGUOYAK-UHFFFAOYSA-N 0 3 419.591 2.720 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)cc2)CC1 ZINC000806994108 1080173231 /nfs/dbraw/zinc/17/32/31/1080173231.db2.gz PYZGCDPSXHHTRG-UHFFFAOYSA-N 0 3 410.518 2.633 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000807113849 1080290645 /nfs/dbraw/zinc/29/06/45/1080290645.db2.gz IKECZIJJASANGP-YSIASYRMSA-N 0 3 402.539 2.817 20 0 HFADHN CN(C)C[C@@H](NC(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1 ZINC000807123247 1080296075 /nfs/dbraw/zinc/29/60/75/1080296075.db2.gz HLZOLLNDPMKKQG-SNCIUUNGSA-N 0 3 400.498 2.953 20 0 HFADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000807148369 1080304713 /nfs/dbraw/zinc/30/47/13/1080304713.db2.gz CFACBMAFSBVIHO-HHXXYDBFSA-N 0 3 408.518 2.985 20 0 HFADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000807149630 1080306950 /nfs/dbraw/zinc/30/69/50/1080306950.db2.gz FVHOGSOSOBWCJS-DNVCBOLYSA-N 0 3 408.518 2.985 20 0 HFADHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC001130895327 1080430875 /nfs/dbraw/zinc/43/08/75/1080430875.db2.gz MMMTXTPIUYIFLJ-AWEZNQCLSA-N 0 3 415.987 2.972 20 0 HFADHN C[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)CN1CCN(C)CC1 ZINC000747394615 1080570104 /nfs/dbraw/zinc/57/01/04/1080570104.db2.gz VGYKMBYSUPBXQO-MRXNPFEDSA-N 0 3 406.621 2.636 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000807400829 1080596583 /nfs/dbraw/zinc/59/65/83/1080596583.db2.gz FOAHBJIIJADXMV-SIIHOXLZSA-N 0 3 401.429 2.815 20 0 HFADHN COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C[C@@H]2O ZINC000807402673 1080598148 /nfs/dbraw/zinc/59/81/48/1080598148.db2.gz KQUCMRSTCCSFNA-FXCLAUTBSA-N 0 3 413.518 2.954 20 0 HFADHN CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442967 1080663465 /nfs/dbraw/zinc/66/34/65/1080663465.db2.gz UTQGLXCPNKXOLB-MELADBBJSA-N 0 3 404.433 2.513 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C3CCC(F)(F)CC3)cc2)CC1 ZINC000807534683 1080749683 /nfs/dbraw/zinc/74/96/83/1080749683.db2.gz WISJLXXDXFFZOQ-UHFFFAOYSA-N 0 3 408.493 2.803 20 0 HFADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCc2cc(C)cc(Cl)n2)c1 ZINC000807557450 1080807863 /nfs/dbraw/zinc/80/78/63/1080807863.db2.gz BJCKLQYVQCKGIL-UHFFFAOYSA-N 0 3 402.926 2.558 20 0 HFADHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H](CO)Cc1ccccc1 ZINC001308378741 1126165519 /nfs/dbraw/zinc/16/55/19/1126165519.db2.gz ODWLWXZUVILPOF-KBXCAEBGSA-N 0 3 421.335 2.656 20 0 HFADHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1Cc2ccccc2[C@H]1O ZINC001560615615 1126213792 /nfs/dbraw/zinc/21/37/92/1126213792.db2.gz WFZXOUSZZOETIO-OEPMTFCVSA-N 0 3 419.319 2.710 20 0 HFADHN COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@H]3C2)c(Cl)nn1 ZINC001164391861 718825990 /nfs/dbraw/zinc/82/59/90/718825990.db2.gz XRPBZEZDPRCGKR-PBHICJAKSA-N 0 3 410.852 2.918 20 0 HFADHN CCOC(=O)c1c[nH]c2ncnc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)c12 ZINC001164649753 719308856 /nfs/dbraw/zinc/30/88/56/719308856.db2.gz XSNIOKKTMSJVSO-UHFFFAOYSA-N 0 3 411.510 2.536 20 0 HFADHN CSc1nc2sccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740849 720630625 /nfs/dbraw/zinc/63/06/25/720630625.db2.gz JLBZXRNZNMAZCP-STQMWFEESA-N 0 3 400.533 2.545 20 0 HFADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736789 720682880 /nfs/dbraw/zinc/68/28/80/720682880.db2.gz BGFATUYBOORDRX-STQMWFEESA-N 0 3 400.845 2.554 20 0 HFADHN Fc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736783 720682926 /nfs/dbraw/zinc/68/29/26/720682926.db2.gz BGFATUYBOORDRX-CHWSQXEVSA-N 0 3 400.845 2.554 20 0 HFADHN NC(=O)c1ccc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)nc1Cl ZINC001164838100 720737042 /nfs/dbraw/zinc/73/70/42/720737042.db2.gz RUFPWXVRVUYYHP-UHFFFAOYSA-N 0 3 424.883 2.628 20 0 HFADHN O=C(c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869507 721049837 /nfs/dbraw/zinc/04/98/37/721049837.db2.gz TZZALWXPSYPRFP-LEWJYISDSA-N 0 3 421.545 2.582 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867692 721056747 /nfs/dbraw/zinc/05/67/47/721056747.db2.gz JRMWYWQPXGLQJV-WOJBJXKFSA-N 0 3 410.518 2.912 20 0 HFADHN COc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164865871 721061683 /nfs/dbraw/zinc/06/16/83/721061683.db2.gz BCWTZVORSFUOQS-MSOLQXFVSA-N 0 3 421.501 2.522 20 0 HFADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CSC2 ZINC001164866241 721070208 /nfs/dbraw/zinc/07/02/08/721070208.db2.gz DALFYFWIGOTQKY-CABCVRRESA-N 0 3 403.939 2.752 20 0 HFADHN COc1cc2ncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164867375 721082106 /nfs/dbraw/zinc/08/21/06/721082106.db2.gz YEXIVFMABDLYHR-ZWKOTPCHSA-N 0 3 421.501 2.522 20 0 HFADHN CCOC(=O)/C=C/c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865315 721111725 /nfs/dbraw/zinc/11/17/25/721111725.db2.gz JUWLWMSNFHZUPF-KSFASEQNSA-N 0 3 408.502 2.533 20 0 HFADHN COC(=O)c1ccc2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164764822 721114105 /nfs/dbraw/zinc/11/41/05/721114105.db2.gz IBXVCDASRWVIQM-VQTJNVASSA-N 0 3 405.502 2.713 20 0 HFADHN CSc1nc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164863337 721115636 /nfs/dbraw/zinc/11/56/36/721115636.db2.gz BZHHWAQQQIXZSI-CABCVRRESA-N 0 3 414.560 2.683 20 0 HFADHN CSc1nc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164863339 721116198 /nfs/dbraw/zinc/11/61/98/721116198.db2.gz BZHHWAQQQIXZSI-GJZGRUSLSA-N 0 3 414.560 2.683 20 0 HFADHN COC(=O)c1ccc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164871107 721134313 /nfs/dbraw/zinc/13/43/13/721134313.db2.gz DRHYUMSDOHWOBO-VXKWHMMOSA-N 0 3 418.497 2.896 20 0 HFADHN COc1cccc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164761660 721147266 /nfs/dbraw/zinc/14/72/66/721147266.db2.gz ACUAETIEKLXFAS-HOTGVXAUSA-N 0 3 412.925 2.984 20 0 HFADHN COc1cc2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164763453 721156064 /nfs/dbraw/zinc/15/60/64/721156064.db2.gz GBQPUVBUEDHUGR-OALUTQOASA-N 0 3 407.518 2.944 20 0 HFADHN COc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164762000 721194057 /nfs/dbraw/zinc/19/40/57/721194057.db2.gz BQMJJUMUGOMARE-VQTJNVASSA-N 0 3 404.518 2.844 20 0 HFADHN COc1cccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164770855 721202313 /nfs/dbraw/zinc/20/23/13/721202313.db2.gz OXKNBECRBASROB-UXHICEINSA-N 0 3 404.518 2.844 20 0 HFADHN Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164774445 721219493 /nfs/dbraw/zinc/21/94/93/721219493.db2.gz ZKIOKTLLPMFHAF-PMACEKPBSA-N 0 3 403.534 2.847 20 0 HFADHN Cc1nc(-c2ccccn2)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164774448 721223146 /nfs/dbraw/zinc/22/31/46/721223146.db2.gz ZKIOKTLLPMFHAF-UXHICEINSA-N 0 3 403.534 2.847 20 0 HFADHN CN(C)Cc1ccnc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)c1 ZINC001164874770 721299626 /nfs/dbraw/zinc/29/96/26/721299626.db2.gz CJACKXPJIAGWSO-HKUYNNGSSA-N 0 3 400.548 2.572 20 0 HFADHN CCOC(=O)c1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900112 721511137 /nfs/dbraw/zinc/51/11/37/721511137.db2.gz OFVGJCWIIXBDCF-GDBMZVCRSA-N 0 3 420.872 2.788 20 0 HFADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899676 721518143 /nfs/dbraw/zinc/51/81/43/721518143.db2.gz LOZYZHJQHJHCRF-PKOBYXMFSA-N 0 3 422.460 2.897 20 0 HFADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911024 721540050 /nfs/dbraw/zinc/54/00/50/721540050.db2.gz VEMMPUYVCFQIHM-FUHWJXTLSA-N 0 3 415.465 2.748 20 0 HFADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903419 721540549 /nfs/dbraw/zinc/54/05/49/721540549.db2.gz CLEWJYVAGMOJGQ-FUHWJXTLSA-N 0 3 414.481 2.913 20 0 HFADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164903103 721560987 /nfs/dbraw/zinc/56/09/87/721560987.db2.gz AKRFZPWFIFPNBI-PKOBYXMFSA-N 0 3 415.538 2.511 20 0 HFADHN CN(Cc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164812236 721582764 /nfs/dbraw/zinc/58/27/64/721582764.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 0 3 407.562 2.939 20 0 HFADHN NC(=O)c1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905531 721586131 /nfs/dbraw/zinc/58/61/31/721586131.db2.gz JRFDMJZDYNNWIN-LJQANCHMSA-N 0 3 421.879 2.967 20 0 HFADHN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncccc2CN2CCCC2)C1 ZINC001164804627 721606761 /nfs/dbraw/zinc/60/67/61/721606761.db2.gz MGCBHOGHQIQDIO-HSZRJFAPSA-N 0 3 408.550 2.520 20 0 HFADHN COC(=O)c1c(C)cc(C)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963796 722055617 /nfs/dbraw/zinc/05/56/17/722055617.db2.gz LEXCPSXTYOZIBR-UHFFFAOYSA-N 0 3 424.545 2.999 20 0 HFADHN Fc1c[nH]c2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164985142 722100110 /nfs/dbraw/zinc/10/01/10/722100110.db2.gz UZGXIQHWZSNECX-HOCLYGCPSA-N 0 3 416.888 2.873 20 0 HFADHN F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972482 722118631 /nfs/dbraw/zinc/11/86/31/722118631.db2.gz FRHWDUZJBQCDHZ-KPFFTGBYSA-N 0 3 406.889 2.985 20 0 HFADHN COc1nc(Cl)nc(C)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975775 722118642 /nfs/dbraw/zinc/11/86/42/722118642.db2.gz KYMMBIFXFWDEII-DLBZAZTESA-N 0 3 403.914 2.569 20 0 HFADHN COc1nc(Cl)nc(C)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975791 722118655 /nfs/dbraw/zinc/11/86/55/722118655.db2.gz KYMMBIFXFWDEII-IRXDYDNUSA-N 0 3 403.914 2.569 20 0 HFADHN CCOC(=O)c1c(C)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164971463 722125782 /nfs/dbraw/zinc/12/57/82/722125782.db2.gz COLHISKXBJMJKG-RTWAWAEBSA-N 0 3 424.545 2.997 20 0 HFADHN CCOC(=O)c1c(C)ccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984651 722132567 /nfs/dbraw/zinc/13/25/67/722132567.db2.gz YFWOFKIYGAJMTI-PMACEKPBSA-N 0 3 410.518 2.689 20 0 HFADHN COC(OC)c1cc(C)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980942 722134220 /nfs/dbraw/zinc/13/42/20/722134220.db2.gz NXSMBARUSYGQNQ-PZJWPPBQSA-N 0 3 412.534 2.804 20 0 HFADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164983353 722138220 /nfs/dbraw/zinc/13/82/20/722138220.db2.gz UOUKDXIJGLQOKM-VXKWHMMOSA-N 0 3 416.529 2.969 20 0 HFADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164980254 722139008 /nfs/dbraw/zinc/13/90/08/722139008.db2.gz MEKIFAMVGVJNQE-RBBKRZOGSA-N 0 3 416.529 2.969 20 0 HFADHN c1cncc(CN2CCO[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3C2)c1 ZINC001164978897 722144467 /nfs/dbraw/zinc/14/44/67/722144467.db2.gz KLWYSJOTILGKRO-UNMCSNQZSA-N 0 3 402.502 2.661 20 0 HFADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3C2)c1 ZINC001164972540 722147703 /nfs/dbraw/zinc/14/77/03/722147703.db2.gz ABIUBDYOBKOPAU-RBBKRZOGSA-N 0 3 402.502 2.661 20 0 HFADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164988265 722187761 /nfs/dbraw/zinc/18/77/61/722187761.db2.gz CYUZFCJJWBPIAY-HXUWFJFHSA-N 0 3 400.567 2.777 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)nc1Br ZINC000793042543 1078054403 /nfs/dbraw/zinc/05/44/03/1078054403.db2.gz OEPNVCWWMZIJFU-AWEZNQCLSA-N 0 3 409.328 2.568 20 0 HFADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)nc1Br ZINC000793049125 1078056364 /nfs/dbraw/zinc/05/63/64/1078056364.db2.gz CDJUTGOZHJNSKH-BBRMVZONSA-N 0 3 419.323 2.899 20 0 HFADHN NC(=O)c1cccnc1COC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000793256264 1078111737 /nfs/dbraw/zinc/11/17/37/1078111737.db2.gz DLRRAYDGQKPSCR-GFCCVEGCSA-N 0 3 408.241 2.584 20 0 HFADHN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001170431981 1078174140 /nfs/dbraw/zinc/17/41/40/1078174140.db2.gz PSGZFQHORWYPDD-SFHVURJKSA-N 0 3 405.539 2.879 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)cc2)c(C)cc1F ZINC000793416848 1078176776 /nfs/dbraw/zinc/17/67/76/1078176776.db2.gz RGTYQWUJGUUNDJ-UHFFFAOYSA-N 0 3 410.467 2.662 20 0 HFADHN CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cs1 ZINC000793465737 1078181335 /nfs/dbraw/zinc/18/13/35/1078181335.db2.gz VLJPTKUWLYAQGI-OAHLLOKOSA-N 0 3 408.568 2.911 20 0 HFADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793622335 1078230071 /nfs/dbraw/zinc/23/00/71/1078230071.db2.gz UBUMJTBIGCGKRV-CABCVRRESA-N 0 3 408.568 2.909 20 0 HFADHN C[C@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000793636937 1078236994 /nfs/dbraw/zinc/23/69/94/1078236994.db2.gz KSMDNHPFEUFRKP-INIZCTEOSA-N 0 3 417.937 2.600 20 0 HFADHN COc1cccc(-c2ccc(CNC(=O)C(=O)NC[C@@H](C)N3CCCCC3)cc2)c1 ZINC000793716694 1078263476 /nfs/dbraw/zinc/26/34/76/1078263476.db2.gz KXTFZROIYIBETC-GOSISDBHSA-N 0 3 409.530 2.969 20 0 HFADHN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793718320 1078263579 /nfs/dbraw/zinc/26/35/79/1078263579.db2.gz ISCGIQWQGYOJAQ-OAHLLOKOSA-N 0 3 410.356 2.707 20 0 HFADHN C[C@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCCCC1 ZINC000793720880 1078265475 /nfs/dbraw/zinc/26/54/75/1078265475.db2.gz IPQCPYIJUWTEQM-QGZVFWFLSA-N 0 3 415.534 2.677 20 0 HFADHN COc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1OC1CCCC1 ZINC000793697665 1078272800 /nfs/dbraw/zinc/27/28/00/1078272800.db2.gz IQNIZSNFIRPFRR-QGZVFWFLSA-N 0 3 417.550 2.623 20 0 HFADHN C[C@@H](CNC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1)N1CCCCC1 ZINC000793699853 1078273527 /nfs/dbraw/zinc/27/35/27/1078273527.db2.gz BLWPMRQXOOZFKH-INIZCTEOSA-N 0 3 414.575 2.993 20 0 HFADHN C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793700933 1078273844 /nfs/dbraw/zinc/27/38/44/1078273844.db2.gz NBFJMPCJXDOYLY-HOTGVXAUSA-N 0 3 424.383 2.877 20 0 HFADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000793783596 1078293815 /nfs/dbraw/zinc/29/38/15/1078293815.db2.gz KFBVFGIRPXYBPD-AQNXPRMDSA-N 0 3 403.592 2.976 20 0 HFADHN C[C@H]1C[C@@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793838505 1078310831 /nfs/dbraw/zinc/31/08/31/1078310831.db2.gz KJEVVRWZOYOHAF-ROUUACIJSA-N 0 3 410.603 2.554 20 0 HFADHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000794217173 1078394983 /nfs/dbraw/zinc/39/49/83/1078394983.db2.gz FLTQREREMIQLFS-CQSZACIVSA-N 0 3 401.548 2.753 20 0 HFADHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000794217173 1078394985 /nfs/dbraw/zinc/39/49/85/1078394985.db2.gz FLTQREREMIQLFS-CQSZACIVSA-N 0 3 401.548 2.753 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000794326257 1078414799 /nfs/dbraw/zinc/41/47/99/1078414799.db2.gz DHWUAMBYSUVKAV-MRXNPFEDSA-N 0 3 417.510 2.587 20 0 HFADHN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794338556 1078419143 /nfs/dbraw/zinc/41/91/43/1078419143.db2.gz HHDUQGMSHXAFAU-YJBOKZPZSA-N 0 3 406.527 2.678 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330413 1078416037 /nfs/dbraw/zinc/41/60/37/1078416037.db2.gz VZCNNIQSZYRIEC-HZPDHXFCSA-N 0 3 401.548 2.593 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000794340612 1078419829 /nfs/dbraw/zinc/41/98/29/1078419829.db2.gz YSCAJIBXPHQZTG-UHFFFAOYSA-N 0 3 404.511 2.576 20 0 HFADHN COc1cnccc1N1CCN(C(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341882 1078420165 /nfs/dbraw/zinc/42/01/65/1078420165.db2.gz APCJIANIDDASFK-AEFFLSMTSA-N 0 3 418.538 2.774 20 0 HFADHN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794344897 1078420971 /nfs/dbraw/zinc/42/09/71/1078420971.db2.gz POELYCIQDXIFLZ-OAQYLSRUSA-N 0 3 406.527 2.680 20 0 HFADHN COc1cnccc1N1CCN(C(=O)CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000794345853 1078421145 /nfs/dbraw/zinc/42/11/45/1078421145.db2.gz SQUAVDPBVQUZQG-UHFFFAOYSA-N 0 3 406.527 2.824 20 0 HFADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000794383732 1078432696 /nfs/dbraw/zinc/43/26/96/1078432696.db2.gz PMHANTNPYSUJRX-MOPGFXCFSA-N 0 3 405.539 2.547 20 0 HFADHN CC(C)Cc1ncnc(NC[C@@H]2CN3CCC[C@H]3CO2)c1I ZINC000804396543 1078461620 /nfs/dbraw/zinc/46/16/20/1078461620.db2.gz JOIJKYYDCLHADK-QWHCGFSZSA-N 0 3 416.307 2.555 20 0 HFADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418909 1078468837 /nfs/dbraw/zinc/46/88/37/1078468837.db2.gz ZGTPOBJKUNAYOX-VQTJNVASSA-N 0 3 421.969 2.603 20 0 HFADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420302 1078469358 /nfs/dbraw/zinc/46/93/58/1078469358.db2.gz GSBDNXGQVNXNSK-HIFRSBDPSA-N 0 3 401.429 2.753 20 0 HFADHN COCCCN(C(=O)c1cnn(C(C)(C)C)c1Br)C1CCN(C)CC1 ZINC001129488243 1078507856 /nfs/dbraw/zinc/50/78/56/1078507856.db2.gz QDKHZMPCNDERAF-UHFFFAOYSA-N 0 3 415.376 2.974 20 0 HFADHN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC001129572078 1078564885 /nfs/dbraw/zinc/56/48/85/1078564885.db2.gz JCUNLNQBVWDDRQ-NRFANRHFSA-N 0 3 419.566 2.897 20 0 HFADHN CC(=O)c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(S(N)(=O)=O)c1 ZINC000804811880 1078657011 /nfs/dbraw/zinc/65/70/11/1078657011.db2.gz FRLCBQVLHAWULH-QFIPXVFZSA-N 0 3 413.543 2.639 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000805122467 1078921585 /nfs/dbraw/zinc/92/15/85/1078921585.db2.gz XUEIEIBOYCQTAC-KRWDZBQOSA-N 0 3 402.438 2.779 20 0 HFADHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001130099618 1078949951 /nfs/dbraw/zinc/94/99/51/1078949951.db2.gz VRAIMLYCJUAYRE-IBGZPJMESA-N 0 3 413.543 2.604 20 0 HFADHN CCN(CCc1ccccn1)C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805195945 1078969968 /nfs/dbraw/zinc/96/99/68/1078969968.db2.gz HENGMCQAVNKXCR-DEOSSOPVSA-N 0 3 408.546 2.644 20 0 HFADHN CCOc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1OCc1cccnc1 ZINC000747236395 1078994161 /nfs/dbraw/zinc/99/41/61/1078994161.db2.gz MJDLIPPKUGEKLK-PMACEKPBSA-N 0 3 411.502 2.652 20 0 HFADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235901 1079004664 /nfs/dbraw/zinc/00/46/64/1079004664.db2.gz JIFYDUTYCZJRSG-CABCVRRESA-N 0 3 412.387 2.623 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1F ZINC000747239716 1079052643 /nfs/dbraw/zinc/05/26/43/1079052643.db2.gz AKJHFCSJYVPKDP-UHFFFAOYSA-N 0 3 406.479 2.687 20 0 HFADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000805411757 1079073351 /nfs/dbraw/zinc/07/33/51/1079073351.db2.gz YFLYPXKYYWYUHP-PMACEKPBSA-N 0 3 402.539 2.811 20 0 HFADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000805411765 1079073384 /nfs/dbraw/zinc/07/33/84/1079073384.db2.gz YFLYPXKYYWYUHP-WOJBJXKFSA-N 0 3 402.539 2.811 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246889 1079122659 /nfs/dbraw/zinc/12/26/59/1079122659.db2.gz IPYWQLSIBJCVPW-KGLIPLIRSA-N 0 3 407.319 2.685 20 0 HFADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246889 1079122662 /nfs/dbraw/zinc/12/26/62/1079122662.db2.gz IPYWQLSIBJCVPW-KGLIPLIRSA-N 0 3 407.319 2.685 20 0 HFADHN COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001130301636 1079193837 /nfs/dbraw/zinc/19/38/37/1079193837.db2.gz SKNUCRRZLJQKTR-ROUUACIJSA-N 0 3 401.536 2.501 20 0 HFADHN CCCN(C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805752180 1079231240 /nfs/dbraw/zinc/23/12/40/1079231240.db2.gz ADYCXPWYSZTFMO-ROUUACIJSA-N 0 3 408.930 2.959 20 0 HFADHN NS(=O)(=O)c1ccc(CCN2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827406 1079297780 /nfs/dbraw/zinc/29/77/80/1079297780.db2.gz QZVDQHPWKHIWTJ-LJQANCHMSA-N 0 3 423.579 2.790 20 0 HFADHN C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000805940794 1079343722 /nfs/dbraw/zinc/34/37/22/1079343722.db2.gz CNABHOLNDKYTDC-AUSIDOKSSA-N 0 3 423.557 2.595 20 0 HFADHN CN(C)S(=O)(=O)c1ccccc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000806000619 1079397211 /nfs/dbraw/zinc/39/72/11/1079397211.db2.gz IEFGZVDGNXANAO-UHFFFAOYSA-N 0 3 416.543 2.892 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](CCNC(C)=O)C3)cc2)CC1 ZINC000806154721 1079470538 /nfs/dbraw/zinc/47/05/38/1079470538.db2.gz JGQWGVPTMNIQDS-IBGZPJMESA-N 0 3 401.555 2.599 20 0 HFADHN C[C@@H]1CCn2ncc(C(=O)Nc3ccc(OCCCN4CCN(C)CC4)cc3)c2C1 ZINC001130542518 1079463333 /nfs/dbraw/zinc/46/33/33/1079463333.db2.gz XSNQFHGBHPZRNV-GOSISDBHSA-N 0 3 411.550 2.734 20 0 HFADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC)cc2)CC1 ZINC000806153350 1079469988 /nfs/dbraw/zinc/46/99/88/1079469988.db2.gz NEMCFCJCMWXGON-LJQANCHMSA-N 0 3 403.527 2.571 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000806154228 1079470463 /nfs/dbraw/zinc/47/04/63/1079470463.db2.gz BZVWABFNANOXAX-HXUWFJFHSA-N 0 3 417.554 2.961 20 0 HFADHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(-n3nccn3)nc2)N(C)C)cc1 ZINC000806212401 1079496775 /nfs/dbraw/zinc/49/67/75/1079496775.db2.gz PDHKSULCNAWYHT-LJQANCHMSA-N 0 3 409.494 2.874 20 0 HFADHN CN(C)C[C@H](NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000806247436 1079501185 /nfs/dbraw/zinc/50/11/85/1079501185.db2.gz MEAZXCPKGYRYPS-IBGZPJMESA-N 0 3 423.510 2.674 20 0 HFADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000787471390 1076835426 /nfs/dbraw/zinc/83/54/26/1076835426.db2.gz RMNDWQAIIPAEDY-GOSISDBHSA-N 0 3 414.550 2.550 20 0 HFADHN CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000787533118 1076850945 /nfs/dbraw/zinc/85/09/45/1076850945.db2.gz NBNWGEYZVZKMJV-UHFFFAOYSA-N 0 3 422.378 2.848 20 0 HFADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000787675114 1076890072 /nfs/dbraw/zinc/89/00/72/1076890072.db2.gz XBGMVPFNPZZLSH-HKUYNNGSSA-N 0 3 421.582 2.735 20 0 HFADHN CC(C)[C@H](CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)N1CCC(C)CC1 ZINC000746702018 1076906080 /nfs/dbraw/zinc/90/60/80/1076906080.db2.gz JDTUCINIQKOEKG-NRFANRHFSA-N 0 3 404.580 2.966 20 0 HFADHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710648 1076922232 /nfs/dbraw/zinc/92/22/32/1076922232.db2.gz MUVOAMUHJZPLGW-UTKZUKDTSA-N 0 3 423.579 2.703 20 0 HFADHN CCOC(=O)[C@H]1[C@H](NCc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752649 1076927720 /nfs/dbraw/zinc/92/77/20/1076927720.db2.gz ZJWIVUNAMJOVPN-IEBWSBKVSA-N 0 3 414.506 2.903 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768051 1076941403 /nfs/dbraw/zinc/94/14/03/1076941403.db2.gz XTOZYUUUHUIHIF-XGHQBKJUSA-N 0 3 410.486 2.564 20 0 HFADHN Cc1cnc(Cl)c(NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000787891245 1076980113 /nfs/dbraw/zinc/98/01/13/1076980113.db2.gz WWFCZWRGXZZPIE-AWEZNQCLSA-N 0 3 401.898 2.719 20 0 HFADHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994199 1077021821 /nfs/dbraw/zinc/02/18/21/1077021821.db2.gz ACCRGWOXMXQZKP-OIISXLGYSA-N 0 3 414.474 2.559 20 0 HFADHN COc1ccc(OC)c2c1CN(C[C@@H]1CN(Cc3ccccc3)CCCO1)C[C@H]2O ZINC000788011478 1077027877 /nfs/dbraw/zinc/02/78/77/1077027877.db2.gz JSYXXIGZMYWWKM-PZJWPPBQSA-N 0 3 412.530 2.844 20 0 HFADHN CN(C)[C@H]1CCCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788047028 1077041129 /nfs/dbraw/zinc/04/11/29/1077041129.db2.gz ODLHILXIQLEMIE-JTQLQIEISA-N 0 3 400.704 2.615 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742956 1077114944 /nfs/dbraw/zinc/11/49/44/1077114944.db2.gz ATJMEXGJWNORGU-LSDHHAIUSA-N 0 3 401.442 2.738 20 0 HFADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788363810 1077126754 /nfs/dbraw/zinc/12/67/54/1077126754.db2.gz LIGKJZCYZJODQR-UHFFFAOYSA-N 0 3 401.523 2.503 20 0 HFADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505060 1077184813 /nfs/dbraw/zinc/18/48/13/1077184813.db2.gz RGKHHXMJBHHACC-ZOBUZTSGSA-N 0 3 411.568 2.882 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000788599249 1077218525 /nfs/dbraw/zinc/21/85/25/1077218525.db2.gz RGHCYZKSSSBNAR-KRWDZBQOSA-N 0 3 411.568 2.674 20 0 HFADHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000788599194 1077218574 /nfs/dbraw/zinc/21/85/74/1077218574.db2.gz QTUPRJLYFSXMEQ-HNNXBMFYSA-N 0 3 403.504 2.744 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000788611550 1077227197 /nfs/dbraw/zinc/22/71/97/1077227197.db2.gz XCJJNLOICKOOEG-QGZVFWFLSA-N 0 3 411.568 2.768 20 0 HFADHN CCc1ccc([C@@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC000788621760 1077232141 /nfs/dbraw/zinc/23/21/41/1077232141.db2.gz VUPSVLFLUZCKHJ-IEBWSBKVSA-N 0 3 418.538 2.638 20 0 HFADHN CCc1ccc([C@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC000788621761 1077232194 /nfs/dbraw/zinc/23/21/94/1077232194.db2.gz VUPSVLFLUZCKHJ-MJGOQNOKSA-N 0 3 418.538 2.638 20 0 HFADHN CCN1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@@H](C)C1 ZINC000788634458 1077239925 /nfs/dbraw/zinc/23/99/25/1077239925.db2.gz JYRVIDDYPJQETN-JQWIXIFHSA-N 0 3 408.973 2.847 20 0 HFADHN Clc1ccc2c(n1)[C@@H](N[C@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637951 1077242225 /nfs/dbraw/zinc/24/22/25/1077242225.db2.gz CUHHGESKRYUUQD-IRXDYDNUSA-N 0 3 414.941 2.608 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000788640224 1077242776 /nfs/dbraw/zinc/24/27/76/1077242776.db2.gz GBGXSXRFRNDGOB-UHFFFAOYSA-N 0 3 413.584 2.920 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788672521 1077245471 /nfs/dbraw/zinc/24/54/71/1077245471.db2.gz RQAPDEXIJJVSBN-UHFFFAOYSA-N 0 3 409.552 2.594 20 0 HFADHN C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(CN(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788660076 1077256559 /nfs/dbraw/zinc/25/65/59/1077256559.db2.gz AEJHJGURASDAFB-HOTGVXAUSA-N 0 3 411.568 2.767 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000790967428 1077257378 /nfs/dbraw/zinc/25/73/78/1077257378.db2.gz FPZWVOZUVDGWFP-FQEVSTJZSA-N 0 3 410.518 2.836 20 0 HFADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000790975299 1077268544 /nfs/dbraw/zinc/26/85/44/1077268544.db2.gz OWXYQIUSUFWDAG-IBGZPJMESA-N 0 3 420.517 2.596 20 0 HFADHN CN(C(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788715139 1077268969 /nfs/dbraw/zinc/26/89/69/1077268969.db2.gz SENMGVSDFGIXJE-HSZRJFAPSA-N 0 3 420.557 2.877 20 0 HFADHN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000788751362 1077276178 /nfs/dbraw/zinc/27/61/78/1077276178.db2.gz VYUACYIGGKAVMY-MRXNPFEDSA-N 0 3 409.596 2.721 20 0 HFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788767078 1077281936 /nfs/dbraw/zinc/28/19/36/1077281936.db2.gz XEIHVFQNNNHPCN-GOSISDBHSA-N 0 3 405.514 2.973 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777738 1077298612 /nfs/dbraw/zinc/29/86/12/1077298612.db2.gz LORQLLKQQVDNQV-BZUAXINKSA-N 0 3 413.349 2.735 20 0 HFADHN COc1cccc(-c2nc(C)c(C(=O)O[C@H]3CCCN(c4ccnc(N)n4)C3)[nH]2)c1 ZINC000791105860 1077300290 /nfs/dbraw/zinc/30/02/90/1077300290.db2.gz FDOFYDDWPPXNPL-INIZCTEOSA-N 0 3 408.462 2.592 20 0 HFADHN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148099 1077308540 /nfs/dbraw/zinc/30/85/40/1077308540.db2.gz ZXUFUUHSTGQQLF-SJORKVTESA-N 0 3 407.559 2.565 20 0 HFADHN Cc1c(Cl)c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)sc1S(N)(=O)=O ZINC000791214235 1077347117 /nfs/dbraw/zinc/34/71/17/1077347117.db2.gz BWAVPHKYHAEHRP-CYBMUJFWSA-N 0 3 415.968 2.698 20 0 HFADHN C[C@@H](OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nnnn1C1CC1 ZINC000791347050 1077381228 /nfs/dbraw/zinc/38/12/28/1077381228.db2.gz WGYLAGVYVGPDTN-SKDRFNHKSA-N 0 3 410.261 2.972 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3C[C@@H](N(C)C)Cc4ccccc43)C2)c1 ZINC000791584050 1077472056 /nfs/dbraw/zinc/47/20/56/1077472056.db2.gz MOCXVQUQKYBDDW-KSFYIVLOSA-N 0 3 409.486 2.716 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)c1 ZINC000791596145 1077496784 /nfs/dbraw/zinc/49/67/84/1077496784.db2.gz YTEDWRUSHCZFFC-FDDCHVKYSA-N 0 3 423.513 2.978 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H](C)CN(C)Cc3ccccc3)C2)c1 ZINC000791690438 1077529151 /nfs/dbraw/zinc/52/91/51/1077529151.db2.gz OBPLPPWWJGACSN-OPAMFIHVSA-N 0 3 411.502 2.834 20 0 HFADHN COc1nc(Br)ccc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000789387684 1077532933 /nfs/dbraw/zinc/53/29/33/1077532933.db2.gz OGVOKYUFPRABFN-UHFFFAOYSA-N 0 3 408.300 2.843 20 0 HFADHN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000791718018 1077537824 /nfs/dbraw/zinc/53/78/24/1077537824.db2.gz KLJJRJMJIYQJJJ-HNOPTGFJSA-N 0 3 408.481 2.926 20 0 HFADHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000789361688 1077538188 /nfs/dbraw/zinc/53/81/88/1077538188.db2.gz CALLSRJZZICHTI-OAHLLOKOSA-N 0 3 400.479 2.501 20 0 HFADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000791979404 1077620033 /nfs/dbraw/zinc/62/00/33/1077620033.db2.gz DNCPUDKZYQNFSU-ICSRJNTNSA-N 0 3 424.545 2.726 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000789558809 1077676500 /nfs/dbraw/zinc/67/65/00/1077676500.db2.gz VXUUENFHHBZXAJ-UHFFFAOYSA-N 0 3 409.530 2.972 20 0 HFADHN CN(CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C ZINC000792073583 1077680237 /nfs/dbraw/zinc/68/02/37/1077680237.db2.gz FRALYZWRKAZGDX-UHFFFAOYSA-N 0 3 422.492 2.958 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074546 1077681535 /nfs/dbraw/zinc/68/15/35/1077681535.db2.gz JDDTZNWXFLLLKV-VWPFQQQWSA-N 0 3 412.303 2.607 20 0 HFADHN COc1cccc(C2=NO[C@@H](C(=O)N(C)C3CCN(CCc4ccccn4)CC3)C2)c1 ZINC000792119195 1077713106 /nfs/dbraw/zinc/71/31/06/1077713106.db2.gz LVSJNSSGJSYSDH-HSZRJFAPSA-N 0 3 422.529 2.749 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)C2)c1 ZINC000792096911 1077713772 /nfs/dbraw/zinc/71/37/72/1077713772.db2.gz LATQJVHWUPQBHE-UNMCSNQZSA-N 0 3 411.502 2.924 20 0 HFADHN CC(C)(C)OC(=O)N1CC(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792124959 1077714844 /nfs/dbraw/zinc/71/48/44/1077714844.db2.gz CYNZNQGSFIIHAY-UHFFFAOYSA-N 0 3 420.476 2.710 20 0 HFADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653148 1077721223 /nfs/dbraw/zinc/72/12/23/1077721223.db2.gz QABLPCBFSHCIEG-BIENJYKASA-N 0 3 405.495 2.977 20 0 HFADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CC(C)C)C3CCN(C)CC3)C2)c1 ZINC000792170472 1077733344 /nfs/dbraw/zinc/73/33/44/1077733344.db2.gz LDJAASYAHQPZER-OAQYLSRUSA-N 0 3 403.523 2.776 20 0 HFADHN COc1ccc([C@@H](O)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792280646 1077773378 /nfs/dbraw/zinc/77/33/78/1077773378.db2.gz WPJABCFBCUHUSW-HTWSVDAQSA-N 0 3 415.456 2.833 20 0 HFADHN CCCc1csc(NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)n1 ZINC000789749778 1077781862 /nfs/dbraw/zinc/78/18/62/1077781862.db2.gz WYJYFLBGMYCSIE-UHFFFAOYSA-N 0 3 401.536 2.815 20 0 HFADHN CCC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255300 1077781818 /nfs/dbraw/zinc/78/18/18/1077781818.db2.gz POVQECCHIRYQRF-QYZOEREBSA-N 0 3 404.551 2.744 20 0 HFADHN CC[C@H](C)[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260159 1077784797 /nfs/dbraw/zinc/78/47/97/1077784797.db2.gz NDDURUQEAGEJCY-NMLBUPMWSA-N 0 3 418.578 2.990 20 0 HFADHN CN1CCN(CCC(C)(C)NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792335455 1077824839 /nfs/dbraw/zinc/82/48/39/1077824839.db2.gz MCXUWLXJYDSRNW-UHFFFAOYSA-N 0 3 419.570 2.503 20 0 HFADHN Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792399249 1077835606 /nfs/dbraw/zinc/83/56/06/1077835606.db2.gz QXVBFOFKPYYOAD-UHFFFAOYSA-N 0 3 418.847 2.903 20 0 HFADHN CC(C)N1CCN(C2CCN(C(=O)c3nc(Br)cs3)CC2)CC1 ZINC000792406447 1077839415 /nfs/dbraw/zinc/83/94/15/1077839415.db2.gz HEDLUMRPPMYZIZ-UHFFFAOYSA-N 0 3 401.374 2.536 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790037041 1077906969 /nfs/dbraw/zinc/90/69/69/1077906969.db2.gz CDYHMMFPDMPCEF-SFHVURJKSA-N 0 3 423.579 2.911 20 0 HFADHN CC[C@H]1C[C@H](n2cncc2C[C@H](N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194070 1077911226 /nfs/dbraw/zinc/91/12/26/1077911226.db2.gz URAXYOMGRQTJGI-KPFFTGBYSA-N 0 3 424.501 2.937 20 0 HFADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790015040 1077914056 /nfs/dbraw/zinc/91/40/56/1077914056.db2.gz UBCASOWQUXKDNK-QGZVFWFLSA-N 0 3 411.568 2.674 20 0 HFADHN C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000790019818 1077916334 /nfs/dbraw/zinc/91/63/34/1077916334.db2.gz RJTUVPAYKGJPIG-HZPDHXFCSA-N 0 3 411.568 2.767 20 0 HFADHN CC[C@H]1C[C@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227962 1077917718 /nfs/dbraw/zinc/91/77/18/1077917718.db2.gz RAUZTBHXOIVDEF-MOPGFXCFSA-N 0 3 403.548 2.889 20 0 HFADHN COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264826 1077921418 /nfs/dbraw/zinc/92/14/18/1077921418.db2.gz ZADJHFYTTCIOJD-QFBILLFUSA-N 0 3 412.486 2.730 20 0 HFADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000790050057 1077930569 /nfs/dbraw/zinc/93/05/69/1077930569.db2.gz XDPREGDYUVSXQT-WBVHZDCISA-N 0 3 411.568 2.672 20 0 HFADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052767 1077931831 /nfs/dbraw/zinc/93/18/31/1077931831.db2.gz KYIQFEPUSAUEHE-OAQYLSRUSA-N 0 3 414.594 2.572 20 0 HFADHN CCCCN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCC[C@H]1OC ZINC001170290520 1077938767 /nfs/dbraw/zinc/93/87/67/1077938767.db2.gz NGVBNFKQVHTLGK-RTBURBONSA-N 0 3 404.490 2.800 20 0 HFADHN CC(C)N1CCN(c2ccc(NCCNC(=O)c3ccc(Cl)cn3)cn2)CC1 ZINC001170421135 1078000966 /nfs/dbraw/zinc/00/09/66/1078000966.db2.gz PSYOXTSAQFKQKC-UHFFFAOYSA-N 0 3 402.930 2.502 20 0 HFADHN O[C@H](C[C@H]1COCCN1C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873453 1078009637 /nfs/dbraw/zinc/00/96/37/1078009637.db2.gz SYNLGAVHWFVIEJ-BHDDXSALSA-N 0 3 400.519 2.695 20 0 HFADHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937844 1078029441 /nfs/dbraw/zinc/02/94/41/1078029441.db2.gz ZZRYVYSXWZBMKY-CKEIUWERSA-N 0 3 410.474 2.606 20 0 HFADHN O=S(=O)(C(F)F)N1CCC(CNCc2c(F)cccc2Br)CC1 ZINC000792988979 1078042076 /nfs/dbraw/zinc/04/20/76/1078042076.db2.gz YCNLGAZLRVVBSC-UHFFFAOYSA-N 0 3 415.275 2.942 20 0 HFADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000806270961 1079532772 /nfs/dbraw/zinc/53/27/72/1079532772.db2.gz KGYAWMFFFKPGKY-APWZRJJASA-N 0 3 413.440 2.961 20 0 HFADHN C[C@@H]1[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000806293265 1079579555 /nfs/dbraw/zinc/57/95/55/1079579555.db2.gz ZKUKEUACFBWZJP-AUUYWEPGSA-N 0 3 402.445 2.866 20 0 HFADHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c12 ZINC000747325399 1079600697 /nfs/dbraw/zinc/60/06/97/1079600697.db2.gz IRELCGOMKNDRIR-QZTJIDSGSA-N 0 3 405.502 2.537 20 0 HFADHN CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000806401956 1079689769 /nfs/dbraw/zinc/68/97/69/1079689769.db2.gz XXLWXXSAXQVUHE-FQEVSTJZSA-N 0 3 402.539 2.745 20 0 HFADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN(C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508929 1079722692 /nfs/dbraw/zinc/72/26/92/1079722692.db2.gz YHDUSGQOWOJDMQ-HLZCYKFHSA-N 0 3 413.942 2.541 20 0 HFADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806600389 1079842406 /nfs/dbraw/zinc/84/24/06/1079842406.db2.gz NXUYYPXZTGIXFJ-LJQANCHMSA-N 0 3 416.953 2.667 20 0 HFADHN CN1CC[C@](O)(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679593 1079909040 /nfs/dbraw/zinc/90/90/40/1079909040.db2.gz DIAINYLXLAJBCX-ZBFHGGJFSA-N 0 3 419.740 2.945 20 0 HFADHN COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000806682143 1079910222 /nfs/dbraw/zinc/91/02/22/1079910222.db2.gz CAZUIUPKSFMKIM-MJGOQNOKSA-N 0 3 406.527 2.607 20 0 HFADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806735636 1079960958 /nfs/dbraw/zinc/96/09/58/1079960958.db2.gz ATKVMCMMGFRPAS-ZRBLBEILSA-N 0 3 409.530 2.795 20 0 HFADHN COCCN1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806778806 1080004610 /nfs/dbraw/zinc/00/46/10/1080004610.db2.gz AAVXJJHXGZHGBI-UXHICEINSA-N 0 3 424.586 2.720 20 0 HFADHN CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000806811946 1080025615 /nfs/dbraw/zinc/02/56/15/1080025615.db2.gz YVRKBVNURJKWQJ-WOJBJXKFSA-N 0 3 402.539 2.961 20 0 HFADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000806851143 1080036307 /nfs/dbraw/zinc/03/63/07/1080036307.db2.gz HLUHWTLVZPCRHV-UHFFFAOYSA-N 0 3 419.529 2.659 20 0 HFADHN CN1CCN(CCCCNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806831852 1080045713 /nfs/dbraw/zinc/04/57/13/1080045713.db2.gz FILHFGLOVIHYQN-XMMPIXPASA-N 0 3 424.589 2.959 20 0 HFADHN COc1ccc2cc(NC(=O)C(=O)N(CCN(C)C)Cc3ccccn3)ccc2c1 ZINC000806891083 1080056483 /nfs/dbraw/zinc/05/64/83/1080056483.db2.gz UOJSMZWEVUELFH-UHFFFAOYSA-N 0 3 406.486 2.772 20 0 HFADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806870766 1080071257 /nfs/dbraw/zinc/07/12/57/1080071257.db2.gz NOXRDSMAXRYLNI-UHFFFAOYSA-N 0 3 419.472 2.721 20 0 HFADHN CN(C)C[C@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000807212423 1080362393 /nfs/dbraw/zinc/36/23/93/1080362393.db2.gz CEBCTXQBDFCJKL-PBAKHKOTSA-N 0 3 412.509 2.947 20 0 HFADHN CN(C)CCN(C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CC1 ZINC000807267110 1080417539 /nfs/dbraw/zinc/41/75/39/1080417539.db2.gz PRTUXQZBPZKSHO-SFHVURJKSA-N 0 3 405.543 2.621 20 0 HFADHN CCOC(=O)C1=C(N=c2nc[nH]c3c2CN(C)CC3)CCN(Cc2ccccc2)C1 ZINC001170521017 1080440974 /nfs/dbraw/zinc/44/09/74/1080440974.db2.gz DVNIJWNBSRLTHE-UHFFFAOYSA-N 0 3 407.518 2.600 20 0 HFADHN CN(C)C1(CNC(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)Cc2ccccc2C1 ZINC000807299285 1080493493 /nfs/dbraw/zinc/49/34/93/1080493493.db2.gz NWVKDPXXQFRIDS-UHFFFAOYSA-N 0 3 423.532 2.747 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442965 1080663329 /nfs/dbraw/zinc/66/33/29/1080663329.db2.gz UTQGLXCPNKXOLB-BFHYXJOUSA-N 0 3 404.433 2.513 20 0 HFADHN CC[C@H](C)N[C@H](CNC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807444002 1080664807 /nfs/dbraw/zinc/66/48/07/1080664807.db2.gz XKYPJNVZGWJKMG-YESZJQIVSA-N 0 3 424.542 2.644 20 0 HFADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000807487735 1080673182 /nfs/dbraw/zinc/67/31/82/1080673182.db2.gz HEUOCXMIRFIJGY-QGZVFWFLSA-N 0 3 409.408 2.555 20 0 HFADHN C[C@](O)(CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)c1ccccc1 ZINC000807504911 1080705498 /nfs/dbraw/zinc/70/54/98/1080705498.db2.gz TVKHXCKMZFYFGY-QHCPKHFHSA-N 0 3 415.578 2.563 20 0 HFADHN Cc1cccc(F)c1CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000807518930 1080772288 /nfs/dbraw/zinc/77/22/88/1080772288.db2.gz PVXGIKOYWOHAQM-UHFFFAOYSA-N 0 3 405.901 2.994 20 0 HFADHN COC(=O)N1CCC(CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000807525895 1080778510 /nfs/dbraw/zinc/77/85/10/1080778510.db2.gz XGXOKNILQURASQ-HXUWFJFHSA-N 0 3 420.554 2.854 20 0 HFADHN COc1ccc2nc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)[nH]c2n1 ZINC001559997277 1126207135 /nfs/dbraw/zinc/20/71/35/1126207135.db2.gz RMZTZBOFIAHFQB-IBGZPJMESA-N 0 3 417.307 2.739 20 0 HFADHN