smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1)c1ccc(-c2ccccn2)s1 ZINC000001033959 194006510 /nfs/dbraw/zinc/00/65/10/194006510.db2.gz GEKHKTBQUKVFNG-UHFFFAOYSA-N 0 1 495.973 5.395 50 0 JKAAMN CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000001059898 194012377 /nfs/dbraw/zinc/01/23/77/194012377.db2.gz JEEHJXLNGVXJPG-UHFFFAOYSA-N 0 1 461.008 5.732 50 0 JKAAMN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000001062863 194012631 /nfs/dbraw/zinc/01/26/31/194012631.db2.gz MERKRZAPWYVNCC-UHFFFAOYSA-N 0 1 455.750 5.700 50 0 JKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c1C ZINC000001076176 194018257 /nfs/dbraw/zinc/01/82/57/194018257.db2.gz JWCKELLNSWIAPT-UHFFFAOYSA-N 0 1 463.386 5.972 50 0 JKAAMN CC[C@@H](C)c1ccc([C@H](CC)NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000001118664 194031948 /nfs/dbraw/zinc/03/19/48/194031948.db2.gz HOWHWLVGOWOWGV-VGSWGCGISA-N 0 1 483.663 5.229 50 0 JKAAMN Cc1ccccc1N1C(=O)NC(=O)[C@](CCc2ccccn2)(Cc2c(Cl)cccc2Cl)C1=O ZINC000001128945 194037978 /nfs/dbraw/zinc/03/79/78/194037978.db2.gz AYGFEUPBGIRWGP-VWLOTQADSA-N 0 1 482.367 5.142 50 0 JKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000001140534 194044389 /nfs/dbraw/zinc/04/43/89/194044389.db2.gz MGKUZHCQQOEGJD-UHFFFAOYSA-N 0 1 491.034 5.579 50 0 JKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001920178 194155663 /nfs/dbraw/zinc/15/56/63/194155663.db2.gz QDLNCDXRGPFFTQ-UHFFFAOYSA-N 0 1 490.195 6.353 50 0 JKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000002986407 194195494 /nfs/dbraw/zinc/19/54/94/194195494.db2.gz QBIOKOMMMVOAFL-UHFFFAOYSA-N 0 1 477.007 5.189 50 0 JKAAMN COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)N(C)C2 ZINC000003124386 194228783 /nfs/dbraw/zinc/22/87/83/194228783.db2.gz JRVRJAICROYIRM-GDLZYMKVSA-N 0 1 465.593 6.582 50 0 JKAAMN COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)N(C)C2 ZINC000003124388 194228939 /nfs/dbraw/zinc/22/89/39/194228939.db2.gz JRVRJAICROYIRM-LJAQVGFWSA-N 0 1 465.593 6.582 50 0 JKAAMN Cc1[nH+]c2c(cc(C)c(C)c2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1Cc1cccc(C)c1 ZINC000003133391 194230131 /nfs/dbraw/zinc/23/01/31/194230131.db2.gz BHDZOHCXLRUXOE-UHFFFAOYSA-N 0 1 453.995 5.772 50 0 JKAAMN CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC000003190272 194236707 /nfs/dbraw/zinc/23/67/07/194236707.db2.gz GRPPLTVZUQVNQK-OAQYLSRUSA-N 0 1 494.503 8.179 50 0 JKAAMN O=C(Nc1cccc(OC(F)F)c1)c1ccccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003188896 194236722 /nfs/dbraw/zinc/23/67/22/194236722.db2.gz NPLNGKVWXSJPCI-UHFFFAOYSA-N 0 1 486.418 5.360 50 0 JKAAMN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000003207488 194239206 /nfs/dbraw/zinc/23/92/06/194239206.db2.gz CWPXGSNPBSXVPD-UHFFFAOYSA-N 0 1 457.285 5.325 50 0 JKAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@@H](c3cccs3)N3CCCC3)cc12 ZINC000003265062 194256212 /nfs/dbraw/zinc/25/62/12/194256212.db2.gz FHVVRMVZRQSQTH-JTSKRJEESA-N 0 1 450.633 5.412 50 0 JKAAMN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)[C@H](c3cccs3)N3CCCC3)cc12 ZINC000003265076 194256223 /nfs/dbraw/zinc/25/62/23/194256223.db2.gz QRDDWUOPKONADD-OPAMFIHVSA-N 0 1 485.078 6.066 50 0 JKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000003299579 194271931 /nfs/dbraw/zinc/27/19/31/194271931.db2.gz IZFCJVXZRWHSER-UHFFFAOYSA-N 0 1 489.391 5.209 50 0 aggregator JKAAMN O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl ZINC000003307015 194275171 /nfs/dbraw/zinc/27/51/71/194275171.db2.gz VYDSCGWHMUQLHO-UHFFFAOYSA-N 0 1 479.360 5.674 50 0 JKAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000003343793 194291811 /nfs/dbraw/zinc/29/18/11/194291811.db2.gz HTXVAISBWYBARE-UHFFFAOYSA-N 0 1 453.313 5.803 50 0 JKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003367931 194304242 /nfs/dbraw/zinc/30/42/42/194304242.db2.gz KWYYAPXXDBEHNR-UHFFFAOYSA-N 0 1 454.310 5.577 50 0 JKAAMN COC(=O)[C@@](NC(=O)Nc1ccc(OC(F)(F)F)cc1)(Nc1cccc(C)c1Cl)C(F)(F)F ZINC000003619698 194341675 /nfs/dbraw/zinc/34/16/75/194341675.db2.gz GXTXXLGHRWRHOC-KRWDZBQOSA-N 0 1 499.795 5.212 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3cccs3)ccc2nc2c1CCCC2 ZINC000003646213 194348821 /nfs/dbraw/zinc/34/88/21/194348821.db2.gz USBOEPRGRUBQSR-FYWRMAATSA-N 0 1 455.583 6.579 50 0 JKAAMN C[C@@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000004403497 194389070 /nfs/dbraw/zinc/38/90/70/194389070.db2.gz WURMTYWJGXZFCH-KRWDZBQOSA-N 0 1 481.961 5.537 50 0 JKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc(N4CCc5ccccc54)s3)CC2)c1 ZINC000009229182 194617255 /nfs/dbraw/zinc/61/72/55/194617255.db2.gz GKPHXNHGIORSPA-UHFFFAOYSA-N 0 1 474.674 5.001 50 0 JKAAMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000009766885 194951163 /nfs/dbraw/zinc/95/11/63/194951163.db2.gz QPGWCVBEAKJPHW-QFIPXVFZSA-N 0 1 479.671 5.354 50 0 JKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009778932 194957142 /nfs/dbraw/zinc/95/71/42/194957142.db2.gz GAAJXLYCXYLDIP-RPWUZVMVSA-N 0 1 474.944 5.272 50 0 JKAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009942079 195029614 /nfs/dbraw/zinc/02/96/14/195029614.db2.gz BUFVQIQSZJPQCC-UHFFFAOYSA-N 0 1 455.400 5.447 50 0 JKAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccc4ccccc4c3)nn2[C@H]1c1cccs1 ZINC000009942695 195030139 /nfs/dbraw/zinc/03/01/39/195030139.db2.gz QJWRYFRVUFGSPZ-NRFANRHFSA-N 0 1 462.600 5.637 50 0 JKAAMN CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000009942813 195030176 /nfs/dbraw/zinc/03/01/76/195030176.db2.gz WZMQVROUNABQFQ-UHFFFAOYSA-N 0 1 455.002 5.664 50 0 JKAAMN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C(C)C)cc1OC ZINC000009959493 195038100 /nfs/dbraw/zinc/03/81/00/195038100.db2.gz RCYOOKRILVDUGW-UHFFFAOYSA-N 0 1 450.583 5.263 50 0 JKAAMN Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000012621099 195056796 /nfs/dbraw/zinc/05/67/96/195056796.db2.gz FQMRNWXBVCPCMC-UHFFFAOYSA-N 0 1 480.442 6.220 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 ZINC000012644192 195073122 /nfs/dbraw/zinc/07/31/22/195073122.db2.gz KJMNZXIHCREPBZ-HXUWFJFHSA-N 0 1 474.445 5.690 50 0 JKAAMN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000012648886 195074973 /nfs/dbraw/zinc/07/49/73/195074973.db2.gz YFEDPIUOBDZZCV-UHFFFAOYSA-N 0 1 451.573 5.507 50 0 JKAAMN Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc2o1 ZINC000012730423 195098353 /nfs/dbraw/zinc/09/83/53/195098353.db2.gz JUWPFMRRVLXFNF-UHFFFAOYSA-N 0 1 476.341 5.496 50 0 JKAAMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000012747274 195103119 /nfs/dbraw/zinc/10/31/19/195103119.db2.gz RIWBIQXCTFHXDY-AREMUKBSSA-N 0 1 496.611 5.123 50 0 JKAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)n2)o1 ZINC000012842058 195151498 /nfs/dbraw/zinc/15/14/98/195151498.db2.gz SXNWDSJACYGWDY-PKNBQFBNSA-N 0 1 481.002 6.452 50 0 JKAAMN COc1ccc2nc(SCC(=O)Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)[nH]c2c1 ZINC000012868391 195162442 /nfs/dbraw/zinc/16/24/42/195162442.db2.gz BIYOOQOSTQULGA-UHFFFAOYSA-N 0 1 490.629 5.457 50 0 JKAAMN O=C1c2ccccc2/C(=C\NC[C@@H](c2ccco2)N2CCCCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000020675764 195200457 /nfs/dbraw/zinc/20/04/57/195200457.db2.gz IHXTVRAGZVAEAN-GRBCXPRBSA-N 0 1 490.003 5.668 50 0 JKAAMN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020729638 195209510 /nfs/dbraw/zinc/20/95/10/195209510.db2.gz FBMTVBKUBIJDPY-DEOSSOPVSA-N 0 1 478.390 5.027 50 0 JKAAMN CCOc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)ccc1OC ZINC000020778863 195224162 /nfs/dbraw/zinc/22/41/62/195224162.db2.gz UKJAHWDQKHJYSV-VWLOTQADSA-N 0 1 480.612 5.993 50 0 JKAAMN CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020893107 195237937 /nfs/dbraw/zinc/23/79/37/195237937.db2.gz UFGKRWDJZSGOAO-UHFFFAOYSA-N 0 1 481.644 5.325 50 0 JKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931360 195251480 /nfs/dbraw/zinc/25/14/80/195251480.db2.gz DKUALUKTDHQPAZ-UHFFFAOYSA-N 0 1 488.122 5.197 50 0 JKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000021149599 195282179 /nfs/dbraw/zinc/28/21/79/195282179.db2.gz BKEXTKDQLLWLLE-UHFFFAOYSA-N 0 1 480.476 5.651 50 0 JKAAMN Cc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150439 195282398 /nfs/dbraw/zinc/28/23/98/195282398.db2.gz NFFHAXOIIXTTAE-UHFFFAOYSA-N 0 1 485.941 5.699 50 0 JKAAMN O=S(=O)(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1Cl ZINC000021357458 195297858 /nfs/dbraw/zinc/29/78/58/195297858.db2.gz ABMFHDUMQHINRI-UHFFFAOYSA-N 0 1 488.012 6.265 50 0 JKAAMN CCCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc2ccccc21 ZINC000021357448 195297894 /nfs/dbraw/zinc/29/78/94/195297894.db2.gz POMLDPWRGHOIIM-UHFFFAOYSA-N 0 1 490.629 5.299 50 0 JKAAMN Cc1ccc2[nH]c(C(=O)N3CCN(C4CCCCC4)CC3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000021362233 195299191 /nfs/dbraw/zinc/29/91/91/195299191.db2.gz DERNBJJLPYOAFC-UHFFFAOYSA-N 0 1 458.606 5.128 50 0 JKAAMN COc1ccc(-c2ocnc2C(=O)Nc2ccccc2-c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000021362606 195299493 /nfs/dbraw/zinc/29/94/93/195299493.db2.gz VHCFMQYYFNBQQH-UHFFFAOYSA-N 0 1 454.486 5.463 50 0 JKAAMN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCN(CCc3ccccc3)Cc3ccco3)c2c1 ZINC000021934855 195336285 /nfs/dbraw/zinc/33/62/85/195336285.db2.gz XKGBDAALVGICJU-UHFFFAOYSA-N 0 1 490.607 5.673 50 0 JKAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000058557871 195380259 /nfs/dbraw/zinc/38/02/59/195380259.db2.gz SHRKGYLXTVODIA-UHFFFAOYSA-N 0 1 482.028 5.227 50 0 JKAAMN CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CCN(CC)CC2)cc1 ZINC000038546545 128754383 /nfs/dbraw/zinc/75/43/83/128754383.db2.gz IZQWLPLKXOJREE-XMMPIXPASA-N 0 1 467.635 5.281 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000096265975 130003830 /nfs/dbraw/zinc/00/38/30/130003830.db2.gz FBAIPQCDWWZLJL-UHFFFAOYSA-N 0 1 487.647 5.857 50 0 JKAAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000102794816 130305633 /nfs/dbraw/zinc/30/56/33/130305633.db2.gz ULAXMDVHJOMESA-DFXYEROKSA-N 0 1 483.612 7.086 50 0 JKAAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000102794815 130305659 /nfs/dbraw/zinc/30/56/59/130305659.db2.gz ULAXMDVHJOMESA-JRPXNJEYSA-N 0 1 483.612 7.086 50 0 JKAAMN CCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000102860915 130331903 /nfs/dbraw/zinc/33/19/03/130331903.db2.gz QPHKOJKUWWYELD-GDLZYMKVSA-N 0 1 480.608 7.582 50 0 JKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2cccc(F)c2)C1 ZINC000102865219 130337802 /nfs/dbraw/zinc/33/78/02/130337802.db2.gz MAUGKIISWPSVJD-NDEPHWFRSA-N 0 1 454.545 6.861 50 0 JKAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)cc1 ZINC000065008797 518386599 /nfs/dbraw/zinc/38/65/99/518386599.db2.gz YRAYLHREAVOZES-UHFFFAOYSA-N 0 1 469.563 5.267 50 0 JKAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc1 ZINC000065008643 518386869 /nfs/dbraw/zinc/38/68/69/518386869.db2.gz CFUHXWPYAUQXEE-UHFFFAOYSA-N 0 1 451.573 5.127 50 0 JKAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146002 518878205 /nfs/dbraw/zinc/87/82/05/518878205.db2.gz MHCBUJYEERBCBT-YADHBBJMSA-N 0 1 465.421 5.165 50 0 JKAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146083 518878337 /nfs/dbraw/zinc/87/83/37/518878337.db2.gz KBTBSKVYDLDWMJ-UXHICEINSA-N 0 1 465.421 5.165 50 0 JKAAMN CC(C)(C)OC[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146148 518878769 /nfs/dbraw/zinc/87/87/69/518878769.db2.gz CNSZBAYEQWELNK-YADHBBJMSA-N 0 1 482.518 5.016 50 0 JKAAMN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146375 518879218 /nfs/dbraw/zinc/87/92/18/518879218.db2.gz SWNZNXGTFRGEGF-PMACEKPBSA-N 0 1 483.411 5.304 50 0 JKAAMN CC(C)(C)c1ccc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020479764 519053238 /nfs/dbraw/zinc/05/32/38/519053238.db2.gz DNINNVOTBULGEV-UHFFFAOYSA-N 0 1 466.625 5.998 50 0 JKAAMN CC(C)(C)c1csc(-c2csc(S(=O)(=O)Nc3ccc(Br)cc3F)c2)n1 ZINC000033297777 519077923 /nfs/dbraw/zinc/07/79/23/519077923.db2.gz GGLUJMSRLWKTAK-UHFFFAOYSA-N 0 1 475.430 5.872 50 0 JKAAMN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]CCN(CC(C)C)CC(C)C)c2C(=O)[O-])cc1 ZINC000020379395 519318642 /nfs/dbraw/zinc/31/86/42/519318642.db2.gz RSEXNKIMXGEIKP-UHFFFAOYSA-N 0 1 461.650 5.734 50 0 JKAAMN CC(C)COC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146081 519755695 /nfs/dbraw/zinc/75/56/95/519755695.db2.gz UKEDXPVJNPBQBJ-SFTDATJTSA-N 0 1 465.421 5.022 50 0 JKAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146001 519755883 /nfs/dbraw/zinc/75/58/83/519755883.db2.gz OYUIYUCASGMLEV-GOTSBHOMSA-N 0 1 465.421 5.022 50 0 JKAAMN CC(C)COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145998 519757355 /nfs/dbraw/zinc/75/73/55/519757355.db2.gz OYUIYUCASGMLEV-PKTZIBPZSA-N 0 1 465.421 5.022 50 0 JKAAMN CCCC(=O)OC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304930 519881414 /nfs/dbraw/zinc/88/14/14/519881414.db2.gz FUACBYCEQYVUGZ-RUZDIDTESA-N 0 1 491.632 5.198 50 0 JKAAMN CCN(C(=S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1)c1ccc(F)cc1 ZINC000020153610 520131397 /nfs/dbraw/zinc/13/13/97/520131397.db2.gz BGXPSGNQPUYAOG-UHFFFAOYSA-N 0 1 451.615 5.048 50 0 JKAAMN CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC ZINC000036301867 520798288 /nfs/dbraw/zinc/79/82/88/520798288.db2.gz GADBUFCEOQPMDH-JOCHJYFZSA-N 0 1 472.029 6.008 50 0 JKAAMN CCOc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008594697 520812874 /nfs/dbraw/zinc/81/28/74/520812874.db2.gz NZVNSDSVFIWZBX-UHFFFAOYSA-N 0 1 491.544 5.741 50 0 JKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000033428983 520893094 /nfs/dbraw/zinc/89/30/94/520893094.db2.gz MIEOGAKZEZQIJG-XRKRLSELSA-N 0 1 485.031 5.304 50 0 biogenic JKAAMN CCCC[C@@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C1CC1 ZINC000034835604 521012734 /nfs/dbraw/zinc/01/27/34/521012734.db2.gz KTMZOPGVZKKJEN-JOCHJYFZSA-N 0 1 483.676 5.169 50 0 JKAAMN CC1CCN(Cc2nnc(-c3cn(CC(=O)Nc4cccc(C(F)(F)F)c4)c4ccccc34)o2)CC1 ZINC000033129351 521026968 /nfs/dbraw/zinc/02/69/68/521026968.db2.gz KBZMQAWOWXVUDF-UHFFFAOYSA-N 0 1 497.521 5.581 50 0 JKAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)CC)cc2)c1 ZINC000033297954 521170520 /nfs/dbraw/zinc/17/05/20/521170520.db2.gz SFSJCBNDRGNQQW-UVTDQMKNSA-N 0 1 499.589 5.100 50 0 JKAAMN CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303346 521181449 /nfs/dbraw/zinc/18/14/49/521181449.db2.gz UCMCFJQZOASXSF-QFIPXVFZSA-N 0 1 479.621 5.370 50 0 JKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845560 521248167 /nfs/dbraw/zinc/24/81/67/521248167.db2.gz XDFMTYBICMWLNX-MUUNZHRXSA-N 0 1 497.595 5.594 50 0 JKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000008606622 521249044 /nfs/dbraw/zinc/24/90/44/521249044.db2.gz ADEJAQBPZYUDSQ-HHHXNRCGSA-N 0 1 484.556 5.029 50 0 JKAAMN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)c1ccccc21 ZINC000002060569 521402998 /nfs/dbraw/zinc/40/29/98/521402998.db2.gz XHBCSXXOFIKOBI-UHFFFAOYSA-N 0 1 459.523 6.025 50 0 JKAAMN CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 ZINC000019926675 521511311 /nfs/dbraw/zinc/51/13/11/521511311.db2.gz OSOQNKRIEMDCLK-JOCHJYFZSA-N 0 1 461.543 5.220 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912780 521584760 /nfs/dbraw/zinc/58/47/60/521584760.db2.gz ZLPRBFVIABZMHK-UHFFFAOYSA-N 0 1 497.108 6.023 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036304851 521679325 /nfs/dbraw/zinc/67/93/25/521679325.db2.gz TZBXYKLZDCHVBD-NDEPHWFRSA-N 0 1 499.655 6.071 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036304549 521679461 /nfs/dbraw/zinc/67/94/61/521679461.db2.gz QZXBQCCMGJCDFW-XMMPIXPASA-N 0 1 481.637 5.227 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036304160 521679562 /nfs/dbraw/zinc/67/95/62/521679562.db2.gz OHJMDRZMLBSQIP-QFIPXVFZSA-N 0 1 473.564 5.249 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036316424 521679917 /nfs/dbraw/zinc/67/99/17/521679917.db2.gz OEIVMPKBYHQLTR-QHCPKHFHSA-N 0 1 481.637 5.234 50 0 JKAAMN CCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000036203126 521682687 /nfs/dbraw/zinc/68/26/87/521682687.db2.gz DYQVTPQYAWKWOM-UHFFFAOYSA-N 0 1 489.587 6.132 50 0 JKAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(-c5ccco5)nc5ccccc54)ccc3n2)CC1 ZINC000033084653 521696320 /nfs/dbraw/zinc/69/63/20/521696320.db2.gz MQFQTBXEUJNRNF-UHFFFAOYSA-N 0 1 491.595 5.746 50 0 JKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008606566 521701629 /nfs/dbraw/zinc/70/16/29/521701629.db2.gz NUCXVJZXJIIXHI-MHZLTWQESA-N 0 1 469.541 5.325 50 0 aggregator JKAAMN CCCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016448749 521701947 /nfs/dbraw/zinc/70/19/47/521701947.db2.gz HQIWFTKDNQTUFP-NDEPHWFRSA-N 0 1 467.569 5.933 50 0 JKAAMN COC(=O)c1c(NCCCN2CCN(c3cc(C)ccc3C)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914205 521774305 /nfs/dbraw/zinc/77/43/05/521774305.db2.gz LPHNURDGNUWFPR-UHFFFAOYSA-N 0 1 483.012 5.023 50 0 JKAAMN CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)n1 ZINC000009431799 521787347 /nfs/dbraw/zinc/78/73/47/521787347.db2.gz CBZDGPNAMGWLOY-UHFFFAOYSA-N 0 1 466.950 5.801 50 0 JKAAMN CC[C@@H](C)[N@@H+](CCNCc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-])C1CCCCC1 ZINC000020379403 522089001 /nfs/dbraw/zinc/08/90/01/522089001.db2.gz XYVSNVQRVYLDCY-HSZRJFAPSA-N 0 1 475.677 6.219 50 0 JKAAMN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022836251 522436799 /nfs/dbraw/zinc/43/67/99/522436799.db2.gz WARWMTJSACPRBM-SQHAQQRYSA-N 0 1 458.646 5.347 50 0 JKAAMN COc1cc(CN[C@@H]2CCOc3ccccc32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000025357265 522482384 /nfs/dbraw/zinc/48/23/84/522482384.db2.gz HPNCARURVSEURN-OAQYLSRUSA-N 0 1 470.928 5.119 50 0 JKAAMN CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854725 522536837 /nfs/dbraw/zinc/53/68/37/522536837.db2.gz UBFVTSQPICMNPL-DEOSSOPVSA-N 0 1 475.662 5.089 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036302764 522642539 /nfs/dbraw/zinc/64/25/39/522642539.db2.gz BWKWLRWURJHHOR-SANMLTNESA-N 0 1 497.639 5.804 50 0 JKAAMN COc1cc(OC)c(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000015685422 522784601 /nfs/dbraw/zinc/78/46/01/522784601.db2.gz ZGYDNDFNICSKSI-UHFFFAOYSA-N 0 1 494.616 7.588 50 0 JKAAMN COC(=O)C1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023336190 522912949 /nfs/dbraw/zinc/91/29/49/522912949.db2.gz MOMMQPHHNGMBLV-UHFFFAOYSA-N 0 1 458.345 5.076 50 0 JKAAMN COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3CCN(c4ccccc4)CC3)c(C)c2O)cc1 ZINC000047284531 523076585 /nfs/dbraw/zinc/07/65/85/523076585.db2.gz NYKVZZGALJPHQD-UHFFFAOYSA-N 0 1 498.627 5.276 50 0 JKAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000008606717 523188626 /nfs/dbraw/zinc/18/86/26/523188626.db2.gz AMUDVRAMTWWCQH-UHFFFAOYSA-N 0 1 455.002 5.267 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000008595056 523223585 /nfs/dbraw/zinc/22/35/85/523223585.db2.gz GXAUJAPTGWGQGX-UHFFFAOYSA-N 0 1 451.592 5.220 50 0 JKAAMN COCCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)s1 ZINC000036154596 523262527 /nfs/dbraw/zinc/26/25/27/523262527.db2.gz SSNAVGJXVZYRMC-UHFFFAOYSA-N 0 1 497.607 6.251 50 0 JKAAMN COCCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(C)s1 ZINC000036154589 523264260 /nfs/dbraw/zinc/26/42/60/523264260.db2.gz JSYKZCVFUPFUSA-UHFFFAOYSA-N 0 1 461.627 5.972 50 0 JKAAMN COCCCN(Cc1ccsc1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202914 523266715 /nfs/dbraw/zinc/26/67/15/523266715.db2.gz GVLKGMHGWYRTHC-UHFFFAOYSA-N 0 1 483.580 5.942 50 0 JKAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016474364 523291851 /nfs/dbraw/zinc/29/18/51/523291851.db2.gz AKGALRDWGWILSX-GDLZYMKVSA-N 0 1 497.595 5.560 50 0 JKAAMN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000012525923 523449066 /nfs/dbraw/zinc/44/90/66/523449066.db2.gz MKWJRMCJBJQFAN-FQEVSTJZSA-N 0 1 470.616 5.016 50 0 JKAAMN CN(c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006135074 523641275 /nfs/dbraw/zinc/64/12/75/523641275.db2.gz ABUONYSPMOTGRI-UHFFFAOYSA-N 0 1 462.358 5.274 50 0 JKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036306930 523734999 /nfs/dbraw/zinc/73/49/99/523734999.db2.gz CIZSQRFGLWIGNO-VWLOTQADSA-N 0 1 489.591 5.071 50 0 JKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036306927 523736248 /nfs/dbraw/zinc/73/62/48/523736248.db2.gz CIZSQRFGLWIGNO-RUZDIDTESA-N 0 1 489.591 5.071 50 0 JKAAMN COCCN(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1C ZINC000036203161 523745872 /nfs/dbraw/zinc/74/58/72/523745872.db2.gz QBIOKZYTXJAOAQ-UHFFFAOYSA-N 0 1 453.629 5.644 50 0 JKAAMN CCc1cc([C@H](c2ccccc2OC)N2CCN(CC)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880729 523843220 /nfs/dbraw/zinc/84/32/20/523843220.db2.gz YWGLFTSQQASXSC-VWLOTQADSA-N 0 1 463.647 5.298 50 0 JKAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000008597591 523859182 /nfs/dbraw/zinc/85/91/82/523859182.db2.gz VXZWGWXTUFWDPR-UHFFFAOYSA-N 0 1 466.025 5.437 50 0 JKAAMN COc1ccc(C2C(=O)C(=O)N(c3nc(SCc4ccccc4)n[nH]3)[C@@H]2c2ccccc2F)cc1 ZINC000045928494 523871507 /nfs/dbraw/zinc/87/15/07/523871507.db2.gz JGUYBCWNVXFGCO-JOCHJYFZSA-N 0 1 488.544 5.302 50 0 JKAAMN CC[C@H](C)N(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1OC ZINC000036167813 523942471 /nfs/dbraw/zinc/94/24/71/523942471.db2.gz BEMGNGWLVLESMJ-IBGZPJMESA-N 0 1 467.656 6.496 50 0 JKAAMN CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CCN(Cc2ccccc2F)CC1 ZINC000012279339 523951707 /nfs/dbraw/zinc/95/17/07/523951707.db2.gz QORXKAMQIRXOEE-XMMPIXPASA-N 0 1 454.973 5.668 50 0 JKAAMN COc1ccc(CN2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c(OC)c1 ZINC000014975660 524024317 /nfs/dbraw/zinc/02/43/17/524024317.db2.gz PQRGCMDELCWZMP-VWLOTQADSA-N 0 1 497.035 5.546 50 0 JKAAMN COc1ccc(CN2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c(OC)c1 ZINC000014975657 524024324 /nfs/dbraw/zinc/02/43/24/524024324.db2.gz PQRGCMDELCWZMP-RUZDIDTESA-N 0 1 497.035 5.546 50 0 JKAAMN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(Cc2ccccc2)CC1 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Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2nc(SC(C)C)ncc2Cl)c1 ZINC000008916970 554811697 /nfs/dbraw/zinc/81/16/97/554811697.db2.gz GPFKCYPUFBDORW-UHFFFAOYSA-N 0 1 480.977 6.190 50 0 JKAAMN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 ZINC000008917156 554811944 /nfs/dbraw/zinc/81/19/44/554811944.db2.gz STNILPOXNJXCJM-UHFFFAOYSA-N 0 1 496.976 5.890 50 0 JKAAMN COc1cc2nc(SCc3ccccc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925840 554821847 /nfs/dbraw/zinc/82/18/47/554821847.db2.gz RPWUPYRVJALKCW-OAQYLSRUSA-N 0 1 463.603 5.566 50 0 JKAAMN COc1cc2nc(SC/C=C/c3ccccc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925855 554822059 /nfs/dbraw/zinc/82/20/59/554822059.db2.gz QDNFGSIFNAPOKT-VTJDKEBTSA-N 0 1 489.641 6.079 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008928049 554825702 /nfs/dbraw/zinc/82/57/02/554825702.db2.gz WGAHODUWFBDLAV-QFIPXVFZSA-N 0 1 453.995 5.787 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000008956102 554837037 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499.785 6.191 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)[nH]n2)c(O)c1C ZINC000009124437 554915522 /nfs/dbraw/zinc/91/55/22/554915522.db2.gz YVUKEPUZACSWJJ-UHFFFAOYSA-N 0 1 451.482 5.629 50 0 JKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009124348 554915537 /nfs/dbraw/zinc/91/55/37/554915537.db2.gz IASRORZCQQNLGF-SANMLTNESA-N 0 1 472.976 6.008 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000009124630 554916099 /nfs/dbraw/zinc/91/60/99/554916099.db2.gz GCGDZCICOPMPCW-AREMUKBSSA-N 0 1 489.959 5.241 50 0 JKAAMN Cc1nc2ccc(NC(=O)CSc3nnc(-c4cc5ccccc5o4)n3-c3ccccc3)cc2[nH]1 ZINC000009189759 554961783 /nfs/dbraw/zinc/96/17/83/554961783.db2.gz RNXKRWUONQVJOR-UHFFFAOYSA-N 0 1 480.553 5.596 50 0 JKAAMN Oc1c2c(c(O)n1-c1cccc(Cl)c1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000009209994 554979353 /nfs/dbraw/zinc/97/93/53/554979353.db2.gz LQZRBGXDTNKSHL-DNVJHFABSA-N 0 1 490.346 5.593 50 0 JKAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)ccc1O ZINC000009216824 554985326 /nfs/dbraw/zinc/98/53/26/554985326.db2.gz JMHDBPOMMQDGLZ-UHFFFAOYSA-N 0 1 470.982 5.353 50 0 JKAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000009222665 554992088 /nfs/dbraw/zinc/99/20/88/554992088.db2.gz XXFYDSXSKNPQOW-UHFFFAOYSA-N 0 1 492.623 5.334 50 0 JKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCc3ccccc32)s1 ZINC000009229172 555003508 /nfs/dbraw/zinc/00/35/08/555003508.db2.gz BXWPDRDJHKEMMU-UHFFFAOYSA-N 0 1 495.092 5.428 50 0 JKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc(N4CCCc5ccccc54)s3)CC2)c1 ZINC000009229176 555003512 /nfs/dbraw/zinc/00/35/12/555003512.db2.gz SITOSLCJTSTJRS-UHFFFAOYSA-N 0 1 488.701 5.391 50 0 JKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000009229190 555003569 /nfs/dbraw/zinc/00/35/69/555003569.db2.gz GUYIIZUORBVWKZ-UHFFFAOYSA-N 0 1 479.049 5.288 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 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/nfs/dbraw/zinc/04/48/53/555044853.db2.gz XYBGFVNCWYDMTH-VWLOTQADSA-N 0 1 469.585 5.240 50 0 JKAAMN COc1cc(OC)c(-c2nc(-c3cc(C)ccc3C)c(-c3ccccc3)[nH]2)cc1Br ZINC000009271952 555044873 /nfs/dbraw/zinc/04/48/73/555044873.db2.gz FLHKDEKKRDYBOV-UHFFFAOYSA-N 0 1 463.375 6.807 50 0 JKAAMN COc1ccc(Cn2c(NS(=O)(=O)c3ccc(Cl)cc3)cc3nc4ccccc4nc32)cc1 ZINC000009282564 555052181 /nfs/dbraw/zinc/05/21/81/555052181.db2.gz SEKGFDCYIJSWRB-UHFFFAOYSA-N 0 1 478.961 5.096 50 0 JKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000009290542 555064926 /nfs/dbraw/zinc/06/49/26/555064926.db2.gz AINFAIUKXTUSAE-SVYISMGTSA-N 0 1 490.603 5.510 50 0 JKAAMN c1ccc2c(c1)CCC[C@H]2N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000009291445 555066031 /nfs/dbraw/zinc/06/60/31/555066031.db2.gz FMOLZDMHNHMWGD-SXOMAYOGSA-N 0 1 450.586 5.495 50 0 JKAAMN c1ccc2c(c1)CCC[C@@H]2N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000009292248 555067366 /nfs/dbraw/zinc/06/73/66/555067366.db2.gz XVPXUUXMIRFENY-SVBPBHIXSA-N 0 1 450.586 5.495 50 0 JKAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 ZINC000009330687 555100869 /nfs/dbraw/zinc/10/08/69/555100869.db2.gz SZDKSEFMUCSROA-GDLZYMKVSA-N 0 1 459.593 6.376 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000009337541 555105387 /nfs/dbraw/zinc/10/53/87/555105387.db2.gz HWKTXRSIWGKYKL-UHFFFAOYSA-N 0 1 488.565 5.181 50 0 JKAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000009349173 555115727 /nfs/dbraw/zinc/11/57/27/555115727.db2.gz DSHOWXAZNURITN-QFIPXVFZSA-N 0 1 466.415 5.084 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000009354769 555119180 /nfs/dbraw/zinc/11/91/80/555119180.db2.gz UQJJQQZAROGRLZ-UHFFFAOYSA-N 0 1 457.964 5.311 50 0 JKAAMN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)s1 ZINC000009358387 555122689 /nfs/dbraw/zinc/12/26/89/555122689.db2.gz WBFRZEVLFIKYAJ-OAQYLSRUSA-N 0 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JKAAMN CCc1ccc(NC(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000013349160 555379146 /nfs/dbraw/zinc/37/91/46/555379146.db2.gz FFEVLCQHJAPNGN-UHFFFAOYSA-N 0 1 480.615 5.920 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Nc4ccc(Cl)cc4)cc3C)s2)cc1 ZINC000013349165 555379304 /nfs/dbraw/zinc/37/93/04/555379304.db2.gz OGESUJAKAWPPEN-UHFFFAOYSA-N 0 1 487.006 6.011 50 0 JKAAMN COc1cccc(NC(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000013349144 555379309 /nfs/dbraw/zinc/37/93/09/555379309.db2.gz PZCULGRSTYRUIP-UHFFFAOYSA-N 0 1 482.587 5.367 50 0 JKAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)c1 ZINC000013359132 555385220 /nfs/dbraw/zinc/38/52/20/555385220.db2.gz SEQSWNGWKFRUIJ-UHFFFAOYSA-N 0 1 450.516 5.135 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2oc3c(cccc3F)c2C)c1 ZINC000009671803 555392316 /nfs/dbraw/zinc/39/23/16/555392316.db2.gz XTJXHAIBICFAJM-UHFFFAOYSA-N 0 1 468.506 5.250 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)cc1OC 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Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCc2ccc(C)cc2)CC1 ZINC000009731805 555468914 /nfs/dbraw/zinc/46/89/14/555468914.db2.gz ZJNFFYMZYKELES-UHFFFAOYSA-N 0 1 451.998 5.183 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000013539900 555488718 /nfs/dbraw/zinc/48/87/18/555488718.db2.gz TYDRRGTWWPAPPP-QFIPXVFZSA-N 0 1 491.942 5.620 50 0 JKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccc(Cl)cc3Cl)c2c1 ZINC000013550686 555491560 /nfs/dbraw/zinc/49/15/60/555491560.db2.gz HPJHBNIIVHKESP-QFIPXVFZSA-N 0 1 455.345 5.303 50 0 JKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000009778249 555496770 /nfs/dbraw/zinc/49/67/70/555496770.db2.gz CBTBEESYMVPBBR-DQEYMECFSA-N 0 1 472.516 5.066 50 0 JKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000009778251 555496786 /nfs/dbraw/zinc/49/67/86/555496786.db2.gz CBTBEESYMVPBBR-JWQCQUIFSA-N 0 1 472.516 5.066 50 0 JKAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 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ZOUGOLHBYQGRSX-UHFFFAOYSA-N 0 1 479.385 5.374 50 0 JKAAMN COc1ccc(OCCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000012546642 556022884 /nfs/dbraw/zinc/02/28/84/556022884.db2.gz ZZNZJMLSJUVMTM-UHFFFAOYSA-N 0 1 488.993 5.174 50 0 JKAAMN Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1C ZINC000023182384 556028788 /nfs/dbraw/zinc/02/87/88/556028788.db2.gz XCYJSGVPIHWUHR-OFVILXPXSA-N 0 1 464.704 5.603 50 0 JKAAMN Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1C ZINC000023182378 556028814 /nfs/dbraw/zinc/02/88/14/556028814.db2.gz XCYJSGVPIHWUHR-SQJMNOBHSA-N 0 1 464.704 5.603 50 0 JKAAMN COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCC(C)CC2)c1OC ZINC000015859359 556029425 /nfs/dbraw/zinc/02/94/25/556029425.db2.gz HMJMROVORHCBJP-RUZDIDTESA-N 0 1 474.557 6.117 50 0 JKAAMN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000015859401 556029720 /nfs/dbraw/zinc/02/97/20/556029720.db2.gz OYNAYCQHXPMWAY-DEOSSOPVSA-N 0 1 465.018 7.221 50 0 JKAAMN Cc1noc(C)c1COc1cccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000023188101 556029798 /nfs/dbraw/zinc/02/97/98/556029798.db2.gz UWJPMQMUJNYJKV-UHFFFAOYSA-N 0 1 487.522 5.237 50 0 JKAAMN COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCCCC2)c1OC ZINC000015859550 556030470 /nfs/dbraw/zinc/03/04/70/556030470.db2.gz XJCOCEXVNXANMP-SANMLTNESA-N 0 1 470.569 6.278 50 0 JKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccc(F)c2)N2CCC(C)CC2)cc1 ZINC000015859595 556030784 /nfs/dbraw/zinc/03/07/84/556030784.db2.gz CADOFPISYVRGGT-MHZLTWQESA-N 0 1 456.561 6.954 50 0 JKAAMN COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCC(C)CC2)c1 ZINC000015859626 556030993 /nfs/dbraw/zinc/03/09/93/556030993.db2.gz FKIKGEBAWVPLFA-LJAQVGFWSA-N 0 1 498.623 6.832 50 0 JKAAMN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)c2cccs2)CC1 ZINC000015859996 556031803 /nfs/dbraw/zinc/03/18/03/556031803.db2.gz HVPCEGPDCUDRGM-IBGZPJMESA-N 0 1 474.424 5.369 50 0 JKAAMN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCC(C)CC2)o1 ZINC000015860534 556031823 /nfs/dbraw/zinc/03/18/23/556031823.db2.gz LOWGUJLAQGCWFP-HXUWFJFHSA-N 0 1 472.383 5.209 50 0 JKAAMN O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023224670 556032372 /nfs/dbraw/zinc/03/23/72/556032372.db2.gz BABYPAJKOFFITR-ATVSQVCMSA-N 0 1 481.080 5.370 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4cccc(C)c4)cc3C)s2)cc1 ZINC000015862033 556034561 /nfs/dbraw/zinc/03/45/61/556034561.db2.gz FRSJKWIMEISKJK-UHFFFAOYSA-N 0 1 451.573 5.275 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)CCc4ccccc4)cc3C)s2)cc1 ZINC000015862040 556034699 /nfs/dbraw/zinc/03/46/99/556034699.db2.gz JCYRGQSDGXKWMW-UHFFFAOYSA-N 0 1 465.600 5.285 50 0 JKAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000015863649 556038184 /nfs/dbraw/zinc/03/81/84/556038184.db2.gz GIFXXLXBLNPVFG-UHFFFAOYSA-N 0 1 463.541 5.098 50 0 JKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(OC(C)C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864879 556040758 /nfs/dbraw/zinc/04/07/58/556040758.db2.gz WVPIZLWGHPQIJI-MUUNZHRXSA-N 0 1 486.681 7.517 50 0 JKAAMN Cc1c(C(=O)CN2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c2ccccc2n1C ZINC000015864840 556040809 /nfs/dbraw/zinc/04/08/09/556040809.db2.gz HFMHONRJQYQYBX-MUUNZHRXSA-N 0 1 454.639 6.257 50 0 JKAAMN CCOc1ccc2oc(=O)cc(CN3CCc4c5c(sc4[C@H]3c3ccccc3)CCCC5)c2c1 ZINC000015864838 556040841 /nfs/dbraw/zinc/04/08/41/556040841.db2.gz UNHYTTNXBPFFMZ-MUUNZHRXSA-N 0 1 471.622 6.280 50 0 JKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(OC)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864860 556040893 /nfs/dbraw/zinc/04/08/93/556040893.db2.gz SDPSDGFQEZEEIQ-SANMLTNESA-N 0 1 458.627 6.739 50 0 JKAAMN CCN1CCN([P@](=Nc2ccc(F)cc2)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559144 556049620 /nfs/dbraw/zinc/04/96/20/556049620.db2.gz XEIGHXUMSINSAT-UUWRZZSWSA-N 0 1 481.600 6.137 50 0 JKAAMN CCN1CCN([P@@](=Nc2ccccc2Cl)(c2c(C)cn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559151 556049627 /nfs/dbraw/zinc/04/96/27/556049627.db2.gz QABVASJZRRORDZ-UMSFTDKQSA-N 0 1 497.067 7.257 50 0 JKAAMN COc1ccccc1N1CCN(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012564987 556061554 /nfs/dbraw/zinc/06/15/54/556061554.db2.gz VCTYYTHBOVEVJS-UHFFFAOYSA-N 0 1 462.981 5.057 50 0 JKAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000015911037 556064923 /nfs/dbraw/zinc/06/49/23/556064923.db2.gz HBFUBWWSYVYXFF-UHFFFAOYSA-N 0 1 488.837 5.015 50 0 JKAAMN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)cc1 ZINC000023453698 556067180 /nfs/dbraw/zinc/06/71/80/556067180.db2.gz INYNJVSYHIWTGB-UHFFFAOYSA-N 0 1 452.341 5.989 50 0 JKAAMN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023454364 556067375 /nfs/dbraw/zinc/06/73/75/556067375.db2.gz NEZBXUBOCTVDAB-UHFFFAOYSA-N 0 1 456.760 6.634 50 0 JKAAMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023456333 556069112 /nfs/dbraw/zinc/06/91/12/556069112.db2.gz YFFOEZANOBLUMT-QHCPKHFHSA-N 0 1 478.640 6.485 50 0 JKAAMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000012568752 556069673 /nfs/dbraw/zinc/06/96/73/556069673.db2.gz LSBMPOFMRYCBEP-SNVBAGLBSA-N 0 1 482.201 5.116 50 0 JKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCCN(C)c4ccccc4)cc3)n[nH]c1-2 ZINC000023457960 556069962 /nfs/dbraw/zinc/06/99/62/556069962.db2.gz LZZYWGMLORYYAC-UHFFFAOYSA-N 0 1 466.585 5.107 50 0 JKAAMN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023460662 556071738 /nfs/dbraw/zinc/07/17/38/556071738.db2.gz AWZUZEILHNKTGV-UHFFFAOYSA-N 0 1 466.324 5.709 50 0 JKAAMN Cc1cccc(Cl)c1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023460279 556071844 /nfs/dbraw/zinc/07/18/44/556071844.db2.gz RXVZOLGDZLQRIW-UHFFFAOYSA-N 0 1 470.787 6.942 50 0 JKAAMN Cc1cc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1C(C)C ZINC000023471711 556073823 /nfs/dbraw/zinc/07/38/23/556073823.db2.gz WBZUORWVFTUSPE-HHHXNRCGSA-N 0 1 458.646 5.265 50 0 JKAAMN Cc1ccc(N[P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1Cl ZINC000012575170 556074915 /nfs/dbraw/zinc/07/49/15/556074915.db2.gz UNGBHHTZVNCPFM-XRBXDRSNSA-N 0 1 462.744 8.813 50 0 JKAAMN O=C(NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000012579106 556077670 /nfs/dbraw/zinc/07/76/70/556077670.db2.gz WDVXYCVNBYUZIB-UHFFFAOYSA-N 0 1 498.388 5.060 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)CSc2ccc(C)cc2C)c1 ZINC000012583561 556080940 /nfs/dbraw/zinc/08/09/40/556080940.db2.gz GFVWQVZGERHWDN-UHFFFAOYSA-N 0 1 470.616 5.152 50 0 JKAAMN Cc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015945922 556082158 /nfs/dbraw/zinc/08/21/58/556082158.db2.gz DKFLUQQNXBLKPF-OAQYLSRUSA-N 0 1 489.685 6.188 50 0 JKAAMN CCN(CC)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946076 556082167 /nfs/dbraw/zinc/08/21/67/556082167.db2.gz PVSVSKMOPLOEHD-SFHVURJKSA-N 0 1 455.668 5.740 50 0 JKAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000023657361 556082336 /nfs/dbraw/zinc/08/23/36/556082336.db2.gz MEMOQNFVAAZVPY-UHFFFAOYSA-N 0 1 453.508 5.685 50 0 JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015946379 556082828 /nfs/dbraw/zinc/08/28/28/556082828.db2.gz JFGVMHBIIWVOLQ-HXUWFJFHSA-N 0 1 462.402 6.510 50 0 JKAAMN CC[C@H](c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1Cc1ccccc1)N(C)C ZINC000023845273 556091498 /nfs/dbraw/zinc/09/14/98/556091498.db2.gz IYASERTVCKZGKG-OAQYLSRUSA-N 0 1 477.600 5.583 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000016035508 556118953 /nfs/dbraw/zinc/11/89/53/556118953.db2.gz TXYDPLRNBRCLDD-UHFFFAOYSA-N 0 1 472.994 5.699 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N2CCCC2)cc1 ZINC000012870693 556120919 /nfs/dbraw/zinc/12/09/19/556120919.db2.gz UZBJTGIJVASBQZ-JOCHJYFZSA-N 0 1 484.021 5.229 50 0 JKAAMN COc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c(OC)c1OC ZINC000016115815 556126577 /nfs/dbraw/zinc/12/65/77/556126577.db2.gz VCQGCYGKPVBFGZ-UHFFFAOYSA-N 0 1 465.347 6.199 50 0 JKAAMN COc1ccc(CN(CC(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H](C)Cc2cccs2)cc1 ZINC000012921443 556140214 /nfs/dbraw/zinc/14/02/14/556140214.db2.gz KFSHSPYEWBVSES-INIZCTEOSA-N 0 1 472.994 5.211 50 0 JKAAMN O=C(Nc1ccccc1O)C1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000024835809 556158991 /nfs/dbraw/zinc/15/89/91/556158991.db2.gz AQHYOUSFTNMSQR-AREMUKBSSA-N 0 1 453.542 5.148 50 0 JKAAMN COc1cc2nc(SCc3cccc(F)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951516 556160474 /nfs/dbraw/zinc/16/04/74/556160474.db2.gz MGQGYQJWPAZWMT-NRFANRHFSA-N 0 1 481.593 5.705 50 0 JKAAMN COc1ccc(CSc2nc3cc(OC)c(OC)cc3c3nc(O)c(CC4CCCCC4)n32)cc1 ZINC000012952085 556160481 /nfs/dbraw/zinc/16/04/81/556160481.db2.gz OLQYEFJJSKFMNX-QFIPXVFZSA-N 0 1 493.629 5.575 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCc1ccc(Cl)cc1)=N2 ZINC000012951560 556160490 /nfs/dbraw/zinc/16/04/90/556160490.db2.gz RIORFJAKQPTRME-NRFANRHFSA-N 0 1 492.000 5.492 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SCc1cccc(Cl)c1)=N2 ZINC000012951578 556160498 /nfs/dbraw/zinc/16/04/98/556160498.db2.gz RFFJLQMETKYQEK-OAQYLSRUSA-N 0 1 492.000 5.492 50 0 JKAAMN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000025142717 556181903 /nfs/dbraw/zinc/18/19/03/556181903.db2.gz JAPYDOGQEGQQJB-NDEPHWFRSA-N 0 1 476.624 6.541 50 0 JKAAMN COc1cc(CN(C)C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc(OC)c1OC ZINC000025145430 556184095 /nfs/dbraw/zinc/18/40/95/556184095.db2.gz MYCIWCHOAXAPHN-UHFFFAOYSA-N 0 1 491.975 5.695 50 0 JKAAMN COc1ccc(OC)c(-c2cccc(-c3nc(CN4CCC(Cc5ccccc5)CC4)cs3)c2)c1 ZINC000025148840 556188442 /nfs/dbraw/zinc/18/84/42/556188442.db2.gz ATXAIWASXDMMLL-UHFFFAOYSA-N 0 1 484.665 6.949 50 0 JKAAMN COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957524 556188526 /nfs/dbraw/zinc/18/85/26/556188526.db2.gz PMPAMSURRMCKHB-GEQKSPFYSA-N 0 1 473.520 5.830 50 0 JKAAMN [O-][C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957669 556188847 /nfs/dbraw/zinc/18/88/47/556188847.db2.gz JUNXAMYJJQYKDH-DYVFJYSZSA-N 0 1 460.319 5.580 50 0 JKAAMN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025157464 556197917 /nfs/dbraw/zinc/19/79/17/556197917.db2.gz ZRMMISVGUKKHQG-IZEXYCQBSA-N 0 1 487.603 6.765 50 0 JKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](Cc4ccccc4)c4ccccc4)cc3)[nH]n2)c1 ZINC000025158327 556198257 /nfs/dbraw/zinc/19/82/57/556198257.db2.gz RKMYUMZVRFCEIK-MUUNZHRXSA-N 0 1 473.576 6.466 50 0 JKAAMN Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)c(C)c1 ZINC000017025767 556205104 /nfs/dbraw/zinc/20/51/04/556205104.db2.gz PJEOIAJMWYZABS-UHFFFAOYSA-N 0 1 461.656 6.660 50 0 JKAAMN CC(C)N1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2-c2nc3ccccc3s2)C1 ZINC000017113403 556218388 /nfs/dbraw/zinc/21/83/88/556218388.db2.gz KYOFPCAYPULPNC-UHFFFAOYSA-N 0 1 490.679 6.653 50 0 JKAAMN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)ccc1NC(C)=O ZINC000013040621 556244220 /nfs/dbraw/zinc/24/42/20/556244220.db2.gz 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/nfs/dbraw/zinc/76/65/27/569766527.db2.gz RWDFZHYGTZFTIW-LJAQVGFWSA-N 0 1 469.604 5.767 50 0 JKAAMN CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036343968 569766751 /nfs/dbraw/zinc/76/67/51/569766751.db2.gz PHGOOCGYWCCBLS-SSEXGKCCSA-N 0 1 499.630 5.857 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036344420 569766882 /nfs/dbraw/zinc/76/68/82/569766882.db2.gz RUECOLNZTVKUPB-MHZLTWQESA-N 0 1 481.596 5.048 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344452 569767006 /nfs/dbraw/zinc/76/70/06/569767006.db2.gz GAWRFEOUEOMESI-NDEPHWFRSA-N 0 1 495.623 5.356 50 0 JKAAMN Cc1ccc(C)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036344536 569767086 /nfs/dbraw/zinc/76/70/86/569767086.db2.gz OCHMFVHCIWMEFX-YTTGMZPUSA-N 0 1 493.695 6.553 50 0 JKAAMN Cc1ccc(C)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036344537 569767098 /nfs/dbraw/zinc/76/70/98/569767098.db2.gz OCHMFVHCIWMEFX-JGCGQSQUSA-N 0 1 493.695 6.553 50 0 JKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344636 569767301 /nfs/dbraw/zinc/76/73/01/569767301.db2.gz KCFXXRCXTPMQDJ-HKBQPEDESA-N 0 1 479.668 6.244 50 0 JKAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(Cc3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000036344837 569767408 /nfs/dbraw/zinc/76/74/08/569767408.db2.gz FJEUSDJCFLIZKZ-NDEPHWFRSA-N 0 1 485.603 5.467 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036345030 569767583 /nfs/dbraw/zinc/76/75/83/569767583.db2.gz BNKKTXYGTLIOSJ-MUUNZHRXSA-N 0 1 472.032 5.972 50 0 JKAAMN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345084 569767602 /nfs/dbraw/zinc/76/76/02/569767602.db2.gz BJQGNAWQWFWONI-GDLZYMKVSA-N 0 1 467.613 5.328 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036345811 569768174 /nfs/dbraw/zinc/76/81/74/569768174.db2.gz ARUSUZQLTNXFKK-QHCPKHFHSA-N 0 1 483.628 5.753 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036345804 569768233 /nfs/dbraw/zinc/76/82/33/569768233.db2.gz YKIOGURSZPMEFD-SANMLTNESA-N 0 1 487.619 6.180 50 0 JKAAMN Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036345719 569768245 /nfs/dbraw/zinc/76/82/45/569768245.db2.gz NILVLUBJZKDYER-LJAQVGFWSA-N 0 1 469.604 5.767 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036345860 569768351 /nfs/dbraw/zinc/76/83/51/569768351.db2.gz QJQOCSXJJFYJCF-MHZLTWQESA-N 0 1 469.629 6.095 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036345885 569768366 /nfs/dbraw/zinc/76/83/66/569768366.db2.gz NQFAWKMFSWOFMQ-HHHXNRCGSA-N 0 1 467.613 5.849 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COc1ccccc1 ZINC000036345909 569768545 /nfs/dbraw/zinc/76/85/45/569768545.db2.gz VNIVBPCUODSZHF-SANMLTNESA-N 0 1 485.628 5.933 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036345927 569768597 /nfs/dbraw/zinc/76/85/97/569768597.db2.gz JPOQCYHVNYOBNV-DEOSSOPVSA-N 0 1 465.638 5.669 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036345913 569768709 /nfs/dbraw/zinc/76/87/09/569768709.db2.gz YGDPULJXMZICFJ-DEOSSOPVSA-N 0 1 451.611 5.279 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]34)C2)cc1OC ZINC000100750390 569768840 /nfs/dbraw/zinc/76/88/40/569768840.db2.gz SBSGQJMKZQKZQW-CRYYWNKWSA-N 0 1 452.510 5.881 50 0 biogenic JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346077 569768902 /nfs/dbraw/zinc/76/89/02/569768902.db2.gz DVASJIWXUKAWFB-XMMPIXPASA-N 0 1 481.612 5.502 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346285 569769417 /nfs/dbraw/zinc/76/94/17/569769417.db2.gz WXBUWVQFCBTQFX-XMMPIXPASA-N 0 1 469.601 5.500 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346286 569769461 /nfs/dbraw/zinc/76/94/61/569769461.db2.gz WXBUWVQFCBTQFX-DEOSSOPVSA-N 0 1 469.601 5.500 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036346295 569769501 /nfs/dbraw/zinc/76/95/01/569769501.db2.gz JCIOEHGMKXHTHD-DEOSSOPVSA-N 0 1 469.601 5.356 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346304 569769522 /nfs/dbraw/zinc/76/95/22/569769522.db2.gz CYVGNVBGJNGUTO-HSZRJFAPSA-N 0 1 469.601 5.499 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346378 569769678 /nfs/dbraw/zinc/76/96/78/569769678.db2.gz GQSYXXGXEGPZBG-DEOSSOPVSA-N 0 1 469.601 5.358 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346387 569769789 /nfs/dbraw/zinc/76/97/89/569769789.db2.gz UCBXMSVTXDQIPK-HSZRJFAPSA-N 0 1 469.601 5.500 50 0 JKAAMN CCOC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346506 569769881 /nfs/dbraw/zinc/76/98/81/569769881.db2.gz YLMCPTUNPNTTKO-DEOSSOPVSA-N 0 1 493.648 5.406 50 0 JKAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346524 569769902 /nfs/dbraw/zinc/76/99/02/569769902.db2.gz ZCQMRZGJTJRQSN-HSZRJFAPSA-N 0 1 451.611 5.143 50 0 JKAAMN CCC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346483 569769935 /nfs/dbraw/zinc/76/99/35/569769935.db2.gz KPJCHFIJAJZBAX-QHCPKHFHSA-N 0 1 463.622 5.922 50 0 JKAAMN COc1ccc(-n2nc(C(C)C)c(CN(C[C@@H](O)c3ccccc3)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346466 569769942 /nfs/dbraw/zinc/76/99/42/569769942.db2.gz QFGMBDQQAIUTDB-GDLZYMKVSA-N 0 1 499.655 6.741 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346583 569770107 /nfs/dbraw/zinc/77/01/07/569770107.db2.gz RGKSDTJGUZXISN-QFIPXVFZSA-N 0 1 487.591 5.638 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346546 569770113 /nfs/dbraw/zinc/77/01/13/569770113.db2.gz VBKOQMQWZPXCRQ-VWLOTQADSA-N 0 1 491.676 5.923 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036346600 569770176 /nfs/dbraw/zinc/77/01/76/569770176.db2.gz VUIHSRJMZAVYKX-HSZRJFAPSA-N 0 1 487.591 5.497 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346584 569770182 /nfs/dbraw/zinc/77/01/82/569770182.db2.gz RGKSDTJGUZXISN-JOCHJYFZSA-N 0 1 487.591 5.638 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036346581 569770186 /nfs/dbraw/zinc/77/01/86/569770186.db2.gz IGQZITKTLQFPEA-QHCPKHFHSA-N 0 1 487.591 5.495 50 0 JKAAMN CCCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346616 569770289 /nfs/dbraw/zinc/77/02/89/569770289.db2.gz ZRHGXEHGWCLBFK-JOCHJYFZSA-N 0 1 457.565 6.014 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346639 569770301 /nfs/dbraw/zinc/77/03/01/569770301.db2.gz 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554153831 /nfs/dbraw/zinc/15/38/31/554153831.db2.gz WFTTWZDHABJESQ-DEOSSOPVSA-N 0 1 451.397 7.375 50 0 JKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000002631003 554253174 /nfs/dbraw/zinc/25/31/74/554253174.db2.gz NZKRCCJYSRODOP-UHFFFAOYSA-N 0 1 473.440 6.212 50 0 JKAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCCC5=CCCCC5)cc4)c3=O)c2c1 ZINC000002687901 554283743 /nfs/dbraw/zinc/28/37/43/554283743.db2.gz LJLCSZQMRGZWFP-UHFFFAOYSA-N 0 1 488.613 5.218 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000002699371 554293893 /nfs/dbraw/zinc/29/38/93/554293893.db2.gz KATWBZHGVSBFRT-UHFFFAOYSA-N 0 1 484.577 5.588 50 0 JKAAMN Cc1ccc2c(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)sc2c1 ZINC000002763822 554332935 /nfs/dbraw/zinc/33/29/35/554332935.db2.gz DULZMICEFLKENB-UHFFFAOYSA-N 0 1 472.979 5.015 50 0 JKAAMN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)c(OC)c1 ZINC000002768650 554335045 /nfs/dbraw/zinc/33/50/45/554335045.db2.gz 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554510396 /nfs/dbraw/zinc/51/03/96/554510396.db2.gz ZFYUZURTCIFTLZ-UHFFFAOYSA-N 0 1 473.392 5.626 50 0 JKAAMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147217 554510749 /nfs/dbraw/zinc/51/07/49/554510749.db2.gz XZGFBHLBTCCFIC-UHFFFAOYSA-N 0 1 462.502 5.671 50 0 JKAAMN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147219 554510782 /nfs/dbraw/zinc/51/07/82/554510782.db2.gz VTAUTWIBYCFJBS-UHFFFAOYSA-N 0 1 462.502 5.671 50 0 JKAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006146639 554510822 /nfs/dbraw/zinc/51/08/22/554510822.db2.gz FWHDDCBHYQFCRK-UHFFFAOYSA-N 0 1 490.556 5.766 50 0 JKAAMN Cc1ccc(NC(=O)CS(=O)(=O)c2[nH]c(-c3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000006150557 554511748 /nfs/dbraw/zinc/51/17/48/554511748.db2.gz LTFOKYOVKQHKHW-UHFFFAOYSA-N 0 1 465.962 5.118 50 0 JKAAMN CCOC(=O)c1c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2oc1-c1ccccc1 ZINC000008438950 554590094 /nfs/dbraw/zinc/59/00/94/554590094.db2.gz WPKHYVDDVILRNZ-UHFFFAOYSA-N 0 1 490.364 6.384 50 0 JKAAMN COC(=O)c1c2cc(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2oc1C(C)(C)C ZINC000008439212 554590590 /nfs/dbraw/zinc/59/05/90/554590590.db2.gz JSZLXQTUEZWSQW-UHFFFAOYSA-N 0 1 487.577 6.624 50 0 JKAAMN CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000008439224 554590615 /nfs/dbraw/zinc/59/06/15/554590615.db2.gz URVZODXXLXOZDA-UHFFFAOYSA-N 0 1 456.347 5.806 50 0 JKAAMN N=C(Nc1ccc(-c2ccccc2)cc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000008770987 554671000 /nfs/dbraw/zinc/67/10/00/554671000.db2.gz HVJGIPVFLVETSF-UHFFFAOYSA-N 0 1 484.610 5.798 50 0 JKAAMN COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000008790569 554683808 /nfs/dbraw/zinc/68/38/08/554683808.db2.gz DIZRVTJKTGQHJC-QLNNSXCMSA-N 0 1 479.617 5.613 50 0 biogenic JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccccc2F)cc1 ZINC000008845170 554741762 /nfs/dbraw/zinc/74/17/62/554741762.db2.gz VPVZJFQMADAAFG-SANMLTNESA-N 0 1 491.950 5.680 50 0 JKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000008845216 554741795 /nfs/dbraw/zinc/74/17/95/554741795.db2.gz PXBRNVLAKSZVPN-SANMLTNESA-N 0 1 489.959 5.512 50 0 JKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2ccc(F)cc2)C3=O)cc1Cl ZINC000008845383 554742265 /nfs/dbraw/zinc/74/22/65/554742265.db2.gz XRFRYKQKWOXEPQ-XMMPIXPASA-N 0 1 463.896 5.334 50 0 JKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845509 554742935 /nfs/dbraw/zinc/74/29/35/554742935.db2.gz NLGVXRSWLNJJRJ-MUUNZHRXSA-N 0 1 481.596 5.758 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008845526 554743099 /nfs/dbraw/zinc/74/30/99/554743099.db2.gz XZPMYBVHQIJJNB-SANMLTNESA-N 0 1 487.987 5.849 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008845525 554743129 /nfs/dbraw/zinc/74/31/29/554743129.db2.gz XZPMYBVHQIJJNB-AREMUKBSSA-N 0 1 487.987 5.849 50 0 JKAAMN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)cc3O)n[nH]2)c1 ZINC000008845645 554743422 /nfs/dbraw/zinc/74/34/22/554743422.db2.gz AWHZGKSGZLNBBO-UHFFFAOYSA-N 0 1 466.497 5.650 50 0 JKAAMN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845787 554743672 /nfs/dbraw/zinc/74/36/72/554743672.db2.gz ILSHYJYNZFWGAJ-NDEPHWFRSA-N 0 1 451.570 6.002 50 0 JKAAMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000008850663 554747662 /nfs/dbraw/zinc/74/76/62/554747662.db2.gz PCYBRVUHBRZYKU-UHFFFAOYSA-N 0 1 479.411 6.338 50 0 JKAAMN Brc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000008854014 554749750 /nfs/dbraw/zinc/74/97/50/554749750.db2.gz BDKRFAJYXWZKAO-UHFFFAOYSA-N 0 1 483.434 8.324 50 0 JKAAMN FC(F)(F)c1cccc(CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)c1 ZINC000008855329 554750993 /nfs/dbraw/zinc/75/09/93/554750993.db2.gz IDOVNQSYGBYHGV-UHFFFAOYSA-N 0 1 454.323 6.782 50 0 JKAAMN O=C(C[C@H](NC(=O)C(F)(F)F)c1ccc(Cl)cc1)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000008857267 554753627 /nfs/dbraw/zinc/75/36/27/554753627.db2.gz KASLOVBYQNWTCJ-IBGZPJMESA-N 0 1 486.881 5.403 50 0 JKAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 ZINC000008897419 554787517 /nfs/dbraw/zinc/78/75/17/554787517.db2.gz LPEJZWCGIBFRSF-UHFFFAOYSA-N 0 1 486.597 5.301 50 0 JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008923397 554820381 /nfs/dbraw/zinc/82/03/81/554820381.db2.gz FHELRMVYYXGKEB-FQEVSTJZSA-N 0 1 453.589 5.224 50 0 JKAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923405 554820622 /nfs/dbraw/zinc/82/06/22/554820622.db2.gz YDGWTARZLIQHLI-NRFANRHFSA-N 0 1 483.615 5.233 50 0 JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000008923477 554820639 /nfs/dbraw/zinc/82/06/39/554820639.db2.gz SCFNSRUARHMBAT-FQEVSTJZSA-N 0 1 472.408 5.966 50 0 JKAAMN COc1cc2nc(SCc3ccccc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925839 554821800 /nfs/dbraw/zinc/82/18/00/554821800.db2.gz RPWUPYRVJALKCW-NRFANRHFSA-N 0 1 463.603 5.566 50 0 JKAAMN COc1cc2nc(SCc3ccc(C)cc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925841 554821839 /nfs/dbraw/zinc/82/18/39/554821839.db2.gz AOYCPCFAVKPNPS-QFIPXVFZSA-N 0 1 477.630 5.875 50 0 JKAAMN COc1cc2nc(SCc3ccc(Cl)cc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925844 554821854 /nfs/dbraw/zinc/82/18/54/554821854.db2.gz QUAQXKPXWBRHJS-OAQYLSRUSA-N 0 1 498.048 6.220 50 0 JKAAMN COc1cc2nc(SCc3cccc(C)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925850 554821869 /nfs/dbraw/zinc/82/18/69/554821869.db2.gz LNBNYCAQIFPBLX-QFIPXVFZSA-N 0 1 477.630 5.875 50 0 JKAAMN COc1cc2nc(SCc3ccccc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925838 554821880 /nfs/dbraw/zinc/82/18/80/554821880.db2.gz IRLJWPAUDDUVEY-OAQYLSRUSA-N 0 1 498.048 6.220 50 0 JKAAMN COc1cc2nc(SCc3ccccc3C)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925853 554822011 /nfs/dbraw/zinc/82/20/11/554822011.db2.gz HQZOMSQJFBUZLG-JOCHJYFZSA-N 0 1 477.630 5.875 50 0 JKAAMN COc1cc2nc(SC/C=C/c3ccccc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925854 554822070 /nfs/dbraw/zinc/82/20/70/554822070.db2.gz QDNFGSIFNAPOKT-PZVJUEDKSA-N 0 1 489.641 6.079 50 0 JKAAMN COc1cccc(CSc2nc3cc(OC)c(OC)cc3c3nc(O)c(CC4CCCCC4)n32)c1 ZINC000008925859 554822110 /nfs/dbraw/zinc/82/21/10/554822110.db2.gz LISUEQWZLONQQG-JOCHJYFZSA-N 0 1 493.629 5.575 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008928050 554825552 /nfs/dbraw/zinc/82/55/52/554825552.db2.gz WGAHODUWFBDLAV-JOCHJYFZSA-N 0 1 453.995 5.787 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000008956099 554837020 /nfs/dbraw/zinc/83/70/20/554837020.db2.gz DFMUJEAOKZCRKK-UHFFFAOYSA-N 0 1 471.991 5.620 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)N(C)CC3)OCO2 ZINC000008964507 554838492 /nfs/dbraw/zinc/83/84/92/554838492.db2.gz KIIPWXWTCHRTLY-GKVQRAMASA-N 0 1 479.661 5.980 50 0 biogenic JKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009009641 554863006 /nfs/dbraw/zinc/86/30/06/554863006.db2.gz LVLYEPAAFQPDFO-ZGQJUUMOSA-N 0 1 476.576 5.275 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000009014207 554865531 /nfs/dbraw/zinc/86/55/31/554865531.db2.gz SYPXQUYAKSOJLY-LSMVNSQTSA-N 0 1 496.994 5.601 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009015892 554866225 /nfs/dbraw/zinc/86/62/25/554866225.db2.gz DXFZWQNVFLFBHW-GSTLAZBSSA-N 0 1 482.967 5.211 50 0 JKAAMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCC(C)CC1 ZINC000009015984 554866340 /nfs/dbraw/zinc/86/63/40/554866340.db2.gz CBARMUPAOPYJMA-UHFFFAOYSA-N 0 1 471.395 5.507 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000009019525 554866966 /nfs/dbraw/zinc/86/69/66/554866966.db2.gz MIKCMBMIWAOGSY-VWLOTQADSA-N 0 1 474.004 5.884 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000009109444 554897737 /nfs/dbraw/zinc/89/77/37/554897737.db2.gz JGBAEQZSGKAWOY-KALPRAJFSA-N 0 1 486.930 5.041 50 0 JKAAMN COc1ccc([C@@H]2C=C(Nc3cccc(C(F)(F)F)c3)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000009111482 554898818 /nfs/dbraw/zinc/89/88/18/554898818.db2.gz ROMICPOXIBWRDV-QFIPXVFZSA-N 0 1 492.419 6.817 50 0 JKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)n1 ZINC000009113595 554900743 /nfs/dbraw/zinc/90/07/43/554900743.db2.gz FPTFXAIGPHUIBV-UHFFFAOYSA-N 0 1 479.631 5.885 50 0 JKAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009124133 554914970 /nfs/dbraw/zinc/91/49/70/554914970.db2.gz BWNFWZAFGOCPQV-VWLOTQADSA-N 0 1 474.948 5.283 50 0 JKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009124061 554915030 /nfs/dbraw/zinc/91/50/30/554915030.db2.gz DCRTYPSQBDWPMU-QHCPKHFHSA-N 0 1 465.340 5.538 50 0 JKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000009124319 554915336 /nfs/dbraw/zinc/91/53/36/554915336.db2.gz LOHMXNRJNOJPGM-AREMUKBSSA-N 0 1 487.531 5.388 50 0 JKAAMN COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccccc3C)cc2O)cc1OC ZINC000009130740 554930922 /nfs/dbraw/zinc/93/09/22/554930922.db2.gz MLQRAYCBLFTTQZ-UHFFFAOYSA-N 0 1 484.474 6.373 50 0 JKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccncc1)[C@@]21c2ccccc2NC1=O ZINC000009159373 554948946 /nfs/dbraw/zinc/94/89/46/554948946.db2.gz CDKPVMWAAKYWAN-SQRAXXTESA-N 0 1 491.591 5.060 50 0 JKAAMN CN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009191594 554963915 /nfs/dbraw/zinc/96/39/15/554963915.db2.gz MOWSCCKHJQJWGO-VWLOTQADSA-N 0 1 494.422 6.751 50 0 JKAAMN CC(C)Cn1cc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2c1=O ZINC000009227615 555000522 /nfs/dbraw/zinc/00/05/22/555000522.db2.gz QUTOBAKBLHZCQB-UHFFFAOYSA-N 0 1 481.040 5.345 50 0 JKAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c3ccccc3n2)cc1OC ZINC000009254024 555029551 /nfs/dbraw/zinc/02/95/51/555029551.db2.gz AVFZDOVYEVKKNK-UHFFFAOYSA-N 0 1 496.611 5.232 50 0 JKAAMN CCCOc1ccc(-c2nc(CN3CCC(C(=O)Nc4c(C)cccc4C)CC3)c(C)o2)cc1 ZINC000009274596 555047467 /nfs/dbraw/zinc/04/74/67/555047467.db2.gz YEJCLEJOTBVERB-UHFFFAOYSA-N 0 1 461.606 5.906 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009281030 555049892 /nfs/dbraw/zinc/04/98/92/555049892.db2.gz CVIBHWZTMFBMQU-GFQWBHFJSA-N 0 1 482.967 5.211 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009282860 555053091 /nfs/dbraw/zinc/05/30/91/555053091.db2.gz FJRJYSAVSSGWSB-UHFFFAOYSA-N 0 1 466.346 5.447 50 0 JKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000009307597 555080611 /nfs/dbraw/zinc/08/06/11/555080611.db2.gz LGTRHQZPAVTYED-UBRKHCEVSA-N 0 1 480.564 5.258 50 0 JKAAMN 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ZINC000013595989 555529170 /nfs/dbraw/zinc/52/91/70/555529170.db2.gz VXCMJAMPXUUFBU-PMERELPUSA-N 0 1 497.639 5.336 50 0 JKAAMN FC(F)(F)c1cc(-c2ccco2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894413 555532276 /nfs/dbraw/zinc/53/22/76/555532276.db2.gz YEHZMWHOENURBZ-UHFFFAOYSA-N 0 1 464.491 5.667 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000019909180 555537063 /nfs/dbraw/zinc/53/70/63/555537063.db2.gz WCTWGSNIQXQOBW-UHFFFAOYSA-N 0 1 454.401 5.339 50 0 JKAAMN O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H](NCc1csc(Cc2ccccc2)n1)CC3 ZINC000019939831 555557840 /nfs/dbraw/zinc/55/78/40/555557840.db2.gz METFCJHINMHGJC-GOSISDBHSA-N 0 1 476.671 5.268 50 0 JKAAMN O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019943520 555561440 /nfs/dbraw/zinc/56/14/40/555561440.db2.gz HSYTYJYSWIDKDZ-UHFFFAOYSA-N 0 1 456.977 5.002 50 0 JKAAMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000019991318 555576559 /nfs/dbraw/zinc/57/65/59/555576559.db2.gz 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O=C(c1cnc2c(c1)c(-c1ccc(Br)cc1)nn2-c1ccccc1)c1ccccc1O ZINC000020095035 555631906 /nfs/dbraw/zinc/63/19/06/555631906.db2.gz PUMPTZXWIDUKNZ-UHFFFAOYSA-N 0 1 470.326 5.787 50 0 JKAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)ccc3n2)CC1 ZINC000020108625 555643773 /nfs/dbraw/zinc/64/37/73/555643773.db2.gz XUXJPBMTZZLRHL-NDEPHWFRSA-N 0 1 456.634 5.598 50 0 JKAAMN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(Br)ccc1OCc1ccccn1 ZINC000020112191 555649384 /nfs/dbraw/zinc/64/93/84/555649384.db2.gz PUORPTODGSKYBQ-QHCPKHFHSA-N 0 1 464.363 5.148 50 0 biogenic JKAAMN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000010232772 555657254 /nfs/dbraw/zinc/65/72/54/555657254.db2.gz DSOITUIDUFJKLY-UHFFFAOYSA-N 0 1 467.481 5.909 50 0 JKAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N[C@@H]4CCCc5ccccc54)ccc3n2)CC1 ZINC000020153645 555673073 /nfs/dbraw/zinc/67/30/73/555673073.db2.gz HBUMPMJNLBRUCT-XMMPIXPASA-N 0 1 459.663 5.049 50 0 JKAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cc12 ZINC000020153865 555673423 /nfs/dbraw/zinc/67/34/23/555673423.db2.gz RISMAZBZIKNWOR-UHFFFAOYSA-N 0 1 473.690 5.093 50 0 JKAAMN COc1ccc(NC(=O)c2occc2COc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000010323124 555683186 /nfs/dbraw/zinc/68/31/86/555683186.db2.gz YDRMCRDBNUXAHZ-UHFFFAOYSA-N 0 1 496.516 5.059 50 0 JKAAMN CCCn1c(=O)cc(O)nc1S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000014093764 555686233 /nfs/dbraw/zinc/68/62/33/555686233.db2.gz AZVLHRZQFJGQGH-LJQANCHMSA-N 0 1 497.926 5.503 50 0 JKAAMN CCOc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000020182343 555689937 /nfs/dbraw/zinc/68/99/37/555689937.db2.gz SVIDIUNIYHXYDW-UHFFFAOYSA-N 0 1 481.618 5.311 50 0 JKAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3)c2)cc1Cl ZINC000014115606 555691885 /nfs/dbraw/zinc/69/18/85/555691885.db2.gz DHJMAUIGQNZNPZ-UHFFFAOYSA-N 0 1 495.384 5.372 50 0 JKAAMN Cc1nc2ccc(NC(=O)CSc3nnc(-c4cc5ccccc5o4)n3Cc3ccccc3)cc2[nH]1 ZINC000020193790 555694946 /nfs/dbraw/zinc/69/49/46/555694946.db2.gz UPGXIFMTUBQYRE-UHFFFAOYSA-N 0 1 494.580 5.655 50 0 JKAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCc3ccccc3)c3ccc(C)cc3)n2)cc1 ZINC000010381808 555701918 /nfs/dbraw/zinc/70/19/18/555701918.db2.gz NCTONIUJIUTTSM-DEOSSOPVSA-N 0 1 472.614 5.371 50 0 JKAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014138661 555705002 /nfs/dbraw/zinc/70/50/02/555705002.db2.gz WBEPZIWAKIORLO-NRFANRHFSA-N 0 1 479.580 5.904 50 0 JKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000020240863 555736117 /nfs/dbraw/zinc/73/61/17/555736117.db2.gz DMHYDHSMSSMSFU-XXBNENTESA-N 0 1 466.025 5.653 50 0 JKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000020240734 555736170 /nfs/dbraw/zinc/73/61/70/555736170.db2.gz ZXMCHSCOXMYSFV-LJQANCHMSA-N 0 1 466.025 5.653 50 0 JKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000020240861 555736178 /nfs/dbraw/zinc/73/61/78/555736178.db2.gz DMHYDHSMSSMSFU-CVDCTZTESA-N 0 1 466.025 5.653 50 0 JKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000020240858 555736209 /nfs/dbraw/zinc/73/62/09/555736209.db2.gz DMHYDHSMSSMSFU-WMZHIEFXSA-N 0 1 466.025 5.653 50 0 JKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286131 555754734 /nfs/dbraw/zinc/75/47/34/555754734.db2.gz IDIJPWCOSWJYFE-UHFFFAOYSA-N 0 1 499.467 5.698 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)/C(C)=C\c3ccccc3)ccc2nc2c1CCCC2 ZINC000020322047 555770913 /nfs/dbraw/zinc/77/09/13/555770913.db2.gz HGALTVMPDGRSAJ-ZZEZOPTASA-N 0 1 463.581 6.908 50 0 JKAAMN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1)C(=O)Nc1c(C)cccc1C ZINC000020355886 555784931 /nfs/dbraw/zinc/78/49/31/555784931.db2.gz ROHKUFQABZFJAL-FQEVSTJZSA-N 0 1 499.658 5.265 50 0 JKAAMN Cc1c(-c2ccccc2)sc(NC(=O)CSc2nc(C3CC3)n[nH]2)c1C(=O)N1CCCCC1 ZINC000011571517 555787874 /nfs/dbraw/zinc/78/78/74/555787874.db2.gz FIDTZRVXERMUDZ-UHFFFAOYSA-N 0 1 481.647 5.076 50 0 JKAAMN Cc1c(-c2ccccc2)sc(NC(=O)CSc2n[nH]c(C3CC3)n2)c1C(=O)N1CCCCC1 ZINC000011571517 555787878 /nfs/dbraw/zinc/78/78/78/555787878.db2.gz FIDTZRVXERMUDZ-UHFFFAOYSA-N 0 1 481.647 5.076 50 0 JKAAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)[nH]c2c1 ZINC000014357298 555796716 /nfs/dbraw/zinc/79/67/16/555796716.db2.gz KKQBROCRFWXNDI-LLVKDONJSA-N 0 1 463.415 6.421 50 0 JKAAMN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000011787493 555821677 /nfs/dbraw/zinc/82/16/77/555821677.db2.gz WAQYIPMPBHZVFP-VAVYLYDRSA-N 0 1 484.575 5.190 50 0 JKAAMN Cc1ccc2nc(SCC(=O)N3CCC[C@H](c4nc(C)ncc4-c4ccc(F)cc4)C3)[nH]c2c1 ZINC000011789628 555824605 /nfs/dbraw/zinc/82/46/05/555824605.db2.gz JXBGVQRNSFCMMG-IBGZPJMESA-N 0 1 475.593 5.274 50 0 JKAAMN COc1ccc(F)c(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000011813053 555828776 /nfs/dbraw/zinc/82/87/76/555828776.db2.gz VBEHNNQJVGSNMH-HHHXNRCGSA-N 0 1 464.581 5.331 50 0 JKAAMN COc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cc1O ZINC000011817078 555831087 /nfs/dbraw/zinc/83/10/87/555831087.db2.gz IUTPUWWHMIMGLU-UHFFFAOYSA-N 0 1 450.966 5.572 50 0 JKAAMN CCCCN(CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597936 555840347 /nfs/dbraw/zinc/84/03/47/555840347.db2.gz ONBORKGHTJRIHH-UHFFFAOYSA-N 0 1 488.632 5.148 50 0 JKAAMN O=C(CC1CCCC1)N1CCC[C@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000014998488 555842994 /nfs/dbraw/zinc/84/29/94/555842994.db2.gz VVJITDCEMPBRTE-MHZLTWQESA-N 0 1 475.677 5.207 50 0 JKAAMN COc1ccc(F)c(CN2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011910513 555858044 /nfs/dbraw/zinc/85/80/44/555858044.db2.gz BWJCEQDIJFSSCS-VWLOTQADSA-N 0 1 486.534 5.301 50 0 JKAAMN O=c1[nH]c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000022030228 555864558 /nfs/dbraw/zinc/86/45/58/555864558.db2.gz JQGPOIBJWPRIOI-UHFFFAOYSA-N 0 1 478.518 5.261 50 0 JKAAMN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000011915828 555867121 /nfs/dbraw/zinc/86/71/21/555867121.db2.gz RJCOZRGUZUHGCB-UHFFFAOYSA-N 0 1 453.454 5.601 50 0 JKAAMN CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000011915830 555867214 /nfs/dbraw/zinc/86/72/14/555867214.db2.gz JHRNVWDIIVSTHP-UHFFFAOYSA-N 0 1 495.491 5.769 50 0 JKAAMN Fc1ccc(CSc2nnc(C3CCN(Cc4ccccc4F)CC3)n2C[C@H]2CCCO2)cc1 ZINC000015067260 555867500 /nfs/dbraw/zinc/86/75/00/555867500.db2.gz MNTSCVQFCWJPIV-HSZRJFAPSA-N 0 1 484.616 5.407 50 0 JKAAMN COc1cccc(CN2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1OC ZINC000012001775 555882704 /nfs/dbraw/zinc/88/27/04/555882704.db2.gz GFTJQBQLOSAPID-DEOSSOPVSA-N 0 1 498.570 5.171 50 0 JKAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000015227849 555887824 /nfs/dbraw/zinc/88/78/24/555887824.db2.gz ZHTXKNMEHXZBSP-UHFFFAOYSA-N 0 1 458.572 5.117 50 0 JKAAMN COc1ccc(OC)c(CN2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037595 555890658 /nfs/dbraw/zinc/89/06/58/555890658.db2.gz SXBIDSNZTIRJRA-RUZDIDTESA-N 0 1 497.035 5.546 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(Cl)sc2Cl)ccc1C ZINC000015633188 555920592 /nfs/dbraw/zinc/92/05/92/555920592.db2.gz OTYRQAHLZGHOMA-UHFFFAOYSA-N 0 1 471.387 5.425 50 0 JKAAMN CC[C@@H](NC(=O)CC[C@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1)c1nc2ccc(C)cc2[nH]1 ZINC000012150435 555922466 /nfs/dbraw/zinc/92/24/66/555922466.db2.gz GWTKZQYNYFEZNF-WVXBCFDCSA-N 0 1 498.627 5.272 50 0 JKAAMN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000015669810 555924483 /nfs/dbraw/zinc/92/44/83/555924483.db2.gz UWYWFFRBUOSARW-UHFFFAOYSA-N 0 1 495.491 5.672 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000015669825 555924551 /nfs/dbraw/zinc/92/45/51/555924551.db2.gz DGAFQMJSXPLVID-UHFFFAOYSA-N 0 1 486.911 6.623 50 0 JKAAMN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 ZINC000015669807 555924594 /nfs/dbraw/zinc/92/45/94/555924594.db2.gz 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COc1cc2nc(SCc3ccccc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951528 556160507 /nfs/dbraw/zinc/16/05/07/556160507.db2.gz IRLJWPAUDDUVEY-NRFANRHFSA-N 0 1 498.048 6.220 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SC/C=C/c1ccccc1)=N2 ZINC000012951531 556160512 /nfs/dbraw/zinc/16/05/12/556160512.db2.gz WKTVQIFRBPRZJB-PZVJUEDKSA-N 0 1 483.593 5.352 50 0 JKAAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000024842871 556160550 /nfs/dbraw/zinc/16/05/50/556160550.db2.gz IYOVJGMZCWFZOC-UHFFFAOYSA-N 0 1 454.876 5.471 50 0 JKAAMN Cc1[nH]nc(-c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2O)c1-c1ccccc1 ZINC000024986227 556169797 /nfs/dbraw/zinc/16/97/97/556169797.db2.gz AKLCYOZJDJCCPQ-UHFFFAOYSA-N 0 1 489.019 5.612 50 0 JKAAMN CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000012985781 556179693 /nfs/dbraw/zinc/17/96/93/556179693.db2.gz XHUBMBOLBVACKX-UHFFFAOYSA-N 0 1 477.970 5.957 50 0 JKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@H]4CCC[C@@H]4OCc4ccccc4)cc3)n[nH]c1-2 ZINC000025146592 556185094 /nfs/dbraw/zinc/18/50/94/556185094.db2.gz UYZLTYYMGDJTOD-NSOVKSMOSA-N 0 1 493.607 5.719 50 0 JKAAMN COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957520 556188557 /nfs/dbraw/zinc/18/85/57/556188557.db2.gz PMPAMSURRMCKHB-WCAVRKLYSA-N 0 1 473.520 5.830 50 0 JKAAMN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000025150658 556191134 /nfs/dbraw/zinc/19/11/34/556191134.db2.gz INHFSVIGSXBZDA-UHFFFAOYSA-N 0 1 457.577 6.696 50 0 JKAAMN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)cc1OC ZINC000025155933 556196686 /nfs/dbraw/zinc/19/66/86/556196686.db2.gz HRVMKALAQVHXCU-UHFFFAOYSA-N 0 1 477.564 5.887 50 0 JKAAMN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2)o1 ZINC000025258431 556206559 /nfs/dbraw/zinc/20/65/59/556206559.db2.gz PDJYZIGYJHKPPL-UHFFFAOYSA-N 0 1 467.573 5.025 50 0 JKAAMN COc1cc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461348 556217100 /nfs/dbraw/zinc/21/71/00/556217100.db2.gz STSQQIFVGFWTEQ-KOSHJBKYSA-N 0 1 483.395 6.325 50 0 JKAAMN CC[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000025782884 556234704 /nfs/dbraw/zinc/23/47/04/556234704.db2.gz TXVNNFDXQZFMBQ-XHYUFEOFSA-N 0 1 464.993 5.915 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H](O)[C@@]43C)[nH]c2c1 ZINC000017185635 556235181 /nfs/dbraw/zinc/23/51/81/556235181.db2.gz YBTASYSZWGVCAL-UATLYHDXSA-N 0 1 478.721 6.431 50 0 JKAAMN Cc1ccc2nc(SCC(=O)Nc3sc4c(c3C(=O)OC(C)C)CC[C@@H](C)C4)[nH]c2c1 ZINC000013038232 556235682 /nfs/dbraw/zinc/23/56/82/556235682.db2.gz MGEDLLMCBFNETG-CQSZACIVSA-N 0 1 457.621 5.354 50 0 JKAAMN Cc1ccc2nc(SCC(=O)Nc3sc4c(c3C(=O)OC(C)C)CC[C@H](C)C4)[nH]c2c1 ZINC000013038231 556235695 /nfs/dbraw/zinc/23/56/95/556235695.db2.gz MGEDLLMCBFNETG-AWEZNQCLSA-N 0 1 457.621 5.354 50 0 JKAAMN C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CCN(Cc5ccccc5)CC4)c23)C1 ZINC000013038856 556238119 /nfs/dbraw/zinc/23/81/19/556238119.db2.gz AUIXMVPUBUFUPM-IBGZPJMESA-N 0 1 455.631 5.200 50 0 JKAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000026121271 556249559 /nfs/dbraw/zinc/24/95/59/556249559.db2.gz VSMFYZDLEPIGLI-UHFFFAOYSA-N 0 1 455.400 5.303 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)N2CCCC2)cc1 ZINC000013058001 556253263 /nfs/dbraw/zinc/25/32/63/556253263.db2.gz RTVUVSCCADMYLQ-MUUNZHRXSA-N 0 1 466.585 5.115 50 0 JKAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4c(C)cccc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000017315318 556257137 /nfs/dbraw/zinc/25/71/37/556257137.db2.gz LNEDRNGRTAFGNA-UHFFFAOYSA-N 0 1 498.655 5.251 50 0 JKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017884866 556269707 /nfs/dbraw/zinc/26/97/07/556269707.db2.gz QELXDQHSKNAKKE-CYXNTTPDSA-N 0 1 490.531 5.064 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000017993867 556275106 /nfs/dbraw/zinc/27/51/06/556275106.db2.gz TWAUFHMPHXIOKH-VJGNERBWSA-N 0 1 486.568 5.234 50 0 JKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1 ZINC000027522921 556287007 /nfs/dbraw/zinc/28/70/07/556287007.db2.gz NIOHQZZDRBGINJ-YADHBBJMSA-N 0 1 481.335 5.145 50 0 JKAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018100081 556287625 /nfs/dbraw/zinc/28/76/25/556287625.db2.gz YCKZIYVRIPZFNG-ZLNRFVROSA-N 0 1 499.350 5.062 50 0 JKAAMN CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCCCOc1cc(C)c(Cl)c(C)c1 ZINC000027552214 556296828 /nfs/dbraw/zinc/29/68/28/556296828.db2.gz WQPONXPQUJKECF-WQRHYEAKSA-N 0 1 479.360 5.037 50 0 JKAAMN CSc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018178138 556298344 /nfs/dbraw/zinc/29/83/44/556298344.db2.gz BTIOOIGGHNJAGI-VSKRKVRLSA-N 0 1 450.947 5.113 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccc(Cl)cc3)no2)cc1C ZINC000027582554 556300172 /nfs/dbraw/zinc/30/01/72/556300172.db2.gz CQOYDACZEKAFLR-UHFFFAOYSA-N 0 1 485.927 6.863 50 0 JKAAMN CC(C)c1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585268 556300536 /nfs/dbraw/zinc/30/05/36/556300536.db2.gz BLILSZZYGYGYDM-UHFFFAOYSA-N 0 1 491.639 5.874 50 0 JKAAMN CCc1ccccc1Cc1cc(C)cc(C)c1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1O ZINC000018194789 556302076 /nfs/dbraw/zinc/30/20/76/556302076.db2.gz FVGCQEXVXNGMFY-UHFFFAOYSA-N 0 1 463.426 6.443 50 0 JKAAMN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000027662617 556302092 /nfs/dbraw/zinc/30/20/92/556302092.db2.gz DXNTYABPPQYTCD-UHFFFAOYSA-N 0 1 467.481 5.909 50 0 JKAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027662665 556302110 /nfs/dbraw/zinc/30/21/10/556302110.db2.gz ROERNQNVMSZBOL-OAQYLSRUSA-N 0 1 455.396 5.769 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000027662621 556302142 /nfs/dbraw/zinc/30/21/42/556302142.db2.gz KFDQUTYQYMCSKO-UHFFFAOYSA-N 0 1 456.885 6.533 50 0 JKAAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000013112756 556315068 /nfs/dbraw/zinc/31/50/68/556315068.db2.gz NRSWWNRZDKYKIE-JTQLQIEISA-N 0 1 467.776 5.016 50 0 JKAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)N2CCCC2)cc1 ZINC000028290106 556327967 /nfs/dbraw/zinc/32/79/67/556327967.db2.gz NMIZCIATVUFDBW-NRFANRHFSA-N 0 1 497.433 5.420 50 0 JKAAMN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N2CCCC2)cc1 ZINC000028289926 556328021 /nfs/dbraw/zinc/32/80/21/556328021.db2.gz FUAXSAYJVSLQND-OAQYLSRUSA-N 0 1 497.433 5.420 50 0 JKAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028291788 556328541 /nfs/dbraw/zinc/32/85/41/556328541.db2.gz DZVCBJASUCJYFI-JOCHJYFZSA-N 0 1 483.450 6.368 50 0 JKAAMN CSc1ncc(Br)c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)n1 ZINC000028292751 556328947 /nfs/dbraw/zinc/32/89/47/556328947.db2.gz AICCOWPKFWJCEY-LJQANCHMSA-N 0 1 477.472 5.041 50 0 JKAAMN Clc1ccc2c(c1)C[C@@H](N1CCN(Cc3ccccc3)CC1)c1cccc(Cl)c1S2 ZINC000019369497 556346564 /nfs/dbraw/zinc/34/65/64/556346564.db2.gz NRQUMGJPAWYFEI-HSZRJFAPSA-N 0 1 455.454 6.560 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2cccc3ccccc32)ccc1C ZINC000013133902 556360532 /nfs/dbraw/zinc/36/05/32/556360532.db2.gz KMVJVHIAQZTNEM-UHFFFAOYSA-N 0 1 460.555 5.139 50 0 JKAAMN COc1ccc(OC)c(CCC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC000029955968 556360847 /nfs/dbraw/zinc/36/08/47/556360847.db2.gz LTPJOJOLRNXNDC-XMMPIXPASA-N 0 1 483.490 5.437 50 0 JKAAMN COc1ccc(C)cc1CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029956635 556360851 /nfs/dbraw/zinc/36/08/51/556360851.db2.gz RLBWYZZMXHORNW-HSZRJFAPSA-N 0 1 453.464 5.347 50 0 JKAAMN CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1csc(Cc2ccccc2)n1)C3 ZINC000019742722 556364872 /nfs/dbraw/zinc/36/48/72/556364872.db2.gz HXZNQJAEIUGIIH-IBGZPJMESA-N 0 1 478.687 5.199 50 0 JKAAMN CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000019830619 556397663 /nfs/dbraw/zinc/39/76/63/556397663.db2.gz SLEKJZUJKWULAC-UHFFFAOYSA-N 0 1 467.617 5.016 50 0 JKAAMN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622359 556452207 /nfs/dbraw/zinc/45/22/07/556452207.db2.gz AVCUSPXUIWCIRA-NRFANRHFSA-N 0 1 454.368 5.061 50 0 JKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000032690923 556470809 /nfs/dbraw/zinc/47/08/09/556470809.db2.gz WDIPRPHUAKTYOI-BILXGNRESA-N 0 1 483.162 9.158 50 0 JKAAMN Cc1ccc(SCCNC(=O)CSc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000032739534 556479607 /nfs/dbraw/zinc/47/96/07/556479607.db2.gz IYHVXAOUTBGBHP-UHFFFAOYSA-N 0 1 453.420 5.088 50 0 JKAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000032948235 556563077 /nfs/dbraw/zinc/56/30/77/556563077.db2.gz RSPAPQJYXNXUDZ-UHFFFAOYSA-N 0 1 498.655 5.251 50 0 JKAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C(C)C)cc4)[nH]c(=O)c3sc2=S)c1 ZINC000032948305 556563500 /nfs/dbraw/zinc/56/35/00/556563500.db2.gz RMDXRSVBPHWNTK-UHFFFAOYSA-N 0 1 498.655 5.368 50 0 JKAAMN Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)cc1C ZINC000032948426 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COc1cccc([C@H](CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccc(C(C)C)cc2)c1 ZINC000034740044 569655057 /nfs/dbraw/zinc/65/50/57/569655057.db2.gz ZBWMHVCEJQXERK-LJAQVGFWSA-N 0 1 462.609 6.290 50 0 JKAAMN CC(C)c1ccc(O[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)c2ccccc2F)cc1 ZINC000034740040 569655153 /nfs/dbraw/zinc/65/51/53/569655153.db2.gz MKBAJXXFPZTWLU-NDEPHWFRSA-N 0 1 450.573 6.421 50 0 JKAAMN Cc1cc(O[C@H](CCN2CCN(Cc3ccccc3)CC2)c2ccccc2F)ccc1C(C)C ZINC000034740099 569655241 /nfs/dbraw/zinc/65/52/41/569655241.db2.gz RYXFWQBYJFEHMO-SSEXGKCCSA-N 0 1 460.637 6.586 50 0 JKAAMN COc1ccccc1[C@@H](CCN1CCN(Cc2ccccc2)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000034740139 569655326 /nfs/dbraw/zinc/65/53/26/569655326.db2.gz SOXPZLPOWAIHGP-WJOKGBTCSA-N 0 1 472.673 6.455 50 0 JKAAMN Cc1cc(O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)c2cccs2)ccc1C(C)C ZINC000034740125 569655348 /nfs/dbraw/zinc/65/53/48/569655348.db2.gz INKRACUZGSIJKN-AREMUKBSSA-N 0 1 452.639 6.651 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740113 569655421 /nfs/dbraw/zinc/65/54/21/569655421.db2.gz KZNSMFXJMOEUHK-GDLZYMKVSA-N 0 1 476.636 6.599 50 0 JKAAMN CCN1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccc(Cl)cc4)cc32)CC1 ZINC000034790984 569660112 /nfs/dbraw/zinc/66/01/12/569660112.db2.gz DYRYJPFBLJKODY-UHFFFAOYSA-N 0 1 460.965 5.414 50 0 JKAAMN COc1cccc(CC(=O)Nc2ccc3c(c2)C(N2CCN(C(C)C)CC2)=Nc2ccccc2O3)c1 ZINC000034790616 569660150 /nfs/dbraw/zinc/66/01/50/569660150.db2.gz DDDKBBSWRNZMAX-UHFFFAOYSA-N 0 1 484.600 5.086 50 0 JKAAMN COc1ccc(OC)c(-c2[nH]nc(C3CCOCC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000034794176 569660807 /nfs/dbraw/zinc/66/08/07/569660807.db2.gz ALRVQIWDVDHUFX-UHFFFAOYSA-N 0 1 475.467 5.259 50 0 JKAAMN CCOC(=O)c1c(NC(=O)[C@@H](NCCc2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000034800867 569661261 /nfs/dbraw/zinc/66/12/61/569661261.db2.gz FHJCBZLGQCRZQP-CLOONOSVSA-N 0 1 476.642 5.562 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034814865 569662860 /nfs/dbraw/zinc/66/28/60/569662860.db2.gz QIJVXFYZWFJPFO-UHFFFAOYSA-N 0 1 495.671 5.528 50 0 JKAAMN CCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)CC(C)C)cc1 ZINC000034829541 569663045 /nfs/dbraw/zinc/66/30/45/569663045.db2.gz MZEXHGZRHOQJLU-UHFFFAOYSA-N 0 1 487.692 5.183 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034829556 569663266 /nfs/dbraw/zinc/66/32/66/569663266.db2.gz WSALHLKJHLMPPH-UHFFFAOYSA-N 0 1 474.653 5.075 50 0 JKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830333 569663904 /nfs/dbraw/zinc/66/39/04/569663904.db2.gz IRXHKOJMANALLP-KHVXQDHOSA-N 0 1 495.733 5.280 50 0 JKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000034830318 569663940 /nfs/dbraw/zinc/66/39/40/569663940.db2.gz JUAZDCJVQRSAOU-RBISFHTESA-N 0 1 493.717 5.034 50 0 JKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)CC(C)(C)C ZINC000034832098 569664379 /nfs/dbraw/zinc/66/43/79/569664379.db2.gz YZDALGGOVUIRPM-FQEVSTJZSA-N 0 1 471.665 5.025 50 0 JKAAMN CCCC[C@@H](CC)C(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034832160 569664409 /nfs/dbraw/zinc/66/44/09/569664409.db2.gz HHQIHHIEGQWYTK-AREMUKBSSA-N 0 1 495.756 5.914 50 0 JKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)c1ccc2ccccc2c1 ZINC000034834393 569664762 /nfs/dbraw/zinc/66/47/62/569664762.db2.gz ZQPZVEKWNRWEHS-UHFFFAOYSA-N 0 1 495.671 5.384 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034835808 569665056 /nfs/dbraw/zinc/66/50/56/569665056.db2.gz KZKAWZHDBSJKRF-UHFFFAOYSA-N 0 1 492.643 5.214 50 0 JKAAMN CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C1CC1 ZINC000034835607 569665106 /nfs/dbraw/zinc/66/51/06/569665106.db2.gz KTMZOPGVZKKJEN-QFIPXVFZSA-N 0 1 483.676 5.169 50 0 JKAAMN CCN1CCN(c2c(CN(Cc3ccccc3Cl)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836386 569665230 /nfs/dbraw/zinc/66/52/30/569665230.db2.gz GXADGLNTFFTERV-UHFFFAOYSA-N 0 1 484.063 5.526 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1Cl ZINC000034836461 569665751 /nfs/dbraw/zinc/66/57/51/569665751.db2.gz IJBZOOYDFNLZLT-UHFFFAOYSA-N 0 1 470.036 5.137 50 0 JKAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccccc1F)C(C)C ZINC000034836821 569665921 /nfs/dbraw/zinc/66/59/21/569665921.db2.gz MMKGOPSPLCEXHX-UHFFFAOYSA-N 0 1 463.645 5.126 50 0 JKAAMN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035105646 569675072 /nfs/dbraw/zinc/67/50/72/569675072.db2.gz VEFWCJOAIHRSIE-RBZFPXEDSA-N 0 1 470.392 5.545 50 0 JKAAMN Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(C(=O)c3cccs3)c3cccs3)C2)cc1 ZINC000065563362 569675994 /nfs/dbraw/zinc/67/59/94/569675994.db2.gz PBUPUTXKPHNVJL-AVRDEDQJSA-N 0 1 453.585 5.138 50 0 JKAAMN COc1ccc2[nH]c(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3ccccc3OC)cc2c1 ZINC000066087591 569676733 /nfs/dbraw/zinc/67/67/33/569676733.db2.gz AZNPOBYWIZWWGZ-NDEPHWFRSA-N 0 1 478.552 5.363 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(F)cc1)=N2 ZINC000035372875 569683228 /nfs/dbraw/zinc/68/32/28/569683228.db2.gz IVZHNSSHQVSHTL-UHFFFAOYSA-N 0 1 473.017 5.173 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(OC)cc1)=N2 ZINC000035372873 569683234 /nfs/dbraw/zinc/68/32/34/569683234.db2.gz IHUXCZONDMRZCU-UHFFFAOYSA-N 0 1 485.053 5.042 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372718 569683293 /nfs/dbraw/zinc/68/32/93/569683293.db2.gz BODFEQFCHLVHSZ-UHFFFAOYSA-N 0 1 476.980 5.003 50 0 JKAAMN Cc1ccc(-c2cc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nccn3n2)c(C)c1 ZINC000067285089 569683311 /nfs/dbraw/zinc/68/33/11/569683311.db2.gz XQMJDABIRMLMSS-UHFFFAOYSA-N 0 1 473.624 5.925 50 0 JKAAMN Cc1ccccc1-c1cc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nccn2n1 ZINC000067285446 569683356 /nfs/dbraw/zinc/68/33/56/569683356.db2.gz BVPVOXFFVOQJDS-UHFFFAOYSA-N 0 1 459.597 5.616 50 0 JKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397154 569687716 /nfs/dbraw/zinc/68/77/16/569687716.db2.gz XDFRQOACWZKRAC-UHFFFAOYSA-N 0 1 483.081 5.633 50 0 JKAAMN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)c1 ZINC000035397185 569687786 /nfs/dbraw/zinc/68/77/86/569687786.db2.gz VIPDKZVKSXQGDA-UHFFFAOYSA-N 0 1 499.478 5.061 50 0 JKAAMN Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397157 569687808 /nfs/dbraw/zinc/68/78/08/569687808.db2.gz WNCWIHVQBUNZDN-UHFFFAOYSA-N 0 1 497.108 5.941 50 0 JKAAMN CC(C)C(=O)Nc1ccc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422735 569692867 /nfs/dbraw/zinc/69/28/67/569692867.db2.gz GNBNYZCQLMXWPY-SANMLTNESA-N 0 1 492.019 5.544 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427408 569694199 /nfs/dbraw/zinc/69/41/99/569694199.db2.gz SZHKVZUBLYQMNC-SANMLTNESA-N 0 1 476.690 5.886 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427388 569694244 /nfs/dbraw/zinc/69/42/44/569694244.db2.gz NAIUCINKIONNDB-MHZLTWQESA-N 0 1 482.653 6.362 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427452 569694471 /nfs/dbraw/zinc/69/44/71/569694471.db2.gz SGHROLYPANIDSO-AREMUKBSSA-N 0 1 486.616 6.193 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)N(C)CC3)OCO2 ZINC000072330372 569702737 /nfs/dbraw/zinc/70/27/37/569702737.db2.gz RXLGJHRPYZIAAS-RTFZILSDSA-N 0 1 465.634 5.590 50 0 biogenic JKAAMN COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)N(C)CC3)OCO2 ZINC000072330373 569702783 /nfs/dbraw/zinc/70/27/83/569702783.db2.gz RXLGJHRPYZIAAS-PDIWNELESA-N 0 1 465.634 5.590 50 0 biogenic JKAAMN CC(C)(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCCC2)cc1 ZINC000035671567 569706182 /nfs/dbraw/zinc/70/61/82/569706182.db2.gz KZJYYBDNJFZZAB-SFHVURJKSA-N 0 1 482.675 5.027 50 0 JKAAMN CCCC(=O)OC[C@@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840656 569713730 /nfs/dbraw/zinc/71/37/30/569713730.db2.gz PWZPCVANTXBUTN-NDEPHWFRSA-N 0 1 476.661 5.540 50 0 JKAAMN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000035843715 569714498 /nfs/dbraw/zinc/71/44/98/569714498.db2.gz KQTYQSFNGXYGMI-QFIPXVFZSA-N 0 1 471.881 6.379 50 0 JKAAMN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843574 569714633 /nfs/dbraw/zinc/71/46/33/569714633.db2.gz YKBZMPREYIDZJW-QFIPXVFZSA-N 0 1 465.432 5.320 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000035844054 569714680 /nfs/dbraw/zinc/71/46/80/569714680.db2.gz BHILAFPBTYDLPB-NSBPXKJOSA-N 0 1 496.994 5.601 50 0 JKAAMN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844749 569715436 /nfs/dbraw/zinc/71/54/36/569715436.db2.gz TXULOXFVVWOZDV-UHFFFAOYSA-N 0 1 474.689 6.759 50 0 JKAAMN COCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000035844873 569715545 /nfs/dbraw/zinc/71/55/45/569715545.db2.gz HXDSWCMEGGEVTK-UHFFFAOYSA-N 0 1 462.634 5.315 50 0 JKAAMN CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000086048489 569716843 /nfs/dbraw/zinc/71/68/43/569716843.db2.gz YYLCFIWRDBOYMN-UHFFFAOYSA-N 0 1 455.002 5.520 50 0 JKAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871739 569718922 /nfs/dbraw/zinc/71/89/22/569718922.db2.gz QAIYRSQDAWAHMC-IYKJZBSOSA-N 0 1 490.047 5.089 50 0 JKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(-c5cccs5)n[nH]4)cc3)sc2c1 ZINC000089665747 569719560 /nfs/dbraw/zinc/71/95/60/569719560.db2.gz IQGXAXGFDCOIFG-UHFFFAOYSA-N 0 1 463.613 5.849 50 0 JKAAMN c1ccc(CCc2nc3sc4c(c3c(N3CCN(Cc5ccccc5)CC3)n2)CCCCC4)cc1 ZINC000035892963 569722713 /nfs/dbraw/zinc/72/27/13/569722713.db2.gz BQRQPRALGCDQLF-UHFFFAOYSA-N 0 1 482.697 6.068 50 0 JKAAMN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1C ZINC000035912503 569727511 /nfs/dbraw/zinc/72/75/11/569727511.db2.gz ASKSUUGWCBZZGK-SANMLTNESA-N 0 1 489.622 5.431 50 0 JKAAMN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)c12 ZINC000035924508 569727944 /nfs/dbraw/zinc/72/79/44/569727944.db2.gz PNGADULMDLLBGC-UHFFFAOYSA-N 0 1 474.612 5.037 50 0 JKAAMN CCCN1CCc2c(c(CN(C(=O)[C@@H](CC)c3ccccc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926210 569729507 /nfs/dbraw/zinc/72/95/07/569729507.db2.gz SKDMGSISAGKWGJ-SANMLTNESA-N 0 1 472.677 5.880 50 0 JKAAMN CCCN1CCc2c(c(CN(C(=O)c3cccc(Cl)c3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926215 569729557 /nfs/dbraw/zinc/72/95/57/569729557.db2.gz HTPAIYDHPGEBHG-UHFFFAOYSA-N 0 1 465.041 5.653 50 0 JKAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)ccc1OC(C)C ZINC000096113877 569733089 /nfs/dbraw/zinc/73/30/89/569733089.db2.gz RGDPUDAXAQLXGJ-GOSISDBHSA-N 0 1 488.492 5.108 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1ccc(Br)cc1)CC(=O)O2 ZINC000096115825 569734837 /nfs/dbraw/zinc/73/48/37/569734837.db2.gz ZALSFTWVNAWHCI-INIZCTEOSA-N 0 1 479.282 5.075 50 0 biogenic JKAAMN CCOc1cc(/C=C\C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc(Cl)c1OC ZINC000096315704 569740192 /nfs/dbraw/zinc/74/01/92/569740192.db2.gz OPWKLCBCBNSTNK-FPLPWBNLSA-N 0 1 461.027 5.256 50 0 JKAAMN c1ccc(CN2[C@@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000096594050 569742250 /nfs/dbraw/zinc/74/22/50/569742250.db2.gz LZBMMFQTIDLMFA-CZNDPXEESA-N 0 1 483.680 8.619 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000096682211 569742872 /nfs/dbraw/zinc/74/28/72/569742872.db2.gz FKYLWMDMAKAYJI-UHFFFAOYSA-N 0 1 467.585 5.347 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000096828963 569743279 /nfs/dbraw/zinc/74/32/79/569743279.db2.gz DTUUGTHFPJLAHI-QFIPXVFZSA-N 0 1 467.352 5.589 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)C2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000096828963 569743280 /nfs/dbraw/zinc/74/32/80/569743280.db2.gz DTUUGTHFPJLAHI-QFIPXVFZSA-N 0 1 467.352 5.589 50 0 JKAAMN CN1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007033 569747615 /nfs/dbraw/zinc/74/76/15/569747615.db2.gz RJAVOASLMSYNDF-KODJDXEOSA-N 0 1 465.597 6.567 50 0 JKAAMN COc1cccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)c1 ZINC000036007022 569747621 /nfs/dbraw/zinc/74/76/21/569747621.db2.gz RJGOHYJSNQTSDS-QXNCHVGQSA-N 0 1 477.633 6.436 50 0 JKAAMN Cc1ccc2nc(SCC(=O)Nc3nnc(SCc4cccc5ccccc54)s3)[nH]c2c1 ZINC000098087220 569750618 /nfs/dbraw/zinc/75/06/18/569750618.db2.gz RSDNVZJFBKHASO-UHFFFAOYSA-N 0 1 477.640 5.899 50 0 JKAAMN Cc1cccc(CN(Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@H](O)COC(C)C)c1 ZINC000036249913 569758118 /nfs/dbraw/zinc/75/81/18/569758118.db2.gz QIWRTWKMXNEHGY-VWLOTQADSA-N 0 1 465.638 5.283 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000100425303 569760065 /nfs/dbraw/zinc/76/00/65/569760065.db2.gz BTPBNVVOURWSDY-XJFCNFDWSA-N 0 1 488.562 7.690 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100425239 569760080 /nfs/dbraw/zinc/76/00/80/569760080.db2.gz WJBUYSZQSZMZHP-NGOKVRLYSA-N 0 1 456.973 7.300 50 0 JKAAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000100425771 569760202 /nfs/dbraw/zinc/76/02/02/569760202.db2.gz QUTKBWLGWRDVTL-NIYFSFCBSA-N 0 1 492.497 6.808 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccs1 ZINC000100426351 569760398 /nfs/dbraw/zinc/76/03/98/569760398.db2.gz HMONIMRXFALQGK-DNOBIOAJSA-N 0 1 458.583 6.717 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426959 569760501 /nfs/dbraw/zinc/76/05/01/569760501.db2.gz JCNGHFBQADSCAT-ACSYHNTCSA-N 0 1 489.015 8.063 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426955 569760515 /nfs/dbraw/zinc/76/05/15/569760515.db2.gz JCNGHFBQADSCAT-AFJIDDCJSA-N 0 1 489.015 8.063 50 0 JKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)C2CC2)cc1 ZINC000100427203 569760524 /nfs/dbraw/zinc/76/05/24/569760524.db2.gz IWWCADKXPNGOOU-JHOBJCJYSA-N 0 1 478.592 6.964 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000100426976 569760558 /nfs/dbraw/zinc/76/05/58/569760558.db2.gz CBYNEMMKENIHOJ-PPHZAIPVSA-N 0 1 466.562 7.205 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429256 569760738 /nfs/dbraw/zinc/76/07/38/569760738.db2.gz RECBMKIZBSISHS-PBBNMVCDSA-N 0 1 454.570 7.410 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(F)c2)cc1 ZINC000100429700 569760873 /nfs/dbraw/zinc/76/08/73/569760873.db2.gz MDJPGTGLJLUWEZ-WTYVLRPYSA-N 0 1 456.517 6.404 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313743 569760901 /nfs/dbraw/zinc/76/09/01/569760901.db2.gz RWMZXCOTEAMONZ-QHCPKHFHSA-N 0 1 451.611 5.745 50 0 JKAAMN CCCCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313754 569760999 /nfs/dbraw/zinc/76/09/99/569760999.db2.gz XXNDZWHHZFNQOV-XMMPIXPASA-N 0 1 481.637 5.371 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036313806 569761148 /nfs/dbraw/zinc/76/11/48/569761148.db2.gz NQIVJVMOJALAOB-DEOSSOPVSA-N 0 1 463.622 5.330 50 0 JKAAMN CCCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036313814 569761211 /nfs/dbraw/zinc/76/12/11/569761211.db2.gz RRSCRXOWEKDWRV-OAQYLSRUSA-N 0 1 455.574 5.018 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000036313789 569761251 /nfs/dbraw/zinc/76/12/51/569761251.db2.gz RQFDVKMXYCGXIU-HSZRJFAPSA-N 0 1 479.621 5.030 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036313893 569761315 /nfs/dbraw/zinc/76/13/15/569761315.db2.gz HGDIPMHSTXOLGO-QHCPKHFHSA-N 0 1 456.030 6.390 50 0 JKAAMN CCCC[C@H](O)CN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036313885 569761331 /nfs/dbraw/zinc/76/13/31/569761331.db2.gz USVGTIDMDVLVDK-QHCPKHFHSA-N 0 1 493.648 5.760 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036313859 569761390 /nfs/dbraw/zinc/76/13/90/569761390.db2.gz DIIRTXKRUJTIMY-RUZDIDTESA-N 0 1 498.067 6.016 50 0 JKAAMN CCCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036313894 569761394 /nfs/dbraw/zinc/76/13/94/569761394.db2.gz HGDIPMHSTXOLGO-HSZRJFAPSA-N 0 1 456.030 6.390 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313924 569761575 /nfs/dbraw/zinc/76/15/75/569761575.db2.gz MFNYOZNNVBRIDJ-VWLOTQADSA-N 0 1 493.648 5.371 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036316261 569762518 /nfs/dbraw/zinc/76/25/18/569762518.db2.gz JISAFMFSJYIMHA-HSZRJFAPSA-N 0 1 451.611 5.223 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COC(C)C)C(C)C ZINC000036316260 569762527 /nfs/dbraw/zinc/76/25/27/569762527.db2.gz JISAFMFSJYIMHA-QHCPKHFHSA-N 0 1 451.611 5.223 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036316294 569762533 /nfs/dbraw/zinc/76/25/33/569762533.db2.gz ZCQWZTRWKWYYLA-QHCPKHFHSA-N 0 1 451.611 5.225 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036316327 569762676 /nfs/dbraw/zinc/76/26/76/569762676.db2.gz WPZWUBIGYVGIOR-RUZDIDTESA-N 0 1 477.649 5.473 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316280 569762688 /nfs/dbraw/zinc/76/26/88/569762688.db2.gz IPGZGWXTRSFWCX-XMMPIXPASA-N 0 1 465.638 5.615 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](O)COCC(C)C)C(C)C ZINC000036316381 569762723 /nfs/dbraw/zinc/76/27/23/569762723.db2.gz DTYVJACHHDRHDK-XMMPIXPASA-N 0 1 495.664 5.480 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036316512 569763197 /nfs/dbraw/zinc/76/31/97/569763197.db2.gz WCFDRKZNVDXFOB-QHCPKHFHSA-N 0 1 483.628 5.754 50 0 JKAAMN COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000036329844 569763428 /nfs/dbraw/zinc/76/34/28/569763428.db2.gz GTBKEGPOHUAORK-UHFFFAOYSA-N 0 1 469.321 5.194 50 0 JKAAMN Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC000036340144 569763640 /nfs/dbraw/zinc/76/36/40/569763640.db2.gz ACHPRESSJRCCLM-GDLZYMKVSA-N 0 1 492.667 5.077 50 0 JKAAMN CCCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340285 569763783 /nfs/dbraw/zinc/76/37/83/569763783.db2.gz TWOMPAFTSQXIOF-RUZDIDTESA-N 0 1 479.068 5.369 50 0 JKAAMN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341384 569764505 /nfs/dbraw/zinc/76/45/05/569764505.db2.gz ZQSBFGXKJOMGHV-SSEXGKCCSA-N 0 1 495.667 5.944 50 0 JKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036341313 569764511 /nfs/dbraw/zinc/76/45/11/569764511.db2.gz OMYQNRSYLHGXHB-LJAQVGFWSA-N 0 1 485.603 5.467 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036341288 569764529 /nfs/dbraw/zinc/76/45/29/569764529.db2.gz FKEDNLUHXBBLPY-MUUNZHRXSA-N 0 1 473.567 5.597 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341839 569764828 /nfs/dbraw/zinc/76/48/28/569764828.db2.gz XBRJAEIOBDZDPF-HHHXNRCGSA-N 0 1 499.586 5.187 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3cccn3C)C2)cc1C ZINC000036341917 569764848 /nfs/dbraw/zinc/76/48/48/569764848.db2.gz KBQALUFHIZKNTL-GDLZYMKVSA-N 0 1 468.645 5.274 50 0 JKAAMN COc1ccc(OC)c([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036344341 569766924 /nfs/dbraw/zinc/76/69/24/569766924.db2.gz XOGLXGBTOYRBBC-LJAQVGFWSA-N 0 1 497.639 5.336 50 0 JKAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(Cc3ccccc3)CC2)[C@@H](c2cc(C)ccc2C)C1 ZINC000036344689 569767313 /nfs/dbraw/zinc/76/73/13/569767313.db2.gz YAJVTBMQTGATAJ-SSEXGKCCSA-N 0 1 495.667 5.944 50 0 JKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344917 569767428 /nfs/dbraw/zinc/76/74/28/569767428.db2.gz RFZJSKWJXKOXRM-PMERELPUSA-N 0 1 481.640 5.636 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000036345029 569767634 /nfs/dbraw/zinc/76/76/34/569767634.db2.gz BNKKTXYGTLIOSJ-NDEPHWFRSA-N 0 1 472.032 5.972 50 0 JKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036345246 569767818 /nfs/dbraw/zinc/76/78/18/569767818.db2.gz QLYZKAIXINMVOQ-GDLZYMKVSA-N 0 1 469.604 5.767 50 0 JKAAMN COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345181 569767838 /nfs/dbraw/zinc/76/78/38/569767838.db2.gz LZFPDUGSTISATN-LJAQVGFWSA-N 0 1 485.603 5.467 50 0 JKAAMN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036345293 569767840 /nfs/dbraw/zinc/76/78/40/569767840.db2.gz AKEHCNXAEUVSDV-LJAQVGFWSA-N 0 1 481.640 5.636 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000036345208 569767861 /nfs/dbraw/zinc/76/78/61/569767861.db2.gz FMSUETRHAMTEDO-MUUNZHRXSA-N 0 1 455.577 5.458 50 0 JKAAMN COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345182 569767890 /nfs/dbraw/zinc/76/78/90/569767890.db2.gz LZFPDUGSTISATN-GDLZYMKVSA-N 0 1 485.603 5.467 50 0 JKAAMN COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036345645 569767949 /nfs/dbraw/zinc/76/79/49/569767949.db2.gz FNPSIHGFXZHTCJ-PMERELPUSA-N 0 1 481.640 5.636 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036345812 569768196 /nfs/dbraw/zinc/76/81/96/569768196.db2.gz ARUSUZQLTNXFKK-HSZRJFAPSA-N 0 1 483.628 5.753 50 0 JKAAMN COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036345672 569768243 /nfs/dbraw/zinc/76/82/43/569768243.db2.gz VIUBUZABOPXMIQ-WJOKGBTCSA-N 0 1 495.667 5.944 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)Cc1ccccc1)C(C)C ZINC000036345859 569768336 /nfs/dbraw/zinc/76/83/36/569768336.db2.gz QJQOCSXJJFYJCF-HHHXNRCGSA-N 0 1 469.629 6.095 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000036345928 569768552 /nfs/dbraw/zinc/76/85/52/569768552.db2.gz JPOQCYHVNYOBNV-XMMPIXPASA-N 0 1 465.638 5.669 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036346051 569768754 /nfs/dbraw/zinc/76/87/54/569768754.db2.gz DRQZEXFBDUFOHD-QFIPXVFZSA-N 0 1 455.574 5.110 50 0 JKAAMN CCCCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346046 569768782 /nfs/dbraw/zinc/76/87/82/569768782.db2.gz NLCPGBLUOJOKPX-QHCPKHFHSA-N 0 1 469.601 5.502 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346090 569768882 /nfs/dbraw/zinc/76/88/82/569768882.db2.gz SSRSCRGAAYVQAA-XMMPIXPASA-N 0 1 481.612 5.358 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036346294 569769440 /nfs/dbraw/zinc/76/94/40/569769440.db2.gz UQDYIPPOAFIYLA-SANMLTNESA-N 0 1 473.592 5.926 50 0 JKAAMN COC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346504 569769857 /nfs/dbraw/zinc/76/98/57/569769857.db2.gz UUEWOVWFWXVSOK-HSZRJFAPSA-N 0 1 479.621 5.016 50 0 JKAAMN COC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346477 569769893 /nfs/dbraw/zinc/76/98/93/569769893.db2.gz MMBQQZLJSBIPIE-QFIPXVFZSA-N 0 1 467.610 5.014 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COCC(C)C)C(C)C ZINC000036346510 569769905 /nfs/dbraw/zinc/76/99/05/569769905.db2.gz VNUNBOSZXKYTFG-RUZDIDTESA-N 0 1 479.665 5.779 50 0 JKAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346523 569769926 /nfs/dbraw/zinc/76/99/26/569769926.db2.gz ZCQMRZGJTJRQSN-QHCPKHFHSA-N 0 1 451.611 5.143 50 0 JKAAMN CCCN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)COC ZINC000036346498 569769993 /nfs/dbraw/zinc/76/99/93/569769993.db2.gz JWXZFACYNATHHL-JOCHJYFZSA-N 0 1 467.610 5.016 50 0 JKAAMN CCCC[C@@H](O)CN(CCC)Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1 ZINC000036346502 569770002 /nfs/dbraw/zinc/77/00/02/569770002.db2.gz QKNJISXGQMSZFN-XMMPIXPASA-N 0 1 479.665 6.560 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CN(C[C@H](O)COC(C)C)C(C)C ZINC000036346579 569770051 /nfs/dbraw/zinc/77/00/51/569770051.db2.gz QYISATQGIOHHCC-QFIPXVFZSA-N 0 1 473.564 5.248 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346663 569770381 /nfs/dbraw/zinc/77/03/81/569770381.db2.gz HDZUGXYIFBVVSV-QHCPKHFHSA-N 0 1 487.591 5.639 50 0 JKAAMN CCCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346768 569770862 /nfs/dbraw/zinc/77/08/62/569770862.db2.gz HEBPBEQUUQKFTH-HSZRJFAPSA-N 0 1 457.565 6.014 50 0 JKAAMN FC(F)(F)c1ccc([C@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036347352 569771011 /nfs/dbraw/zinc/77/10/11/569771011.db2.gz QYNZFNDAEFLUEU-MHZLTWQESA-N 0 1 462.515 7.295 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccc(F)c2)cc1 ZINC000100903600 569775003 /nfs/dbraw/zinc/77/50/03/569775003.db2.gz ZEIMMRHLHQEASM-ONOMSOESSA-N 0 1 482.555 6.794 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000101097055 569782443 /nfs/dbraw/zinc/78/24/43/569782443.db2.gz JIMDJLIZXQZJMR-JRPXNJEYSA-N 0 1 498.579 6.282 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101131236 569783951 /nfs/dbraw/zinc/78/39/51/569783951.db2.gz RWOJXXMELXBCQV-VJGNERBWSA-N 0 1 486.568 5.234 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccccc2Br)[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000101134715 569784148 /nfs/dbraw/zinc/78/41/48/569784148.db2.gz RCKLVCPXAMYIHO-QFIPXVFZSA-N 0 1 477.358 5.045 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccccc2Br)C2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000101134715 569784150 /nfs/dbraw/zinc/78/41/50/569784150.db2.gz RCKLVCPXAMYIHO-QFIPXVFZSA-N 0 1 477.358 5.045 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101137389 569784305 /nfs/dbraw/zinc/78/43/05/569784305.db2.gz WYSNQLAPGDPWBR-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2nc2c1CCCC2 ZINC000101193361 569786840 /nfs/dbraw/zinc/78/68/40/569786840.db2.gz RSHIZZDDXSVHPJ-UHFFFAOYSA-N 0 1 489.978 6.840 50 0 JKAAMN COc1cc(CN2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000037559940 569795530 /nfs/dbraw/zinc/79/55/30/569795530.db2.gz MHAUCZSKXQTKTI-UHFFFAOYSA-N 0 1 462.565 5.463 50 0 JKAAMN Cc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037570553 569795661 /nfs/dbraw/zinc/79/56/61/569795661.db2.gz UKYKHCSVHDPRHH-UHFFFAOYSA-N 0 1 456.558 5.133 50 0 JKAAMN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000037570660 569795670 /nfs/dbraw/zinc/79/56/70/569795670.db2.gz LYXQRGLPXITFPP-UHFFFAOYSA-N 0 1 460.574 5.024 50 0 JKAAMN COc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000037560594 569795712 /nfs/dbraw/zinc/79/57/12/569795712.db2.gz LOHHVAIMXWOENJ-UHFFFAOYSA-N 0 1 489.012 5.348 50 0 JKAAMN COc1ccc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3cccc(OC)c3)CC2)cc1 ZINC000037570528 569795735 /nfs/dbraw/zinc/79/57/35/569795735.db2.gz FFAOIUZFYPJRHL-UHFFFAOYSA-N 0 1 464.993 5.669 50 0 JKAAMN Cc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000037570700 569795941 /nfs/dbraw/zinc/79/59/41/569795941.db2.gz IBIYCLVAPODJGX-UHFFFAOYSA-N 0 1 452.595 5.302 50 0 JKAAMN COc1cccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000037572180 569795951 /nfs/dbraw/zinc/79/59/51/569795951.db2.gz RAHAWFAHOGWLMJ-UHFFFAOYSA-N 0 1 464.631 5.172 50 0 JKAAMN COc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037570691 569795953 /nfs/dbraw/zinc/79/59/53/569795953.db2.gz GAPDCEZBDAXBEO-UHFFFAOYSA-N 0 1 489.012 5.348 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000101406702 569796802 /nfs/dbraw/zinc/79/68/02/569796802.db2.gz UCTPCJLQWHNNDW-WBBHLRKXSA-N 0 1 479.624 7.520 50 0 JKAAMN CCOc1ccc(C(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000101431987 569797525 /nfs/dbraw/zinc/79/75/25/569797525.db2.gz SDXKOTQBFNENTH-UHFFFAOYSA-N 0 1 467.569 6.517 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2nc2c1CCCC2 ZINC000101431713 569797580 /nfs/dbraw/zinc/79/75/80/569797580.db2.gz APYRPZGMMDMOIW-UHFFFAOYSA-N 0 1 471.988 6.700 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000101450669 569797806 /nfs/dbraw/zinc/79/78/06/569797806.db2.gz BKBUFVXDVCDGQC-MMTVBGGISA-N 0 1 456.517 6.404 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101462788 569798524 /nfs/dbraw/zinc/79/85/24/569798524.db2.gz PDQQYUJKMNUPKN-ONOMSOESSA-N 0 1 482.555 6.794 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101468001 569798779 /nfs/dbraw/zinc/79/87/79/569798779.db2.gz RSNIEKVOYQDHIZ-UGDMGKLASA-N 0 1 496.626 8.083 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3cccc(Cl)c3)ccc2nc2c1CCCC2 ZINC000101495411 569800432 /nfs/dbraw/zinc/80/04/32/569800432.db2.gz BLLWGCGYUYHPTL-UHFFFAOYSA-N 0 1 457.961 6.772 50 0 JKAAMN Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3O)=Nc3ccccc3S2)s1 ZINC000101495224 569800518 /nfs/dbraw/zinc/80/05/18/569800518.db2.gz MXOCOOQGPKHKGM-FQEVSTJZSA-N 0 1 496.013 5.613 50 0 JKAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000101495599 569800687 /nfs/dbraw/zinc/80/06/87/569800687.db2.gz YGLXUJGHDGYASX-OAQYLSRUSA-N 0 1 475.957 5.243 50 0 JKAAMN CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546295 569802734 /nfs/dbraw/zinc/80/27/34/569802734.db2.gz CBCRUUGJNTUDIC-XMMPIXPASA-N 0 1 468.619 5.994 50 0 JKAAMN CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000038546293 569802740 /nfs/dbraw/zinc/80/27/40/569802740.db2.gz WOZNNWDEOQBOHT-XMMPIXPASA-N 0 1 452.620 6.376 50 0 JKAAMN CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000038546294 569802794 /nfs/dbraw/zinc/80/27/94/569802794.db2.gz WOZNNWDEOQBOHT-DEOSSOPVSA-N 0 1 452.620 6.376 50 0 JKAAMN COc1ccc(OC)c([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)c1 ZINC000038546271 569802832 /nfs/dbraw/zinc/80/28/32/569802832.db2.gz MWYKYBAHRWLKHD-HSZRJFAPSA-N 0 1 454.592 5.740 50 0 JKAAMN CC1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546336 569802981 /nfs/dbraw/zinc/80/29/81/569802981.db2.gz XBDBQDAHCLOUCC-VWLOTQADSA-N 0 1 478.614 6.022 50 0 JKAAMN CCOC(=O)C1CCN([C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546396 569803052 /nfs/dbraw/zinc/80/30/52/569803052.db2.gz AAMSITXGHIMDHQ-QHCPKHFHSA-N 0 1 498.670 5.898 50 0 JKAAMN CCc1cc([C@@H](c2ccc(SC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546547 569803246 /nfs/dbraw/zinc/80/32/46/569803246.db2.gz CRXCROQPGDAWQM-HSZRJFAPSA-N 0 1 469.676 5.605 50 0 JKAAMN CCN1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2OC)CC1 ZINC000038546571 569803319 /nfs/dbraw/zinc/80/33/19/569803319.db2.gz MGQGFUBPCRZNIT-VWLOTQADSA-N 0 1 479.646 5.208 50 0 JKAAMN CCN1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(Cl)cc2)CC1 ZINC000038546573 569803325 /nfs/dbraw/zinc/80/33/25/569803325.db2.gz AMBSIHMORPXGKG-DEOSSOPVSA-N 0 1 484.065 5.853 50 0 JKAAMN CCN1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546584 569803396 /nfs/dbraw/zinc/80/33/96/569803396.db2.gz DUPHZINDDKLWSV-XMMPIXPASA-N 0 1 467.610 5.338 50 0 JKAAMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)cc2OC)CC1 ZINC000038546798 569803640 /nfs/dbraw/zinc/80/36/40/569803640.db2.gz AHEAMRYZEWESIX-DEOSSOPVSA-N 0 1 499.702 5.423 50 0 JKAAMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(Cl)c2)CC1 ZINC000038546776 569803656 /nfs/dbraw/zinc/80/36/56/569803656.db2.gz HDHCXBKPSKGHQI-JOCHJYFZSA-N 0 1 474.095 6.059 50 0 JKAAMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)c(OC)c2)CC1 ZINC000038546797 569803704 /nfs/dbraw/zinc/80/37/04/569803704.db2.gz YPINCPKIPYFPKL-XMMPIXPASA-N 0 1 499.702 5.423 50 0 JKAAMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000038546773 569803735 /nfs/dbraw/zinc/80/37/35/569803735.db2.gz NSXFCNGNKKRJHK-QFIPXVFZSA-N 0 1 474.095 6.059 50 0 JKAAMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(SC)cc2)CC1 ZINC000038546793 569803758 /nfs/dbraw/zinc/80/37/58/569803758.db2.gz BWGITFGYURLVOQ-HSZRJFAPSA-N 0 1 485.744 6.128 50 0 JKAAMN Cc1cc(C)cc(-n2c(O)c(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)c(=O)[nH]c2=O)c1 ZINC000101766794 569805085 /nfs/dbraw/zinc/80/50/85/569805085.db2.gz SUALRPWAXMYCHE-HSZRJFAPSA-N 0 1 469.566 5.206 50 0 JKAAMN COc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1Cl ZINC000101827949 569805306 /nfs/dbraw/zinc/80/53/06/569805306.db2.gz MSSJCWZCAPYMPH-UHFFFAOYSA-N 0 1 472.932 5.350 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(OCc3ccccc3)cc2)N1Cc1cccnc1 ZINC000038609907 569805482 /nfs/dbraw/zinc/80/54/82/569805482.db2.gz BVFNBIXVFFOGAU-GDLZYMKVSA-N 0 1 488.547 5.502 50 0 JKAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n[nH]1 ZINC000038655049 569806072 /nfs/dbraw/zinc/80/60/72/569806072.db2.gz SUOMYBXOQZXRNG-UHFFFAOYSA-N 0 1 481.984 5.264 50 0 JKAAMN O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000039516004 569810184 /nfs/dbraw/zinc/81/01/84/569810184.db2.gz QMVAWGWAQABMGF-RSXGOPAZSA-N 0 1 488.538 5.141 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C(c1nc3ccccc3s1)C(c1ccccc1)=N2 ZINC000102152263 569810258 /nfs/dbraw/zinc/81/02/58/569810258.db2.gz RKJDUPAEARQCQH-HHHXNRCGSA-N 0 1 497.627 7.311 50 0 JKAAMN C[N@H+](Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000040030707 569814293 /nfs/dbraw/zinc/81/42/93/569814293.db2.gz QJDDZSAMVCIPBS-UHFFFAOYSA-N 0 1 495.620 5.643 50 0 JKAAMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000040030707 569814294 /nfs/dbraw/zinc/81/42/94/569814294.db2.gz QJDDZSAMVCIPBS-UHFFFAOYSA-N 0 1 495.620 5.643 50 0 JKAAMN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000102643698 569814794 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/nfs/dbraw/zinc/83/88/78/569838878.db2.gz USENRTCOTYBRBB-NDEPHWFRSA-N 0 1 497.664 7.748 50 0 JKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000104162500 569842241 /nfs/dbraw/zinc/84/22/41/569842241.db2.gz QZLUIQHNJIWQCR-GYCJOSAFSA-N 0 1 482.458 6.401 50 0 JKAAMN CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982619 569847909 /nfs/dbraw/zinc/84/79/09/569847909.db2.gz CURVSYVAOPJFFZ-NHCUHLMSSA-N 0 1 483.411 5.161 50 0 JKAAMN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982703 569847972 /nfs/dbraw/zinc/84/79/72/569847972.db2.gz QJBASNOVBDTTFL-JWQCQUIFSA-N 0 1 464.993 5.084 50 0 JKAAMN CC(C)COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982631 569848020 /nfs/dbraw/zinc/84/80/20/569848020.db2.gz KMMQLZZSBAWRJE-NHCUHLMSSA-N 0 1 499.866 5.676 50 0 JKAAMN O[C@@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984425 569848472 /nfs/dbraw/zinc/84/84/72/569848472.db2.gz OINASEFJJGMISZ-CLJLJLNGSA-N 0 1 482.983 5.052 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000106536112 569854329 /nfs/dbraw/zinc/85/43/29/569854329.db2.gz SYPXQUYAKSOJLY-LCQQBMRFSA-N 0 1 496.994 5.601 50 0 JKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000108521389 569859514 /nfs/dbraw/zinc/85/95/14/569859514.db2.gz FYVWOXLHBWEHRJ-PCEYSVKOSA-N 0 1 494.566 5.414 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[nH]c2c1 ZINC000118915777 569863017 /nfs/dbraw/zinc/86/30/17/569863017.db2.gz PNDIQIYGAYXTNR-DCNIXBSDSA-N 0 1 462.722 7.460 50 0 JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)[nH]c2c1 ZINC000118915778 569863033 /nfs/dbraw/zinc/86/30/33/569863033.db2.gz YBTASYSZWGVCAL-MGNHSKJGSA-N 0 1 478.721 6.431 50 0 JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[nH]c2c1 ZINC000118915774 569863077 /nfs/dbraw/zinc/86/30/77/569863077.db2.gz PNDIQIYGAYXTNR-KDZANLDASA-N 0 1 462.722 7.460 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137666813 569865209 /nfs/dbraw/zinc/86/52/09/569865209.db2.gz WYSNQLAPGDPWBR-OYUWMTPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678891 569869288 /nfs/dbraw/zinc/86/92/88/569869288.db2.gz ABALIXCKRIRJDL-ZJSXRUAMSA-N 0 1 465.638 5.750 50 0 JKAAMN O[C@@H](COCc1ccco1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169679599 569869843 /nfs/dbraw/zinc/86/98/43/569869843.db2.gz DVHMFWPEHCPBRK-IRLDBZIGSA-N 0 1 489.399 5.159 50 0 JKAAMN CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169680070 569870128 /nfs/dbraw/zinc/87/01/28/569870128.db2.gz BXADOLCVXISLDC-LADGPHEKSA-N 0 1 495.664 5.522 50 0 JKAAMN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681935 569870995 /nfs/dbraw/zinc/87/09/95/569870995.db2.gz XRYZNNMREQSSSX-RSXGOPAZSA-N 0 1 497.536 5.024 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000226838333 570038737 /nfs/dbraw/zinc/03/87/37/570038737.db2.gz BHILAFPBTYDLPB-TXQUNOLYSA-N 0 1 496.994 5.601 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000226842637 570038932 /nfs/dbraw/zinc/03/89/32/570038932.db2.gz KSVSTAIYMSQLPT-WXFUMESZSA-N 0 1 495.406 6.342 50 0 JKAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccc(OCCC)cc3)c(O)c2ON1c1ccccc1 ZINC000226987047 570039765 /nfs/dbraw/zinc/03/97/65/570039765.db2.gz VEZFHJVGNZZXTO-JNSABCDYSA-N 0 1 450.579 5.370 50 0 JKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000229692231 570041007 /nfs/dbraw/zinc/04/10/07/570041007.db2.gz MJIMMXRDPQQIMF-MVPDCNEZSA-N 0 1 482.605 5.337 50 0 JKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(F)c1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000229954725 570042632 /nfs/dbraw/zinc/04/26/32/570042632.db2.gz MHLNKFGUIRISRN-ISJGIBHGSA-N 0 1 472.903 5.683 50 0 JKAAMN C[C@@]12C(=O)[C@@H]([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000239287402 570050118 /nfs/dbraw/zinc/05/01/18/570050118.db2.gz CRZYYNZUSNTEQP-BYKDOIGYSA-N 0 1 458.605 6.350 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000239432938 570052074 /nfs/dbraw/zinc/05/20/74/570052074.db2.gz WYEYBWIORLZCAK-ALTZYDRJSA-N 0 1 464.496 5.199 50 0 JKAAMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000239432938 570052075 /nfs/dbraw/zinc/05/20/75/570052075.db2.gz WYEYBWIORLZCAK-ALTZYDRJSA-N 0 1 464.496 5.199 50 0 JKAAMN CN(Cc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)Cc1cccnc1 ZINC000239807543 570052695 /nfs/dbraw/zinc/05/26/95/570052695.db2.gz CSVXGGGVLNWVAD-HNKWHGCMSA-N 0 1 462.037 6.165 50 0 JKAAMN 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HUJYFHYFWRGPRX-UHFFFAOYSA-N 0 1 486.597 5.055 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCC2)cc1 ZINC000003347552 194294208 /nfs/dbraw/zinc/29/42/08/194294208.db2.gz JUJOIIRNEAIGDF-OAQYLSRUSA-N 0 1 471.395 5.469 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000003343507 194291795 /nfs/dbraw/zinc/29/17/95/194291795.db2.gz JAMAELAJRGFQDN-UHFFFAOYSA-N 0 1 458.168 5.272 50 0 JKAAMN CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(Cl)cc2Cl)cc1 ZINC000003370231 194305145 /nfs/dbraw/zinc/30/51/45/194305145.db2.gz JMKDOLYWOKXHPG-UHFFFAOYSA-N 0 1 496.347 5.144 50 0 JKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000003451507 194329261 /nfs/dbraw/zinc/32/92/61/194329261.db2.gz FTXIZDSRSPYBAS-UHFFFAOYSA-N 0 1 464.978 5.132 50 0 JKAAMN CCOc1ccc(N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000003667438 194357202 /nfs/dbraw/zinc/35/72/02/194357202.db2.gz NJOYEDOTPZAETR-NDEPHWFRSA-N 0 1 470.613 6.865 50 0 JKAAMN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000009244641 194629598 /nfs/dbraw/zinc/62/95/98/194629598.db2.gz GYBMJMBEIPGQRW-XMMPIXPASA-N 0 1 459.546 5.184 50 0 JKAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009409109 194752743 /nfs/dbraw/zinc/75/27/43/194752743.db2.gz FDMILFAJWSIMLM-MUUNZHRXSA-N 0 1 483.568 5.935 50 0 JKAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000009942144 195029635 /nfs/dbraw/zinc/02/96/35/195029635.db2.gz ROZVOUCOUGLPJH-UHFFFAOYSA-N 0 1 462.638 5.747 50 0 JKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000009942456 195029911 /nfs/dbraw/zinc/02/99/11/195029911.db2.gz IOAAGMODFQBWHJ-UHFFFAOYSA-N 0 1 480.609 5.100 50 0 JKAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccc4ccccc4c3)nn2[C@@H]1c1cccs1 ZINC000009942692 195030181 /nfs/dbraw/zinc/03/01/81/195030181.db2.gz QJWRYFRVUFGSPZ-OAQYLSRUSA-N 0 1 462.600 5.637 50 0 JKAAMN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C(C)C)ccc1Cl ZINC000009942819 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YZURFXQPECBZHD-VXGBXAGGSA-N 0 1 451.379 5.145 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)N2CCCC2)cc1 ZINC000012766577 195114205 /nfs/dbraw/zinc/11/42/05/195114205.db2.gz GOTSRRURDJYPOW-FQEVSTJZSA-N 0 1 476.602 5.144 50 0 JKAAMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000012887072 195170897 /nfs/dbraw/zinc/17/08/97/195170897.db2.gz SQKVIKGSSAAOIV-DTQAZKPQSA-N 0 1 458.562 5.435 50 0 JKAAMN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)CN(CC(C)C)C1CC1 ZINC000012898438 195176298 /nfs/dbraw/zinc/17/62/98/195176298.db2.gz NNOMRIRMCRPKQL-UHFFFAOYSA-N 0 1 485.650 5.161 50 0 JKAAMN O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020727116 195208032 /nfs/dbraw/zinc/20/80/32/195208032.db2.gz QATBSUGUSYASKQ-XCLFUZPHSA-N 0 1 470.392 5.545 50 0 JKAAMN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000020766704 195221989 /nfs/dbraw/zinc/22/19/89/195221989.db2.gz SMOZLPRVDQYNKP-UHFFFAOYSA-N 0 1 489.619 5.592 50 0 JKAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000020868188 195235034 /nfs/dbraw/zinc/23/50/34/195235034.db2.gz LVGRPCIGZMRZCD-SANMLTNESA-N 0 1 473.529 5.145 50 0 JKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000020868192 195235139 /nfs/dbraw/zinc/23/51/39/195235139.db2.gz LVGRPCIGZMRZCD-AREMUKBSSA-N 0 1 473.529 5.145 50 0 JKAAMN Clc1ccc(COc2ccc(CNCc3ccccc3Cl)cc2Br)cc1 ZINC000020876431 195236087 /nfs/dbraw/zinc/23/60/87/195236087.db2.gz XUOTYENVNWNYOR-UHFFFAOYSA-N 0 1 451.191 6.625 50 0 JKAAMN CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020893110 195237928 /nfs/dbraw/zinc/23/79/28/195237928.db2.gz KRGAPUYECAIGGF-UHFFFAOYSA-N 0 1 481.644 5.325 50 0 JKAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)cc12 ZINC000021103630 195276794 /nfs/dbraw/zinc/27/67/94/195276794.db2.gz AGNISQUYNIUBRV-UHFFFAOYSA-N 0 1 479.049 5.691 50 0 JKAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)cc12 ZINC000021103643 195276914 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CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036308552 521679221 /nfs/dbraw/zinc/67/92/21/521679221.db2.gz VEGMDYDQFIDDNV-HSZRJFAPSA-N 0 1 451.611 5.361 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](O)CC ZINC000036301869 521679618 /nfs/dbraw/zinc/67/96/18/521679618.db2.gz GVMFPSODNFGYMC-OAQYLSRUSA-N 0 1 458.002 5.618 50 0 JKAAMN CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccn1C ZINC000036154692 521682996 /nfs/dbraw/zinc/68/29/96/521682996.db2.gz BJZJUXCHUMDLFT-UHFFFAOYSA-N 0 1 450.529 5.593 50 0 JKAAMN CCCN(Cc1ccsc1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202921 521692218 /nfs/dbraw/zinc/69/22/18/521692218.db2.gz JZWWYELUMHOTDW-UHFFFAOYSA-N 0 1 477.626 6.055 50 0 JKAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N[C@H]4CCCc5ccccc54)ccc3n2)CC1 ZINC000020153647 521696614 /nfs/dbraw/zinc/69/66/14/521696614.db2.gz HBUMPMJNLBRUCT-DEOSSOPVSA-N 0 1 459.663 5.049 50 0 JKAAMN CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(C)c2)n1 ZINC000008612081 521787851 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Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036304116 527548621 /nfs/dbraw/zinc/54/86/21/527548621.db2.gz MYUBMWHAOHVOHS-QFIPXVFZSA-N 0 1 487.591 5.638 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036304111 527548866 /nfs/dbraw/zinc/54/88/66/527548866.db2.gz JTCVPKWXHYBSCD-QHCPKHFHSA-N 0 1 487.591 5.495 50 0 JKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)CCC1CCCC1 ZINC000034834631 527549017 /nfs/dbraw/zinc/54/90/17/527549017.db2.gz CFTVQFROWOZLNT-UHFFFAOYSA-N 0 1 479.713 5.278 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036303711 527549104 /nfs/dbraw/zinc/54/91/04/527549104.db2.gz TUAGGNCXTBNZBE-QHCPKHFHSA-N 0 1 486.056 6.013 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@@H](O)COCC(C)C)C(C)C ZINC000036304113 527549116 /nfs/dbraw/zinc/54/91/16/527549116.db2.gz JTCVPKWXHYBSCD-HSZRJFAPSA-N 0 1 487.591 5.495 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036304268 527549624 /nfs/dbraw/zinc/54/96/24/527549624.db2.gz GLODMFCMPDQEDQ-DEOSSOPVSA-N 0 1 499.602 5.497 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036304755 527550843 /nfs/dbraw/zinc/55/08/43/527550843.db2.gz KCCBAJSOTCMNBK-VWLOTQADSA-N 0 1 465.638 5.525 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036308677 527550994 /nfs/dbraw/zinc/55/09/94/527550994.db2.gz AEJUVXCVKOKZHF-DEOSSOPVSA-N 0 1 463.622 5.361 50 0 JKAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145988 527658130 /nfs/dbraw/zinc/65/81/30/527658130.db2.gz DWKHZXSILPDTFP-FTJBHMTQSA-N 0 1 499.438 5.566 50 0 JKAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146120 527658170 /nfs/dbraw/zinc/65/81/70/527658170.db2.gz ZMBILRAWYDXLTA-FTJBHMTQSA-N 0 1 482.983 5.052 50 0 JKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000008599235 527667307 /nfs/dbraw/zinc/66/73/07/527667307.db2.gz GFRYBSPKSXEONC-UHFFFAOYSA-N 0 1 483.012 5.184 50 0 JKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000008611529 527667854 /nfs/dbraw/zinc/66/78/54/527667854.db2.gz BYLWPVVZCIGZMJ-UHFFFAOYSA-N 0 1 489.019 5.014 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102788876 535319268 /nfs/dbraw/zinc/31/92/68/535319268.db2.gz HDHAPOSOUVHWBS-XDBZFTIUSA-N 0 1 472.541 6.257 50 0 JKAAMN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccco3)C2)cc1 ZINC000102880837 535688584 /nfs/dbraw/zinc/68/85/84/535688584.db2.gz ICBIFIRGGVRYHU-LGGPFLRQSA-N 0 1 469.585 6.696 50 0 JKAAMN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000000629449 553716684 /nfs/dbraw/zinc/71/66/84/553716684.db2.gz SOMFGPTZFMWHNG-UHFFFAOYSA-N 0 1 454.360 5.179 50 0 JKAAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000000661267 553739564 /nfs/dbraw/zinc/73/95/64/553739564.db2.gz KZIBUPZZAYHOAS-PDGQHHTCSA-N 0 1 459.424 5.307 50 0 JKAAMN COc1ccc(C(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC000000719274 553771206 /nfs/dbraw/zinc/77/12/06/553771206.db2.gz ZMVLZVNCSLJUPH-UHFFFAOYSA-N 0 1 473.978 5.571 50 0 JKAAMN CC1(C)Cc2oc3c(cc(NS(=O)(=O)c4ccc5ccccc5c4)c4ccccc34)c2C(=O)C1 ZINC000000834444 553791442 /nfs/dbraw/zinc/79/14/42/553791442.db2.gz DGRFMIBTNJTHDA-UHFFFAOYSA-N 0 1 469.562 6.695 50 0 JKAAMN CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000000942851 553877819 /nfs/dbraw/zinc/87/78/19/553877819.db2.gz YSLQGMCBHFDPRO-UHFFFAOYSA-N 0 1 496.633 5.009 50 0 JKAAMN CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944095 553878423 /nfs/dbraw/zinc/87/84/23/553878423.db2.gz XSDQVGQIZKDGDN-ZDUSSCGKSA-N 0 1 452.403 6.691 50 0 JKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001167243 553920775 /nfs/dbraw/zinc/92/07/75/553920775.db2.gz AQSZNKAPVAYYBH-UHFFFAOYSA-N 0 1 465.358 5.364 50 0 JKAAMN CC[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000001320131 553941588 /nfs/dbraw/zinc/94/15/88/553941588.db2.gz TXVNNFDXQZFMBQ-MFQNCIFPSA-N 0 1 464.993 5.915 50 0 JKAAMN O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000002061306 554017372 /nfs/dbraw/zinc/01/73/72/554017372.db2.gz WCEJIXJTDXVYDJ-OAQYLSRUSA-N 0 1 474.185 6.840 50 0 JKAAMN Cc1cc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000002142855 554064766 /nfs/dbraw/zinc/06/47/66/554064766.db2.gz VAOWYJHLVUVUBH-UHFFFAOYSA-N 0 1 490.330 7.222 50 0 JKAAMN Cc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nn(CCN2CCCC2)c3=O)cc1 ZINC000002181164 554079938 /nfs/dbraw/zinc/07/99/38/554079938.db2.gz QAUDMPBLBYVOQD-UHFFFAOYSA-N 0 1 475.596 5.320 50 0 JKAAMN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CNCc1ccccc1 ZINC000002190295 554085525 /nfs/dbraw/zinc/08/55/25/554085525.db2.gz UOXOMEICDXOGON-UHFFFAOYSA-N 0 1 493.401 5.868 50 0 biogenic JKAAMN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000002219642 554099862 /nfs/dbraw/zinc/09/98/62/554099862.db2.gz QEECWERQPVQDHB-UHFFFAOYSA-N 0 1 467.319 5.543 50 0 JKAAMN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000002257063 554119597 /nfs/dbraw/zinc/11/95/97/554119597.db2.gz WIRRZFQEBKMZHQ-QGZVFWFLSA-N 0 1 468.781 5.022 50 0 JKAAMN O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000002321134 554147528 /nfs/dbraw/zinc/14/75/28/554147528.db2.gz OPKUBMIVQJGYPI-NRFANRHFSA-N 0 1 462.393 6.808 50 0 JKAAMN O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000002321133 554147562 /nfs/dbraw/zinc/14/75/62/554147562.db2.gz OPKUBMIVQJGYPI-OAQYLSRUSA-N 0 1 462.393 6.808 50 0 JKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000002338594 554155286 /nfs/dbraw/zinc/15/52/86/554155286.db2.gz VPDMIFBMKKHBHS-NRFANRHFSA-N 0 1 484.191 6.296 50 0 JKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Br)cc3Cl)n2)c1O ZINC000002402480 554186627 /nfs/dbraw/zinc/18/66/27/554186627.db2.gz HYYSDWMGYRQBNF-UHFFFAOYSA-N 0 1 457.711 6.219 50 0 JKAAMN CCc1cc([C@@H](c2ccc(SC)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551837 554235346 /nfs/dbraw/zinc/23/53/46/554235346.db2.gz OAWPJRLFONLYJG-RUZDIDTESA-N 0 1 464.700 7.106 50 0 JKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)n1 ZINC000002620528 554245154 /nfs/dbraw/zinc/24/51/54/554245154.db2.gz RNQJORZKKSFYDU-UHFFFAOYSA-N 0 1 456.955 5.168 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccccc1Cc1ccccc1 ZINC000002621084 554245675 /nfs/dbraw/zinc/24/56/75/554245675.db2.gz QNCJMAHYXSQAJH-UHFFFAOYSA-N 0 1 479.403 5.556 50 0 JKAAMN CN(C(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)C(c1ccccc1)c1ccccc1 ZINC000002625724 554249680 /nfs/dbraw/zinc/24/96/80/554249680.db2.gz QHRRAWQCSMTVAS-UHFFFAOYSA-N 0 1 483.424 6.119 50 0 JKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000002652239 554268066 /nfs/dbraw/zinc/26/80/66/554268066.db2.gz RWGWRQYNROEDEK-UHFFFAOYSA-N 0 1 493.032 5.497 50 0 JKAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1Cc1ccco1 ZINC000002662666 554275877 /nfs/dbraw/zinc/27/58/77/554275877.db2.gz CYTZMYLFXHRGHA-UHFFFAOYSA-N 0 1 471.380 5.269 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002785305 554344113 /nfs/dbraw/zinc/34/41/13/554344113.db2.gz QCVIRPUYBZGICY-FQEVSTJZSA-N 0 1 478.401 5.459 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000002855899 554382863 /nfs/dbraw/zinc/38/28/63/554382863.db2.gz ODDCVQMVRJOKCL-UHFFFAOYSA-N 0 1 482.414 5.612 50 0 JKAAMN CCOc1cc(CN[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000002861483 554388204 /nfs/dbraw/zinc/38/82/04/554388204.db2.gz OEFPJCFUICAPJC-SFHVURJKSA-N 0 1 483.406 5.716 50 0 JKAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1 ZINC000002875896 554398433 /nfs/dbraw/zinc/39/84/33/554398433.db2.gz ZQJTYJZLKBRKPC-UHFFFAOYSA-N 0 1 491.012 6.677 50 0 aggregator JKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)cc1 ZINC000002878090 554399963 /nfs/dbraw/zinc/39/99/63/554399963.db2.gz QCVSSOSIRGQYTH-UHFFFAOYSA-N 0 1 475.035 5.112 50 0 JKAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1Cl ZINC000002881833 554404308 /nfs/dbraw/zinc/40/43/08/554404308.db2.gz MOFDFJVCOPWJJX-UHFFFAOYSA-N 0 1 465.358 5.364 50 0 JKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2Cl)cc1C ZINC000002886553 554406727 /nfs/dbraw/zinc/40/67/27/554406727.db2.gz BPJGMXRPGQNREV-UHFFFAOYSA-N 0 1 471.022 6.442 50 0 JKAAMN COc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000002921507 554410925 /nfs/dbraw/zinc/41/09/25/554410925.db2.gz SSTFTPLFYRDTME-UHFFFAOYSA-N 0 1 464.590 7.579 50 0 JKAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1cccc(Cl)c1 ZINC000002973892 554414457 /nfs/dbraw/zinc/41/44/57/554414457.db2.gz VDHWECXYFBGFEO-UHFFFAOYSA-N 0 1 494.842 5.352 50 0 JKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000003229434 554434285 /nfs/dbraw/zinc/43/42/85/554434285.db2.gz FLMXTEAQSZAKLG-UHFFFAOYSA-N 0 1 495.815 5.646 50 0 JKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)n1 ZINC000003376922 554460599 /nfs/dbraw/zinc/46/05/99/554460599.db2.gz WMYNEPBCGUZJHQ-UHFFFAOYSA-N 0 1 481.021 5.770 50 0 JKAAMN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN1CCCC1 ZINC000005222214 554487494 /nfs/dbraw/zinc/48/74/94/554487494.db2.gz VYUQRLYKYWEPHX-UHFFFAOYSA-N 0 1 457.368 5.174 50 0 biogenic JKAAMN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006017205 554499738 /nfs/dbraw/zinc/49/97/38/554499738.db2.gz BEHYGSJDWJNPTA-UHFFFAOYSA-N 0 1 486.528 5.422 50 0 JKAAMN O=C(Nc1cccc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006147275 554511074 /nfs/dbraw/zinc/51/10/74/554511074.db2.gz BLSAUQJTRYBJKJ-UHFFFAOYSA-N 0 1 481.371 5.655 50 0 JKAAMN CCOc1ccccc1-c1n[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000006573740 554551728 /nfs/dbraw/zinc/55/17/28/554551728.db2.gz CYBZUOZWKPKWOI-UHFFFAOYSA-N 0 1 460.584 5.792 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006974322 554562955 /nfs/dbraw/zinc/56/29/55/554562955.db2.gz DIQRTQNXRTYIFR-UHFFFAOYSA-N 0 1 481.714 6.182 50 0 JKAAMN CCCc1oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2c1C(=O)OCC ZINC000008439269 554590608 /nfs/dbraw/zinc/59/06/08/554590608.db2.gz DQBFTENQKTYJAX-UHFFFAOYSA-N 0 1 456.347 5.670 50 0 JKAAMN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000008445402 554594683 /nfs/dbraw/zinc/59/46/83/554594683.db2.gz NWYQFQLMMDMYBM-QGZVFWFLSA-N 0 1 496.269 5.016 50 0 JKAAMN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000008445401 554594689 /nfs/dbraw/zinc/59/46/89/554594689.db2.gz NWYQFQLMMDMYBM-KRWDZBQOSA-N 0 1 496.269 5.016 50 0 JKAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OCc3csc(C)n3)c2)CC1 ZINC000008747397 554650575 /nfs/dbraw/zinc/65/05/75/554650575.db2.gz VMQWEQGDQCBMTH-UHFFFAOYSA-N 0 1 471.026 5.078 50 0 JKAAMN COc1ccc(C=CC2=C[C@]([O-])(C(F)(F)F)N(c3nc(-c4ccc(F)cc4)cs3)[NH2+]2)cc1 ZINC000008754091 554655949 /nfs/dbraw/zinc/65/59/49/554655949.db2.gz KNZLPCKSGUOLNU-ZEOAKLJRSA-N 0 1 463.456 5.488 50 0 JKAAMN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000008770411 554670756 /nfs/dbraw/zinc/67/07/56/554670756.db2.gz LPPUYAXUKHLNLM-AREMUKBSSA-N 0 1 499.611 5.248 50 0 JKAAMN COc1ccc([C@@H](CC(=O)NCc2ccccc2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000008830499 554720358 /nfs/dbraw/zinc/72/03/58/554720358.db2.gz MCZOVTKCVKVDIG-JOCHJYFZSA-N 0 1 479.005 5.674 50 0 aggregator JKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000008845298 554742054 /nfs/dbraw/zinc/74/20/54/554742054.db2.gz WJVKJKPDAOSSEO-MUUNZHRXSA-N 0 1 467.569 5.749 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845260 554742059 /nfs/dbraw/zinc/74/20/59/554742059.db2.gz PCIPXFMKMDJIMZ-HHHXNRCGSA-N 0 1 487.556 5.617 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845346 554742257 /nfs/dbraw/zinc/74/22/57/554742257.db2.gz WHEPCUCJZRVPQC-GDLZYMKVSA-N 0 1 497.595 5.758 50 0 JKAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccccc3)[nH]n2)c1 ZINC000008845374 554742332 /nfs/dbraw/zinc/74/23/32/554742332.db2.gz AMLXRKXQYIMTPO-UHFFFAOYSA-N 0 1 452.470 5.342 50 0 JKAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000008845338 554742389 /nfs/dbraw/zinc/74/23/89/554742389.db2.gz LKFUEUGKBULPML-MUUNZHRXSA-N 0 1 483.568 5.773 50 0 JKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)ccc1OCC(C)C ZINC000008845321 554742395 /nfs/dbraw/zinc/74/23/95/554742395.db2.gz NYUKICTWULXERX-MHZLTWQESA-N 0 1 493.604 5.186 50 0 JKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000008845385 554742510 /nfs/dbraw/zinc/74/25/10/554742510.db2.gz KDYONYRWJRHLTO-RUZDIDTESA-N 0 1 493.922 5.343 50 0 JKAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000008845436 554742649 /nfs/dbraw/zinc/74/26/49/554742649.db2.gz DMAXPADMIMUEPR-MHZLTWQESA-N 0 1 484.556 5.110 50 0 JKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCOC(C)C)ccc1O ZINC000008845501 554742858 /nfs/dbraw/zinc/74/28/58/554742858.db2.gz FGBJFCZRAUWVQO-RUZDIDTESA-N 0 1 499.995 5.209 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008845514 554742864 /nfs/dbraw/zinc/74/28/64/554742864.db2.gz MXKRVPGCHPVVLG-MHZLTWQESA-N 0 1 467.569 5.504 50 0 JKAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)[nH]n2)c1 ZINC000008845603 554743417 /nfs/dbraw/zinc/74/34/17/554743417.db2.gz NZQPRRQFWGESJY-UHFFFAOYSA-N 0 1 469.472 5.768 50 0 JKAAMN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)cc3O)n[nH]2)cc1 ZINC000008845623 554743433 /nfs/dbraw/zinc/74/34/33/554743433.db2.gz XATFHQMGXXHBLR-UHFFFAOYSA-N 0 1 481.508 5.719 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccccc3)[nH]n2)c(O)c1 ZINC000008845646 554743448 /nfs/dbraw/zinc/74/34/48/554743448.db2.gz FHARUEBHYGUULU-UHFFFAOYSA-N 0 1 452.470 5.342 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCCC)cc1OCC ZINC000008845808 554743950 /nfs/dbraw/zinc/74/39/50/554743950.db2.gz KMCNONHGZDUSDS-MUUNZHRXSA-N 0 1 491.632 6.322 50 0 JKAAMN COc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2c1 ZINC000008847676 554746073 /nfs/dbraw/zinc/74/60/73/554746073.db2.gz DZQOSKSANLNGQO-RMLRFSFXSA-N 0 1 483.549 5.537 50 0 JKAAMN O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccc(Cl)cc1)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000008857268 554753589 /nfs/dbraw/zinc/75/35/89/554753589.db2.gz KASLOVBYQNWTCJ-LJQANCHMSA-N 0 1 486.881 5.403 50 0 JKAAMN CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000008870419 554765431 /nfs/dbraw/zinc/76/54/31/554765431.db2.gz PPOSJIFTJHNCCX-LJQANCHMSA-N 0 1 462.615 6.631 50 0 JKAAMN 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Cc1cc2ccccc2n1-c1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)s1 ZINC000009229198 555003552 /nfs/dbraw/zinc/00/35/52/555003552.db2.gz FQVFWNUALVTNSP-UHFFFAOYSA-N 0 1 476.621 5.082 50 0 JKAAMN Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000009232718 555004971 /nfs/dbraw/zinc/00/49/71/555004971.db2.gz WYMGHHKMSKGCID-AREMUKBSSA-N 0 1 458.005 6.184 50 0 JKAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009242749 555017670 /nfs/dbraw/zinc/01/76/70/555017670.db2.gz YUGBGLHIYGROSD-SANMLTNESA-N 0 1 469.541 5.249 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009243079 555017844 /nfs/dbraw/zinc/01/78/44/555017844.db2.gz XUMFXCCGLSGNHX-MUUNZHRXSA-N 0 1 467.569 5.702 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000009243095 555017864 /nfs/dbraw/zinc/01/78/64/555017864.db2.gz CWPFPPOFLYGSRT-NDEPHWFRSA-N 0 1 497.595 5.513 50 0 JKAAMN 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CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009280952 555049695 /nfs/dbraw/zinc/04/96/95/555049695.db2.gz SYPXQUYAKSOJLY-UUROJUAVSA-N 0 1 496.994 5.601 50 0 JKAAMN c1ccc2c(c1)CCC[C@@H]2N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000009291446 555065991 /nfs/dbraw/zinc/06/59/91/555065991.db2.gz FMOLZDMHNHMWGD-SVBPBHIXSA-N 0 1 450.586 5.495 50 0 JKAAMN COc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000009307741 555080926 /nfs/dbraw/zinc/08/09/26/555080926.db2.gz XYTOZJVLVMHAAC-MHZLTWQESA-N 0 1 453.586 5.539 50 0 JKAAMN CSc1cccc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000009325761 555097330 /nfs/dbraw/zinc/09/73/30/555097330.db2.gz MMADXOVYMIPPAD-UHFFFAOYSA-N 0 1 469.613 5.380 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000009354778 555119213 /nfs/dbraw/zinc/11/92/13/555119213.db2.gz SRPGHYPJCUBTKB-UHFFFAOYSA-N 0 1 473.579 5.811 50 0 JKAAMN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc(OC)c1O ZINC000009354924 555119411 /nfs/dbraw/zinc/11/94/11/555119411.db2.gz NKNKYUNHLLCGIU-UHFFFAOYSA-N 0 1 464.521 6.926 50 0 JKAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc(-c5ccccc5)cc4)=NN23)cc1 ZINC000009359230 555123132 /nfs/dbraw/zinc/12/31/32/555123132.db2.gz BITFEHGSFRQLLT-WJOKGBTCSA-N 0 1 485.631 6.889 50 0 JKAAMN O=S(=O)(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000009371578 555133453 /nfs/dbraw/zinc/13/34/53/555133453.db2.gz VRRRXXGZUPTCJC-UHFFFAOYSA-N 0 1 473.175 6.349 50 0 JKAAMN O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccccc2)cc1 ZINC000009374612 555135919 /nfs/dbraw/zinc/13/59/19/555135919.db2.gz DLVDFHHZIBQZGW-UHFFFAOYSA-N 0 1 487.361 8.088 50 0 JKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000009378613 555140376 /nfs/dbraw/zinc/14/03/76/555140376.db2.gz LMBOOACMMZJBGJ-UHFFFAOYSA-N 0 1 479.421 5.336 50 0 JKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(OC)cc3)C2)cc1 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JKAAMN CC(C)CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)c1 ZINC000009409165 555173366 /nfs/dbraw/zinc/17/33/66/555173366.db2.gz IWXDXCWKMQFHFN-GDLZYMKVSA-N 0 1 481.596 5.995 50 0 JKAAMN CCCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000009409169 555173394 /nfs/dbraw/zinc/17/33/94/555173394.db2.gz FLMHQEXWMIAAHW-SSEXGKCCSA-N 0 1 495.623 6.529 50 0 JKAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)cc1OCC ZINC000009409239 555173629 /nfs/dbraw/zinc/17/36/29/555173629.db2.gz MIFJNCJJXYWCDY-AREMUKBSSA-N 0 1 463.578 5.705 50 0 JKAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)cc1OCC ZINC000009409272 555173920 /nfs/dbraw/zinc/17/39/20/555173920.db2.gz HQJLLNYLOQWXGL-MHZLTWQESA-N 0 1 477.605 6.095 50 0 JKAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)cc1OC ZINC000009409252 555173936 /nfs/dbraw/zinc/17/39/36/555173936.db2.gz JERNXVNWXIOHGX-SANMLTNESA-N 0 1 463.578 5.705 50 0 JKAAMN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc21 ZINC000009409338 555174128 /nfs/dbraw/zinc/17/41/28/555174128.db2.gz HDMFUOCBUOUNAW-VWLOTQADSA-N 0 1 456.586 5.322 50 0 JKAAMN COc1ccc2nc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)[nH]c2c1 ZINC000009425064 555189905 /nfs/dbraw/zinc/18/99/05/555189905.db2.gz FPIZQXXWMKKCOI-UHFFFAOYSA-N 0 1 460.584 5.887 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCCCC2)cc1 ZINC000009439602 555209647 /nfs/dbraw/zinc/20/96/47/555209647.db2.gz IKDSORFNKFRDKU-DEOSSOPVSA-N 0 1 481.040 5.167 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009446290 555219360 /nfs/dbraw/zinc/21/93/60/555219360.db2.gz OBKWTNGWPZINBX-RUZDIDTESA-N 0 1 477.923 5.371 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009446291 555219369 /nfs/dbraw/zinc/21/93/69/555219369.db2.gz OBKWTNGWPZINBX-VWLOTQADSA-N 0 1 477.923 5.371 50 0 JKAAMN Brc1ccc2c(c1)[C@H]1CC(c3ccncc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000009461652 555229721 /nfs/dbraw/zinc/22/97/21/555229721.db2.gz GJTWBJGEHPVDAM-XMMPIXPASA-N 0 1 489.417 5.380 50 0 JKAAMN CC(C)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc3ccccc32)cc1 ZINC000009490144 555265147 /nfs/dbraw/zinc/26/51/47/555265147.db2.gz ITEGJDJDEGKHLG-UHFFFAOYSA-N 0 1 469.570 5.116 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000009512775 555302830 /nfs/dbraw/zinc/30/28/30/555302830.db2.gz KXQDXFPTWOSLHK-UHFFFAOYSA-N 0 1 459.571 5.800 50 0 JKAAMN COc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000009512791 555302898 /nfs/dbraw/zinc/30/28/98/555302898.db2.gz CBIFAODWJPCZAE-UHFFFAOYSA-N 0 1 475.570 5.500 50 0 JKAAMN COc1ccc(NC(=O)CSc2[nH]c(-c3cccc(F)c3)nc2-c2ccccc2)cc1OC ZINC000009512794 555302904 /nfs/dbraw/zinc/30/29/04/555302904.db2.gz QMAXAYGAGRGUFP-UHFFFAOYSA-N 0 1 463.534 5.631 50 0 JKAAMN Cc1ccc2nc3sc(C(=O)NCCCN4CCN(c5cc(C)ccc5C)CC4)cc3cc2c1 ZINC000009528732 555322489 /nfs/dbraw/zinc/32/24/89/555322489.db2.gz DUJQRWDEWGAYSX-UHFFFAOYSA-N 0 1 472.658 5.317 50 0 JKAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000009529544 555323763 /nfs/dbraw/zinc/32/37/63/555323763.db2.gz XIPADEDBMRCHMM-UHFFFAOYSA-N 0 1 494.661 5.847 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)Nc2ccc(OC(F)F)cc2)ccc1C ZINC000009540585 555333611 /nfs/dbraw/zinc/33/36/11/555333611.db2.gz MTLTUFMCMKPVTC-UHFFFAOYSA-N 0 1 493.557 5.215 50 0 JKAAMN COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000013138817 555336014 /nfs/dbraw/zinc/33/60/14/555336014.db2.gz FKTNVUAUDWJLBQ-UHFFFAOYSA-N 0 1 484.577 5.628 50 0 JKAAMN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009634247 555339132 /nfs/dbraw/zinc/33/91/32/555339132.db2.gz DFOBQKBHWIMITL-UHFFFAOYSA-N 0 1 493.368 5.208 50 0 JKAAMN CCCCN(CC(=O)N1CCCc2c3cc(OCCC)ccc3oc(=O)c21)Cc1ccccc1 ZINC000009560317 555356587 /nfs/dbraw/zinc/35/65/87/555356587.db2.gz BNEOEYKZXTYJJE-UHFFFAOYSA-N 0 1 462.590 5.163 50 0 JKAAMN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000009646119 555359151 /nfs/dbraw/zinc/35/91/51/555359151.db2.gz UNIMUMKLSROPQO-UHFFFAOYSA-N 0 1 495.782 5.164 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCCSc2ccccc2)c1 ZINC000009661864 555366371 /nfs/dbraw/zinc/36/63/71/555366371.db2.gz NXCJARUEZJOENS-UHFFFAOYSA-N 0 1 456.589 5.007 50 0 JKAAMN CC(C)c1n[nH]c(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)n1 ZINC000009662164 555367348 /nfs/dbraw/zinc/36/73/48/555367348.db2.gz FBFJHBHUEGAQLK-HSZRJFAPSA-N 0 1 455.587 5.551 50 0 JKAAMN CC(C)c1nc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)n[nH]1 ZINC000009662164 555367353 /nfs/dbraw/zinc/36/73/53/555367353.db2.gz FBFJHBHUEGAQLK-HSZRJFAPSA-N 0 1 455.587 5.551 50 0 JKAAMN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3OC)cc2)n1 ZINC000009572559 555369760 /nfs/dbraw/zinc/36/97/60/555369760.db2.gz RQWSRHIMWQWJPB-UHFFFAOYSA-N 0 1 497.665 5.482 50 0 JKAAMN CCCCN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)CC1 ZINC000013321625 555375753 /nfs/dbraw/zinc/37/57/53/555375753.db2.gz AKCQQRURMMFUBE-UHFFFAOYSA-N 0 1 452.396 5.222 50 0 JKAAMN CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000013346759 555377289 /nfs/dbraw/zinc/37/72/89/555377289.db2.gz MAOYQIUXFLIODL-UHFFFAOYSA-N 0 1 451.573 5.339 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Nc4cccc(C)c4)cc3C)s2)cc1 ZINC000013349197 555379238 /nfs/dbraw/zinc/37/92/38/555379238.db2.gz MNSRANGXEZTIEC-UHFFFAOYSA-N 0 1 466.588 5.666 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Nc4cccc(C)c4C)cc3C)s2)cc1 ZINC000013349169 555379313 /nfs/dbraw/zinc/37/93/13/555379313.db2.gz HNUPKRCWCNLYKW-UHFFFAOYSA-N 0 1 480.615 5.975 50 0 JKAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2nc(-c3ccc(C)cc3)co2)c1 ZINC000013359167 555385472 /nfs/dbraw/zinc/38/54/72/555385472.db2.gz HWVKDDXLLUWPPR-UHFFFAOYSA-N 0 1 454.935 5.780 50 0 JKAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000009672417 555394448 /nfs/dbraw/zinc/39/44/48/555394448.db2.gz AEQQWXKDUFEEIW-UHFFFAOYSA-N 0 1 477.367 5.490 50 0 JKAAMN O=C(CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009674102 555398974 /nfs/dbraw/zinc/39/89/74/555398974.db2.gz PKGDHLIYHACWDQ-SFHVURJKSA-N 0 1 462.402 5.438 50 0 JKAAMN O=C(CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1)NCc1ccco1 ZINC000009674128 555399085 /nfs/dbraw/zinc/39/90/85/555399085.db2.gz SEZSKCJKMAQPHY-UHFFFAOYSA-N 0 1 458.370 6.052 50 0 JKAAMN O=C(CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009674103 555399114 /nfs/dbraw/zinc/39/91/14/555399114.db2.gz PKGDHLIYHACWDQ-GOSISDBHSA-N 0 1 462.402 5.438 50 0 JKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2SCC(=O)NCc2ccco2)cc1 ZINC000009674115 555399118 /nfs/dbraw/zinc/39/91/18/555399118.db2.gz LMUARUXSNNCOFW-UHFFFAOYSA-N 0 1 482.403 5.816 50 0 JKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000009674094 555399127 /nfs/dbraw/zinc/39/91/27/555399127.db2.gz IFIASGPPZQFRBI-IBGZPJMESA-N 0 1 486.435 5.202 50 0 JKAAMN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000009674213 555399367 /nfs/dbraw/zinc/39/93/67/555399367.db2.gz SMUVAISDNUFHLR-UHFFFAOYSA-N 0 1 461.518 5.385 50 0 JKAAMN COc1cc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc(OC)c1OC ZINC000009674178 555399387 /nfs/dbraw/zinc/39/93/87/555399387.db2.gz SFVMNGKVSOLQIB-UHFFFAOYSA-N 0 1 493.560 5.639 50 0 JKAAMN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccc(F)cc2)cc1OC ZINC000009674189 555399445 /nfs/dbraw/zinc/39/94/45/555399445.db2.gz GOFJHZBWSGCZDK-UHFFFAOYSA-N 0 1 463.534 5.631 50 0 JKAAMN CC(=O)c1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000009589082 555402118 /nfs/dbraw/zinc/40/21/18/555402118.db2.gz IXOHTILRSTYTEK-UHFFFAOYSA-N 0 1 493.368 5.014 50 0 JKAAMN CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)CN(C)C[C@H]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000013468679 555402121 /nfs/dbraw/zinc/40/21/21/555402121.db2.gz KHYACKNGUMLYGX-AXIJBTFKSA-N 0 1 453.430 5.712 50 0 JKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009679533 555406431 /nfs/dbraw/zinc/40/64/31/555406431.db2.gz SUIHTGIPJBUETA-RUZDIDTESA-N 0 1 469.541 5.894 50 0 JKAAMN O=C1c2ccccc2[C@@H](Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccccc1Cl ZINC000009679682 555406902 /nfs/dbraw/zinc/40/69/02/555406902.db2.gz WCBASJGUKLOEIF-SANMLTNESA-N 0 1 465.944 6.045 50 0 JKAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(F)c3)nn2[C@H]1c1ccccc1Cl ZINC000009597439 555414328 /nfs/dbraw/zinc/41/43/28/555414328.db2.gz XBHXOWLWCCWILT-IBGZPJMESA-N 0 1 458.946 5.215 50 0 JKAAMN CN1CCN(c2ccccc2NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)CC1 ZINC000009693764 555422819 /nfs/dbraw/zinc/42/28/19/555422819.db2.gz BUUQFCQRAXNCFA-UHFFFAOYSA-N 0 1 481.065 5.250 50 0 JKAAMN CN(C(=O)[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1cc(Cl)ccc1=O)C1CCCCC1 ZINC000009601243 555425767 /nfs/dbraw/zinc/42/57/67/555425767.db2.gz FNDNVYWTPYRIID-LJQANCHMSA-N 0 1 455.769 5.024 50 0 JKAAMN 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/nfs/dbraw/zinc/07/27/67/556072767.db2.gz SGBBLISYCQJYAZ-KRWDZBQOSA-N 0 1 453.542 5.351 50 0 JKAAMN COc1ccccc1NC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCCC2 ZINC000015946877 556084014 /nfs/dbraw/zinc/08/40/14/556084014.db2.gz UKSVLDQKDHRRTO-QGZVFWFLSA-N 0 1 463.603 5.177 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000015947243 556084692 /nfs/dbraw/zinc/08/46/92/556084692.db2.gz CDRVPNUYPZEOAP-XMMPIXPASA-N 0 1 489.641 6.072 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000015947148 556084749 /nfs/dbraw/zinc/08/47/49/556084749.db2.gz NYJZQKYGHPEYFE-VWLOTQADSA-N 0 1 483.593 5.927 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947287 556085101 /nfs/dbraw/zinc/08/51/01/556085101.db2.gz LVSQKLJATKYRDI-LJQANCHMSA-N 0 1 458.381 5.578 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c2)N3)C1 ZINC000015947269 556085258 /nfs/dbraw/zinc/08/52/58/556085258.db2.gz RGOMBJLZJCHYCX-QFIPXVFZSA-N 0 1 498.004 5.436 50 0 JKAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(C=Cc3ccccc3C)n[nH]2)cc1 ZINC000012845144 556117484 /nfs/dbraw/zinc/11/74/84/556117484.db2.gz AXKRWEUEGQOFMR-DTQAZKPQSA-N 0 1 499.596 5.275 50 0 JKAAMN Cc1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000016035580 556118899 /nfs/dbraw/zinc/11/88/99/556118899.db2.gz KNFNJMHFVORPMV-UHFFFAOYSA-N 0 1 458.967 5.084 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N2CCCC2)cc1 ZINC000012870703 556120890 /nfs/dbraw/zinc/12/08/90/556120890.db2.gz UZBJTGIJVASBQZ-QFIPXVFZSA-N 0 1 484.021 5.229 50 0 JKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000016154385 556127109 /nfs/dbraw/zinc/12/71/09/556127109.db2.gz YFMPYWHTUDEZSW-UHFFFAOYSA-N 0 1 478.393 5.025 50 0 JKAAMN COc1cc(OC)cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)c1 ZINC000016837175 556163064 /nfs/dbraw/zinc/16/30/64/556163064.db2.gz NEDNMSHRAYHYRQ-UHFFFAOYSA-N 0 1 493.654 6.061 50 0 JKAAMN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000025053282 556175422 /nfs/dbraw/zinc/17/54/22/556175422.db2.gz SUIWWBLWQZVXDE-UHFFFAOYSA-N 0 1 453.951 5.121 50 0 JKAAMN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000025053282 556175426 /nfs/dbraw/zinc/17/54/26/556175426.db2.gz SUIWWBLWQZVXDE-UHFFFAOYSA-N 0 1 453.951 5.121 50 0 JKAAMN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1[nH]nc2ccccc21 ZINC000025139487 556180702 /nfs/dbraw/zinc/18/07/02/556180702.db2.gz BWUOFVSBPXIQEX-UHFFFAOYSA-N 0 1 455.949 5.400 50 0 JKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N(C)Cc4cc(OC)c(OC)c(OC)c4)cc3)[nH]n2)c1 ZINC000025145808 556184503 /nfs/dbraw/zinc/18/45/03/556184503.db2.gz SWILBDOMPUTIMJ-UHFFFAOYSA-N 0 1 487.556 5.050 50 0 JKAAMN O=C(c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000025154310 556195211 /nfs/dbraw/zinc/19/52/11/556195211.db2.gz ACGWSMAUPNEVDC-UHFFFAOYSA-N 0 1 471.604 6.992 50 0 JKAAMN O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000025329371 556208956 /nfs/dbraw/zinc/20/89/56/556208956.db2.gz XUCRALLSADLLLJ-RUZDIDTESA-N 0 1 489.418 5.422 50 0 JKAAMN COc1cc(CN[C@H]2CCOc3ccccc32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000025357269 556210423 /nfs/dbraw/zinc/21/04/23/556210423.db2.gz HPNCARURVSEURN-NRFANRHFSA-N 0 1 470.928 5.119 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000017051029 556211942 /nfs/dbraw/zinc/21/19/42/556211942.db2.gz YNSHKGWIBZYEMK-UHFFFAOYSA-N 0 1 499.617 6.325 50 0 JKAAMN CSc1nc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000017051026 556212044 /nfs/dbraw/zinc/21/20/44/556212044.db2.gz ODZXTZCSBNGYMR-UHFFFAOYSA-N 0 1 469.613 5.380 50 0 JKAAMN COc1cc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461355 556217105 /nfs/dbraw/zinc/21/71/05/556217105.db2.gz STSQQIFVGFWTEQ-HOYKHHGWSA-N 0 1 483.395 6.325 50 0 JKAAMN CC(C)N1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113390 556218284 /nfs/dbraw/zinc/21/82/84/556218284.db2.gz MEIDHDSJMDSMTB-UHFFFAOYSA-N 0 1 463.628 5.809 50 0 JKAAMN C[C@@H](CNC(=O)CC(C)(C)CC1=Nc2ccccc2S(=O)(=O)N1)CSc1ccc(Cl)cc1 ZINC000017113776 556218588 /nfs/dbraw/zinc/21/85/88/556218588.db2.gz QQNYMODFTAANJN-INIZCTEOSA-N 0 1 494.082 5.013 50 0 JKAAMN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013026726 556219241 /nfs/dbraw/zinc/21/92/41/556219241.db2.gz VFNMAJKGZNXTPW-UHFFFAOYSA-N 0 1 490.556 5.406 50 0 JKAAMN Cc1ccccc1-n1c2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)[nH]c(=O)c2sc1=S ZINC000017143735 556225384 /nfs/dbraw/zinc/22/53/84/556225384.db2.gz WEQJAVXVYDXHSZ-INIZCTEOSA-N 0 1 496.683 5.043 50 0 JKAAMN O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000017156623 556229450 /nfs/dbraw/zinc/22/94/50/556229450.db2.gz JKLKVKJAECPOIJ-UHFFFAOYSA-N 0 1 482.915 5.217 50 0 JKAAMN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000017156627 556229455 /nfs/dbraw/zinc/22/94/55/556229455.db2.gz DNUNIWPLNHNOAV-UHFFFAOYSA-N 0 1 496.942 5.607 50 0 JKAAMN COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)N2CCCC2)c1 ZINC000013039439 556240495 /nfs/dbraw/zinc/24/04/95/556240495.db2.gz ACBVPFINIQLWDT-NDEPHWFRSA-N 0 1 466.585 5.115 50 0 JKAAMN CC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4C(F)(F)F)cc3)nn2)CC1 ZINC000017246095 556246172 /nfs/dbraw/zinc/24/61/72/556246172.db2.gz HNALKKVXMANNCI-UHFFFAOYSA-N 0 1 476.524 5.200 50 0 JKAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000017315621 556257811 /nfs/dbraw/zinc/25/78/11/556257811.db2.gz DVBQZXAWRUYYLG-UHFFFAOYSA-N 0 1 494.661 5.847 50 0 JKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018010688 556276069 /nfs/dbraw/zinc/27/60/69/556276069.db2.gz LSOWSSNQULASJV-ZLNRFVROSA-N 0 1 499.350 5.062 50 0 JKAAMN CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018031680 556277906 /nfs/dbraw/zinc/27/79/06/556277906.db2.gz ILOGOOOAUQKWMJ-ZRBLBEILSA-N 0 1 477.358 5.063 50 0 JKAAMN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018031680 556277907 /nfs/dbraw/zinc/27/79/07/556277907.db2.gz ILOGOOOAUQKWMJ-ZRBLBEILSA-N 0 1 477.358 5.063 50 0 JKAAMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013076168 556278077 /nfs/dbraw/zinc/27/80/77/556278077.db2.gz MRCHAKFUADHNHI-VIFPVBQESA-N 0 1 450.923 5.737 50 0 JKAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000018099649 556287408 /nfs/dbraw/zinc/28/74/08/556287408.db2.gz COLRNCLXYGUNNM-VSKRKVRLSA-N 0 1 469.324 5.053 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018102936 556288138 /nfs/dbraw/zinc/28/81/38/556288138.db2.gz XYZIWRRLWQCUOS-VJGNERBWSA-N 0 1 486.568 5.098 50 0 JKAAMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000027574957 556299491 /nfs/dbraw/zinc/29/94/91/556299491.db2.gz VDTNBWITWDXXER-QGZVFWFLSA-N 0 1 457.621 5.166 50 0 JKAAMN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 ZINC000027582566 556300106 /nfs/dbraw/zinc/30/01/06/556300106.db2.gz YCKKCRNBRPTMLY-UHFFFAOYSA-N 0 1 465.509 6.518 50 0 JKAAMN Cc1nn2c(nc(C)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccc(C)cc1 ZINC000027585800 556300614 /nfs/dbraw/zinc/30/06/14/556300614.db2.gz KREVSQZSRRMOCA-UHFFFAOYSA-N 0 1 491.639 5.676 50 0 JKAAMN CCc1nn2c(nc(C)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000027586267 556300630 /nfs/dbraw/zinc/30/06/30/556300630.db2.gz KLHRZPBMQHXHRN-UHFFFAOYSA-N 0 1 491.639 5.621 50 0 JKAAMN COc1ccc(Br)cc1-c1nc(-c2cnc3ccccc3c2)c(-c2ccccc2)[nH]1 ZINC000018194151 556301913 /nfs/dbraw/zinc/30/19/13/556301913.db2.gz GKWFYUICZPOTSK-UHFFFAOYSA-N 0 1 456.343 6.730 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCCCCC2)cc1 ZINC000027662247 556302061 /nfs/dbraw/zinc/30/20/61/556302061.db2.gz BSKRCBFVZUWTOJ-JOCHJYFZSA-N 0 1 485.422 5.859 50 0 JKAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCc5ccc(Cl)cc5)C4=O)cc3)sc2c1 ZINC000018195545 556302605 /nfs/dbraw/zinc/30/26/05/556302605.db2.gz ZYAVOWVYRADWDJ-NRFANRHFSA-N 0 1 461.974 5.347 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2ccc(C3SCCCS3)cc2)N2CCCCC2)cc1 ZINC000027668127 556304073 /nfs/dbraw/zinc/30/40/73/556304073.db2.gz HOGCQTFIXQWPHZ-HSZRJFAPSA-N 0 1 456.677 5.521 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2ccc(C3SCCCS3)cc2)N2CCCCC2)cc1 ZINC000027668128 556304097 /nfs/dbraw/zinc/30/40/97/556304097.db2.gz HOGCQTFIXQWPHZ-QHCPKHFHSA-N 0 1 456.677 5.521 50 0 JKAAMN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000013108307 556305471 /nfs/dbraw/zinc/30/54/71/556305471.db2.gz NQUNCNGDKMNMIC-SFHVURJKSA-N 0 1 497.879 5.828 50 0 JKAAMN Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)s2)c1 ZINC000027989780 556311757 /nfs/dbraw/zinc/31/17/57/556311757.db2.gz OWJVAGOROLPCCP-UHFFFAOYSA-N 0 1 462.600 5.925 50 0 JKAAMN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)c1 ZINC000028286905 556327668 /nfs/dbraw/zinc/32/76/68/556327668.db2.gz OLNFECHHILEQOW-QGZVFWFLSA-N 0 1 493.519 6.224 50 0 JKAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCC2)cc1 ZINC000028289500 556327864 /nfs/dbraw/zinc/32/78/64/556327864.db2.gz UGGLDIJCMBBJFZ-NRFANRHFSA-N 0 1 452.982 5.311 50 0 JKAAMN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028290374 556328238 /nfs/dbraw/zinc/32/82/38/556328238.db2.gz DBNWNROTAFEYAI-QFIPXVFZSA-N 0 1 483.450 6.368 50 0 JKAAMN CC(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCCC2)cc1 ZINC000028293054 556329317 /nfs/dbraw/zinc/32/93/17/556329317.db2.gz XMANRUSWBXDBRO-QFIPXVFZSA-N 0 1 452.982 5.527 50 0 JKAAMN O=C(Nc1nc(-c2ccc(Br)o2)ns1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000028293768 556329654 /nfs/dbraw/zinc/32/96/54/556329654.db2.gz ATMSSTJLDHVZEI-UHFFFAOYSA-N 0 1 471.336 5.347 50 0 JKAAMN Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028402790 556332302 /nfs/dbraw/zinc/33/23/02/556332302.db2.gz GPEMMCPLJXLZSV-DEOSSOPVSA-N 0 1 460.618 5.664 50 0 JKAAMN Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028402784 556332312 /nfs/dbraw/zinc/33/23/12/556332312.db2.gz GPEMMCPLJXLZSV-XMMPIXPASA-N 0 1 460.618 5.664 50 0 JKAAMN Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCCC3)cc(=O)c2cc1C ZINC000028402770 556332336 /nfs/dbraw/zinc/33/23/36/556332336.db2.gz BIKZLZUSEMCQFA-DEOSSOPVSA-N 0 1 460.618 5.664 50 0 JKAAMN Clc1ccc2c(c1)C[C@H](N1CCN(Cc3ccccc3)CC1)c1ccc(Cl)cc1S2 ZINC000019370859 556347035 /nfs/dbraw/zinc/34/70/35/556347035.db2.gz XLSBPHGLPITZQG-QHCPKHFHSA-N 0 1 455.454 6.560 50 0 JKAAMN Clc1ccc2c(c1)C[C@@H](N1CCN(Cc3ccccc3)CC1)c1ccc(Cl)cc1S2 ZINC000019370861 556347062 /nfs/dbraw/zinc/34/70/62/556347062.db2.gz XLSBPHGLPITZQG-HSZRJFAPSA-N 0 1 455.454 6.560 50 0 JKAAMN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1ccc(N(CC)CC)cc1 ZINC000013132024 556358520 /nfs/dbraw/zinc/35/85/20/556358520.db2.gz BMXRJTGYFZURRN-UHFFFAOYSA-N 0 1 469.582 5.628 50 0 JKAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1Cc2ccccc2S1 ZINC000029956124 556360938 /nfs/dbraw/zinc/36/09/38/556360938.db2.gz KIJZFULTOQTFPH-LEWJYISDSA-N 0 1 453.489 5.504 50 0 JKAAMN O=C(Cc1noc2ccccc12)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029956556 556360975 /nfs/dbraw/zinc/36/09/75/556360975.db2.gz NCIYSFKCCSPVNU-QFIPXVFZSA-N 0 1 450.420 5.171 50 0 JKAAMN CC1(C)C[C@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782240 556369497 /nfs/dbraw/zinc/36/94/97/556369497.db2.gz DJNATJHMUNFNFS-NDEPHWFRSA-N 0 1 461.650 5.366 50 0 biogenic JKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(OC)c(Br)c4)CC3)ccc21 ZINC000019781855 556369579 /nfs/dbraw/zinc/36/95/79/556369579.db2.gz MUQGDTAAFRLGPM-UHFFFAOYSA-N 0 1 492.461 5.903 50 0 JKAAMN O[C@@H](Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)CN1CCOCC1 ZINC000019800322 556377558 /nfs/dbraw/zinc/37/75/58/556377558.db2.gz CBXVNVGAGQBJIV-AREMUKBSSA-N 0 1 462.593 5.822 50 0 JKAAMN O=C1C(Nc2cccc(Cl)c2)=C[C@@H](c2ccc3oc4ccccc4c3c2)N1c1cccc(Cl)c1 ZINC000030947945 556389393 /nfs/dbraw/zinc/38/93/93/556389393.db2.gz CAHXUELPEFFSOB-VWLOTQADSA-N 0 1 485.370 7.977 50 0 JKAAMN CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)cc1 ZINC000032623119 556453101 /nfs/dbraw/zinc/45/31/01/556453101.db2.gz BGQCLSZCPYBMRY-XMMPIXPASA-N 0 1 475.589 5.193 50 0 JKAAMN COc1ccc(CN(Cc2nnc(-c3ccccc3Br)o2)[C@@H](C)Cc2cccs2)cc1 ZINC000032836179 556507272 /nfs/dbraw/zinc/50/72/72/556507272.db2.gz SRXMKAKKYPAOAJ-KRWDZBQOSA-N 0 1 498.446 6.203 50 0 JKAAMN COc1ccccc1[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCCC1 ZINC000032902422 556529390 /nfs/dbraw/zinc/52/93/90/556529390.db2.gz DSPPRFYAMRGGFJ-VWLOTQADSA-N 0 1 467.569 5.584 50 0 JKAAMN CCOc1ccc(CC(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1OCC ZINC000032960993 556577563 /nfs/dbraw/zinc/57/75/63/556577563.db2.gz HTHRKNZWCKGRGH-UHFFFAOYSA-N 0 1 457.574 5.635 50 0 JKAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008606540 562946812 /nfs/dbraw/zinc/94/68/12/562946812.db2.gz RTOFXICGZBXNHH-LJAQVGFWSA-N 0 1 497.595 5.722 50 0 aggregator JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1 ZINC000008673973 562950381 /nfs/dbraw/zinc/95/03/81/562950381.db2.gz ZDJIIEWXAOCGJX-UHFFFAOYSA-N 0 1 454.457 6.327 50 0 JKAAMN C[C@H]1CCc2sc3ncnc(N4CCN(CCOC(c5ccccc5)c5ccccc5)CC4)c3c2C1 ZINC000054290466 569589762 /nfs/dbraw/zinc/58/97/62/569589762.db2.gz QDBUGDAQKRWYAB-QFIPXVFZSA-N 0 1 498.696 5.744 50 0 JKAAMN Fc1ccc(-c2csc3ncnc(N4CCN(CCOc5ccc(Cl)cc5)CC4)c23)cc1 ZINC000054290416 569589811 /nfs/dbraw/zinc/58/98/11/569589811.db2.gz RFXKRRUJHHRXDG-UHFFFAOYSA-N 0 1 468.985 5.352 50 0 JKAAMN O=C(C1CCCCC1)N1CCC(Oc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055224684 569591233 /nfs/dbraw/zinc/59/12/33/569591233.db2.gz NKYHICQJURCGIJ-UHFFFAOYSA-N 0 1 496.095 5.612 50 0 JKAAMN CCOc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008454425 569591468 /nfs/dbraw/zinc/59/14/68/569591468.db2.gz MUDYPGFXLOFQAH-AWEZNQCLSA-N 0 1 460.397 5.261 50 0 JKAAMN CN(Cc1ccccc1)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000055283442 569591510 /nfs/dbraw/zinc/59/15/10/569591510.db2.gz OHMLYCWPMJRLGH-AREMUKBSSA-N 0 1 471.988 5.180 50 0 JKAAMN COC(=O)c1sc2nc(CN(C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(C)c1C ZINC000055343293 569591663 /nfs/dbraw/zinc/59/16/63/569591663.db2.gz FKFRLWIEGDQCMF-QGZVFWFLSA-N 0 1 493.654 6.207 50 0 JKAAMN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717742 569596752 /nfs/dbraw/zinc/59/67/52/569596752.db2.gz FVDXDMJXMIFHSJ-AREMUKBSSA-N 0 1 469.585 5.240 50 0 JKAAMN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717707 569596772 /nfs/dbraw/zinc/59/67/72/569596772.db2.gz GCCUYIMDBWZRAI-SANMLTNESA-N 0 1 474.004 5.884 50 0 JKAAMN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000008717744 569596792 /nfs/dbraw/zinc/59/67/92/569596792.db2.gz KGUQZSAYQSESMF-AREMUKBSSA-N 0 1 469.585 5.240 50 0 JKAAMN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717712 569596799 /nfs/dbraw/zinc/59/67/99/569596799.db2.gz QYSRCSQYYNOOGP-RUZDIDTESA-N 0 1 478.423 6.529 50 0 JKAAMN Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000008717721 569596822 /nfs/dbraw/zinc/59/68/22/569596822.db2.gz HWWKXTHNOXPQQY-QFIPXVFZSA-N 0 1 450.007 5.937 50 0 JKAAMN CCCc1n[nH]c(S[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 ZINC000008718755 569597161 /nfs/dbraw/zinc/59/71/61/569597161.db2.gz PPPRSINNUCZDJG-QGZVFWFLSA-N 0 1 454.905 5.902 50 0 JKAAMN CCCc1nc(S[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n[nH]1 ZINC000008718755 569597162 /nfs/dbraw/zinc/59/71/62/569597162.db2.gz PPPRSINNUCZDJG-QGZVFWFLSA-N 0 1 454.905 5.902 50 0 JKAAMN CCCc1n[nH]c(S[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 ZINC000008718752 569597184 /nfs/dbraw/zinc/59/71/84/569597184.db2.gz YKBILWMYNYMHQK-KRWDZBQOSA-N 0 1 454.905 5.902 50 0 JKAAMN CCCc1nc(S[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n[nH]1 ZINC000008718752 569597185 /nfs/dbraw/zinc/59/71/85/569597185.db2.gz YKBILWMYNYMHQK-KRWDZBQOSA-N 0 1 454.905 5.902 50 0 JKAAMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000060331465 569608747 /nfs/dbraw/zinc/60/87/47/569608747.db2.gz VNXWOJVNXWRBFG-UHFFFAOYSA-N 0 1 458.587 5.242 50 0 JKAAMN O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000062592066 569612629 /nfs/dbraw/zinc/61/26/29/569612629.db2.gz HIMMFAJNPMUBOL-UHFFFAOYSA-N 0 1 494.624 5.432 50 0 JKAAMN COC(=O)c1sc2nc(CN(C)Cc3ccccc3)ccc2c1NC(=O)Cc1ccccc1F ZINC000064167080 569616389 /nfs/dbraw/zinc/61/63/89/569616389.db2.gz HICUNDFAOXEWDT-UHFFFAOYSA-N 0 1 477.561 5.035 50 0 JKAAMN CC(C)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064557963 569618439 /nfs/dbraw/zinc/61/84/39/569618439.db2.gz FBYNLPMCLQHPKE-JOCHJYFZSA-N 0 1 467.974 5.795 50 0 JKAAMN CCCN1CCN(c2nn3c(nc(-c4ccccc4)c3NC(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000064699038 569623921 /nfs/dbraw/zinc/62/39/21/569623921.db2.gz RIIBMAXLNPDIFC-UHFFFAOYSA-N 0 1 496.040 5.287 50 0 JKAAMN O=C1S/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N1c1ccc(Cl)cc1 ZINC000033349389 569625001 /nfs/dbraw/zinc/62/50/01/569625001.db2.gz BBLJRHNNINEPFV-AWNIVKPZSA-N 0 1 489.572 5.812 50 0 JKAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(C(F)(F)F)cc4)c3NC3CCCCC3)s2)CC1 ZINC000064746078 569625203 /nfs/dbraw/zinc/62/52/03/569625203.db2.gz PEPCQJIYENOULE-UHFFFAOYSA-N 0 1 492.615 5.753 50 0 JKAAMN Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064802032 569631797 /nfs/dbraw/zinc/63/17/97/569631797.db2.gz SNZMXNPDHIKFJT-UHFFFAOYSA-N 0 1 455.559 5.213 50 0 JKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(F)c1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000033779081 569634535 /nfs/dbraw/zinc/63/45/35/569634535.db2.gz MHLNKFGUIRISRN-UBFVSLLYSA-N 0 1 472.903 5.683 50 0 JKAAMN COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)N(C)CC3)OCO2 ZINC000033891529 569637106 /nfs/dbraw/zinc/63/71/06/569637106.db2.gz XVPULKCGCVRRPV-PKTZIBPZSA-N 0 1 465.634 5.598 50 0 biogenic JKAAMN Cc1ccc2c(c1)[C@@H](N1CCN(CCCn3c4ccccc4[nH]c3=O)CC1)c1ccccc1CS2 ZINC000033901130 569637191 /nfs/dbraw/zinc/63/71/91/569637191.db2.gz SBMXQZNPYGSVFF-NDEPHWFRSA-N 0 1 484.669 5.041 50 0 JKAAMN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3ccccc3Cl)CC2)nc1 ZINC000034681700 569643550 /nfs/dbraw/zinc/64/35/50/569643550.db2.gz YREBMOKHYHJJPY-UHFFFAOYSA-N 0 1 485.415 5.118 50 0 JKAAMN O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682646 569644032 /nfs/dbraw/zinc/64/40/32/569644032.db2.gz QSXXSBQQUXNNRU-UHFFFAOYSA-N 0 1 498.573 7.069 50 0 JKAAMN O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682665 569644039 /nfs/dbraw/zinc/64/40/39/569644039.db2.gz LYTWRJHWDORALX-UHFFFAOYSA-N 0 1 457.376 6.444 50 0 JKAAMN COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000034682773 569644086 /nfs/dbraw/zinc/64/40/86/569644086.db2.gz VMCIIEWOJZCHHM-UHFFFAOYSA-N 0 1 464.993 5.669 50 0 JKAAMN COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(OC)cc3OC)CC2)c1 ZINC000034683114 569644255 /nfs/dbraw/zinc/64/42/55/569644255.db2.gz XFDGJVYYGCYITL-UHFFFAOYSA-N 0 1 478.564 5.163 50 0 JKAAMN COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(OC)c3OC)CC2)c1 ZINC000034683115 569644287 /nfs/dbraw/zinc/64/42/87/569644287.db2.gz SAFLZMTVXXCVJT-UHFFFAOYSA-N 0 1 478.564 5.163 50 0 JKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683439 569644386 /nfs/dbraw/zinc/64/43/86/569644386.db2.gz PPOCZVNMTWGINS-UHFFFAOYSA-N 0 1 474.548 6.087 50 0 JKAAMN Cc1ccc(N(C2CCN(Cc3cccs3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683759 569644630 /nfs/dbraw/zinc/64/46/30/569644630.db2.gz UFDBCRBOBQWHLH-UHFFFAOYSA-N 0 1 461.052 5.570 50 0 JKAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968166 569647779 /nfs/dbraw/zinc/64/77/79/569647779.db2.gz XFGCMAAFKPRSTJ-UHFFFAOYSA-N 0 1 488.031 5.908 50 0 JKAAMN COc1ccccc1[C@@H](CCN1CCN(Cc2ccccc2)CC1)Oc1cccc(N(C)C)c1 ZINC000034727657 569652951 /nfs/dbraw/zinc/65/29/51/569652951.db2.gz NYKDDKASFHXKNQ-GDLZYMKVSA-N 0 1 459.634 5.089 50 0 JKAAMN Cc1ccc(Cl)c(O[C@@H](CCN2CCN(c3ccccc3C)CC2)c2ccc(F)cc2)c1 ZINC000034726663 569652970 /nfs/dbraw/zinc/65/29/70/569652970.db2.gz UXBZFYKRPIVFLY-SANMLTNESA-N 0 1 453.001 6.428 50 0 JKAAMN Cc1ccc(Cl)c(O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)c1 ZINC000034726823 569652979 /nfs/dbraw/zinc/65/29/79/569652979.db2.gz GHAJELIYXDLBKA-RUZDIDTESA-N 0 1 456.964 6.259 50 0 JKAAMN COc1ccccc1[C@H](CCN1CCN(Cc2ccccc2)CC1)Oc1cccc(N(C)C)c1 ZINC000034727654 569652996 /nfs/dbraw/zinc/65/29/96/569652996.db2.gz NYKDDKASFHXKNQ-LJAQVGFWSA-N 0 1 459.634 5.089 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@H](Oc2ccccc2Cl)c2cccc(F)c2)CC1 ZINC000034727693 569653091 /nfs/dbraw/zinc/65/30/91/569653091.db2.gz GCDGQVUFPGYHEV-DEOSSOPVSA-N 0 1 454.973 5.820 50 0 JKAAMN Fc1ccc([C@@H](CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccc(F)cc2Cl)cc1 ZINC000034726811 569653108 /nfs/dbraw/zinc/65/31/08/569653108.db2.gz ZRVASWBSRGBIPC-XMMPIXPASA-N 0 1 460.927 6.090 50 0 JKAAMN Cc1ccc(O[C@H](CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccc(F)c2)cc1 ZINC000034727802 569653139 /nfs/dbraw/zinc/65/31/39/569653139.db2.gz AHBQUOJXAFKMTO-AREMUKBSSA-N 0 1 462.565 5.191 50 0 JKAAMN CC(C)c1cccc(O[C@H](CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccc(F)c2)c1 ZINC000034727783 569653224 /nfs/dbraw/zinc/65/32/24/569653224.db2.gz DWHOBYMASOWPFF-MUUNZHRXSA-N 0 1 490.619 6.006 50 0 JKAAMN Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000034730179 569653394 /nfs/dbraw/zinc/65/33/94/569653394.db2.gz LWHJBQBAPXVXEZ-UHFFFAOYSA-N 0 1 460.021 5.622 50 0 JKAAMN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CCCCC3)o2)cc1 ZINC000065036813 569653640 /nfs/dbraw/zinc/65/36/40/569653640.db2.gz HHOWSZWPHQKBIJ-UHFFFAOYSA-N 0 1 460.622 5.839 50 0 JKAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1Cl ZINC000065060145 569655223 /nfs/dbraw/zinc/65/52/23/569655223.db2.gz WHQHADOOMCWWPK-UHFFFAOYSA-N 0 1 467.012 5.713 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2cccc(F)c2)CC1 ZINC000034740111 569655265 /nfs/dbraw/zinc/65/52/65/569655265.db2.gz OHLHCSQREBOETC-GDLZYMKVSA-N 0 1 476.636 6.599 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@H](Oc2ccc(C(C)C)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740112 569655273 /nfs/dbraw/zinc/65/52/73/569655273.db2.gz KZNSMFXJMOEUHK-LJAQVGFWSA-N 0 1 476.636 6.599 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2ccccc2F)CC1 ZINC000034740103 569655434 /nfs/dbraw/zinc/65/54/34/569655434.db2.gz BPCYSYQIFMJSQA-GDLZYMKVSA-N 0 1 476.636 6.599 50 0 JKAAMN Nc1c(NC(=O)N2CCN(C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000034785301 569659270 /nfs/dbraw/zinc/65/92/70/569659270.db2.gz AWCMMOZDMGQNEE-UHFFFAOYSA-N 0 1 498.553 5.232 50 0 JKAAMN COc1ccc(CC(=O)Nc2ccc3c(c2)C(N2CCN(C(C)C)CC2)=Nc2ccccc2O3)cc1 ZINC000034790579 569660119 /nfs/dbraw/zinc/66/01/19/569660119.db2.gz OPEKSXFJNBZPER-UHFFFAOYSA-N 0 1 484.600 5.086 50 0 JKAAMN CCOC(=O)c1c(NC(=O)[C@H](NCCc2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000034800869 569661205 /nfs/dbraw/zinc/66/12/05/569661205.db2.gz FHJCBZLGQCRZQP-UQBPGWFLSA-N 0 1 476.642 5.562 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cccc(Cl)c1 ZINC000034814880 569662889 /nfs/dbraw/zinc/66/28/89/569662889.db2.gz MJTHEOMMZBQGLL-UHFFFAOYSA-N 0 1 480.056 5.028 50 0 JKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Nc3cccc(C)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829562 569663102 /nfs/dbraw/zinc/66/31/02/569663102.db2.gz SMEPXBJHIDCDLC-UHFFFAOYSA-N 0 1 488.680 5.321 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034829553 569663258 /nfs/dbraw/zinc/66/32/58/569663258.db2.gz UKGVOGQLXFQICW-UHFFFAOYSA-N 0 1 495.071 5.420 50 0 JKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830335 569663793 /nfs/dbraw/zinc/66/37/93/569663793.db2.gz IRXHKOJMANALLP-WCYRKSIYSA-N 0 1 495.733 5.280 50 0 JKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034832210 569664405 /nfs/dbraw/zinc/66/44/05/569664405.db2.gz LIQSFLCYIFEYIF-UHFFFAOYSA-N 0 1 494.728 5.213 50 0 JKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)NC1CCCCC1 ZINC000034832186 569664427 /nfs/dbraw/zinc/66/44/27/569664427.db2.gz OTAYZDBHNFTBML-NRFANRHFSA-N 0 1 498.691 5.105 50 0 JKAAMN CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C(C)C)CC1)C(C)C ZINC000034835704 569665082 /nfs/dbraw/zinc/66/50/82/569665082.db2.gz CNYDLPSUTIGSBS-DEOSSOPVSA-N 0 1 499.719 5.804 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)Cc1ccccc1Cl ZINC000034835940 569665156 /nfs/dbraw/zinc/66/51/56/569665156.db2.gz HDHQOBQPVLYSHH-UHFFFAOYSA-N 0 1 470.036 5.137 50 0 JKAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1ccccc1F)C(C)C ZINC000034836625 569665866 /nfs/dbraw/zinc/66/58/66/569665866.db2.gz NUGKWOONYYFVFF-UHFFFAOYSA-N 0 1 463.645 5.045 50 0 JKAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccccc1Cl ZINC000034836719 569665946 /nfs/dbraw/zinc/66/59/46/569665946.db2.gz FAWPOHAYNSRHLM-UHFFFAOYSA-N 0 1 466.073 5.170 50 0 JKAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000034836667 569665969 /nfs/dbraw/zinc/66/59/69/569665969.db2.gz ATCVYKIHAHVRSX-UHFFFAOYSA-N 0 1 478.084 5.313 50 0 JKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1)c1ccc(Br)cc1 ZINC000034915655 569671829 /nfs/dbraw/zinc/67/18/29/569671829.db2.gz PBWZNWJOADRGEF-HNNXBMFYSA-N 0 1 480.793 6.651 50 0 JKAAMN O=C(Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000065542083 569675855 /nfs/dbraw/zinc/67/58/55/569675855.db2.gz LLIRTUDFABOFDB-UHFFFAOYSA-N 0 1 498.486 5.216 50 0 JKAAMN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OC(C(=O)c3cccs3)c3cccs3)C2)cc1 ZINC000065563369 569675961 /nfs/dbraw/zinc/67/59/61/569675961.db2.gz PBUPUTXKPHNVJL-XMSQKQJNSA-N 0 1 453.585 5.138 50 0 JKAAMN CCc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000035372659 569683194 /nfs/dbraw/zinc/68/31/94/569683194.db2.gz NJNSPNZPTVYTNO-UHFFFAOYSA-N 0 1 469.054 5.288 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(C)cc1)=N2 ZINC000035372807 569683259 /nfs/dbraw/zinc/68/32/59/569683259.db2.gz VMZQDGZLYYTVMD-UHFFFAOYSA-N 0 1 455.027 5.034 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397164 569687750 /nfs/dbraw/zinc/68/77/50/569687750.db2.gz UHJCRYPLAMBEQW-UHFFFAOYSA-N 0 1 490.717 5.986 50 0 JKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397152 569687782 /nfs/dbraw/zinc/68/77/82/569687782.db2.gz UZIXATLDNJVRPG-UHFFFAOYSA-N 0 1 466.626 5.118 50 0 JKAAMN CCCC(=O)Nc1ccc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422726 569692928 /nfs/dbraw/zinc/69/29/28/569692928.db2.gz JNBUKFFNOMTFJK-MHZLTWQESA-N 0 1 492.019 5.688 50 0 JKAAMN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000069653694 569693621 /nfs/dbraw/zinc/69/36/21/569693621.db2.gz DLHFYUFBZLQSKR-QGZVFWFLSA-N 0 1 461.418 5.286 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427390 569694241 /nfs/dbraw/zinc/69/42/41/569694241.db2.gz NAIUCINKIONNDB-HHHXNRCGSA-N 0 1 482.653 6.362 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427441 569694391 /nfs/dbraw/zinc/69/43/91/569694391.db2.gz ULFDVCGUAGWVTI-SANMLTNESA-N 0 1 486.616 6.193 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427433 569694395 /nfs/dbraw/zinc/69/43/95/569694395.db2.gz HNLAVUQRQDAMNE-MHZLTWQESA-N 0 1 482.653 6.362 50 0 JKAAMN CC(C)OCCC[N@@H+](C)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000035450841 569696736 /nfs/dbraw/zinc/69/67/36/569696736.db2.gz VORZXIFGKYSGES-UHFFFAOYSA-N 0 1 488.028 5.006 50 0 JKAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n[nH]1 ZINC000072331269 569702884 /nfs/dbraw/zinc/70/28/84/569702884.db2.gz AIXCTWSEGBTHHF-UHFFFAOYSA-N 0 1 452.986 5.180 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)N(C)CC3)OCO2 ZINC000072332786 569703113 /nfs/dbraw/zinc/70/31/13/569703113.db2.gz KIIPWXWTCHRTLY-PUZWTLIVSA-N 0 1 479.661 5.980 50 0 biogenic JKAAMN COC(=O)c1ccccc1CN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035841155 569714022 /nfs/dbraw/zinc/71/40/22/569714022.db2.gz ZGOFOMDFKJBFHG-UHFFFAOYSA-N 0 1 458.524 6.000 50 0 JKAAMN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844783 569715328 /nfs/dbraw/zinc/71/53/28/569715328.db2.gz GTBSBYQPZYIBHC-OAQYLSRUSA-N 0 1 453.026 6.113 50 0 JKAAMN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844806 569715386 /nfs/dbraw/zinc/71/53/86/569715386.db2.gz KYDRCYGOWQBAKT-QFIPXVFZSA-N 0 1 476.617 5.247 50 0 JKAAMN COCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844863 569715410 /nfs/dbraw/zinc/71/54/10/569715410.db2.gz RROWKGKMMVDBSR-UHFFFAOYSA-N 0 1 490.688 5.996 50 0 JKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035848267 569716091 /nfs/dbraw/zinc/71/60/91/569716091.db2.gz VZKAIMHIEHYSMG-LCUIVBHPSA-N 0 1 494.566 5.340 50 0 JKAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000089457551 569718427 /nfs/dbraw/zinc/71/84/27/569718427.db2.gz ZYQXIABDZGCILG-UHFFFAOYSA-N 0 1 451.331 5.055 50 0 JKAAMN O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871433 569718796 /nfs/dbraw/zinc/71/87/96/569718796.db2.gz XRYZNNMREQSSSX-AZGAKELHSA-N 0 1 497.536 5.024 50 0 JKAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871737 569718981 /nfs/dbraw/zinc/71/89/81/569718981.db2.gz QAIYRSQDAWAHMC-TUDQOENJSA-N 0 1 490.047 5.089 50 0 JKAAMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)[nH]1 ZINC000095369254 569722913 /nfs/dbraw/zinc/72/29/13/569722913.db2.gz NQSFHDGVBIUGKF-UHFFFAOYSA-N 0 1 452.518 5.074 50 0 JKAAMN O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000035908040 569723653 /nfs/dbraw/zinc/72/36/53/569723653.db2.gz BBGGUECQDVGRJY-ZCYQVOJMSA-N 0 1 489.557 5.157 50 0 JKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(F)c(F)c2F)cc1 ZINC000095480029 569724640 /nfs/dbraw/zinc/72/46/40/569724640.db2.gz KZCFFJJSTJOZNF-CQSZACIVSA-N 0 1 468.383 5.033 50 0 JKAAMN CC(C)c1cc(C(C)C)c(-c2cccc(P(C3CCCCC3)C3CCCCC3)c2)c(C(C)C)c1 ZINC000095611365 569728082 /nfs/dbraw/zinc/72/80/82/569728082.db2.gz WIOWHADKSXUKEZ-UHFFFAOYSA-N 0 1 476.729 10.496 50 0 JKAAMN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925658 569729020 /nfs/dbraw/zinc/72/90/20/569729020.db2.gz AOZJQDRMSDIJGF-UHFFFAOYSA-N 0 1 480.538 5.109 50 0 JKAAMN Cc1ccc([S@@](=O)C2=CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918217 569729645 /nfs/dbraw/zinc/72/96/45/569729645.db2.gz MVARKEYZQHJVJJ-XIFFEERXSA-N 0 1 465.609 6.583 50 0 JKAAMN O=[S@](c1ccc(F)cc1)C1=CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918154 569729666 /nfs/dbraw/zinc/72/96/66/569729666.db2.gz KAVCHEAVDZHBBJ-XIFFEERXSA-N 0 1 469.572 6.413 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000096035923 569732090 /nfs/dbraw/zinc/73/20/90/569732090.db2.gz PXGLQTJSMNGMFK-UHFFFAOYSA-N 0 1 454.401 5.339 50 0 JKAAMN CCOc1cc(C(=O)Nc2cc(-c3cc4ccc(OC)cc4n3CC)n[nH]2)cc(OCC)c1OCC ZINC000096398661 569740309 /nfs/dbraw/zinc/74/03/09/569740309.db2.gz ASJATDNIABBIPG-UHFFFAOYSA-N 0 1 492.576 5.508 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000096791726 569743055 /nfs/dbraw/zinc/74/30/55/569743055.db2.gz GXPWKMBLSASAPE-VJGNERBWSA-N 0 1 486.568 5.234 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000096791722 569743090 /nfs/dbraw/zinc/74/30/90/569743090.db2.gz RHKJBKFWHYYCKC-VJGNERBWSA-N 0 1 486.568 5.315 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000096791722 569743091 /nfs/dbraw/zinc/74/30/91/569743091.db2.gz RHKJBKFWHYYCKC-VJGNERBWSA-N 0 1 486.568 5.315 50 0 JKAAMN Cc1ccsc1CN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C1CC1 ZINC000036202296 569757005 /nfs/dbraw/zinc/75/70/05/569757005.db2.gz LVMOQZQMORXDQU-UHFFFAOYSA-N 0 1 465.565 6.377 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC ZINC000036301689 569759123 /nfs/dbraw/zinc/75/91/23/569759123.db2.gz BQOCKFNTVKCBQF-JOCHJYFZSA-N 0 1 488.028 5.244 50 0 JKAAMN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036301835 569759319 /nfs/dbraw/zinc/75/93/19/569759319.db2.gz PVUZCHJZYHULDU-DEOSSOPVSA-N 0 1 498.067 6.014 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000100425383 569760062 /nfs/dbraw/zinc/76/00/62/569760062.db2.gz JGFDXCSKDDZJGE-JPQMRUPTSA-N 0 1 496.626 8.265 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100425258 569760078 /nfs/dbraw/zinc/76/00/78/569760078.db2.gz KAUMIFVSHVICQL-FWUCURJTSA-N 0 1 499.054 8.470 50 0 JKAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000100425063 569760082 /nfs/dbraw/zinc/76/00/82/569760082.db2.gz QGRFQIROZRHRLY-MHZLTWQESA-N 0 1 483.637 7.358 50 0 JKAAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000100425066 569760084 /nfs/dbraw/zinc/76/00/84/569760084.db2.gz QGRFQIROZRHRLY-HHHXNRCGSA-N 0 1 483.637 7.358 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000100425313 569760089 /nfs/dbraw/zinc/76/00/89/569760089.db2.gz BTPBNVVOURWSDY-WBBHLRKXSA-N 0 1 488.562 7.690 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100425235 569760094 /nfs/dbraw/zinc/76/00/94/569760094.db2.gz WJBUYSZQSZMZHP-MMTVBGGISA-N 0 1 456.973 7.300 50 0 JKAAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000100425780 569760200 /nfs/dbraw/zinc/76/02/00/569760200.db2.gz QUTKBWLGWRDVTL-SIBVEZHUSA-N 0 1 492.497 6.808 50 0 JKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4cccs4)[C@H]3c3ccco3)C2)cc1 ZINC000100426065 569760214 /nfs/dbraw/zinc/76/02/14/569760214.db2.gz UXQWBNUCWYBXEK-JRPXNJEYSA-N 0 1 494.616 7.442 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100426185 569760217 /nfs/dbraw/zinc/76/02/17/569760217.db2.gz CJMBTDBHGMGPLC-NGOKVRLYSA-N 0 1 472.972 6.919 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426204 569760347 /nfs/dbraw/zinc/76/03/47/569760347.db2.gz QQWJBMJEMJJMIA-AFJIDDCJSA-N 0 1 486.999 7.309 50 0 JKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000100426619 569760359 /nfs/dbraw/zinc/76/03/59/569760359.db2.gz MKPHVTAQTURYAD-MMTVBGGISA-N 0 1 472.972 6.919 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(C)=O)[C@@H]3c3cccs3)C2)cc1 ZINC000100427066 569760488 /nfs/dbraw/zinc/76/04/88/569760488.db2.gz UTAHNFIAQWQCCI-XHCCPWGMSA-N 0 1 458.583 6.635 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426948 569760533 /nfs/dbraw/zinc/76/05/33/569760533.db2.gz JCNGHFBQADSCAT-WRONEBCDSA-N 0 1 489.015 8.063 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(C)=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000100427158 569760548 /nfs/dbraw/zinc/76/05/48/569760548.db2.gz DIXLXEQBUVYAEO-LGGPFLRQSA-N 0 1 470.544 6.713 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccco3)C2)cc1 ZINC000100429446 569760744 /nfs/dbraw/zinc/76/07/44/569760744.db2.gz CQSGQIRHQUVHOS-YKGWIAGDSA-N 0 1 490.559 7.152 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429267 569760751 /nfs/dbraw/zinc/76/07/51/569760751.db2.gz RHXKHWNXNOYWAQ-ZTOMLWHTSA-N 0 1 460.533 7.144 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(F)c2)cc1 ZINC000100429692 569760835 /nfs/dbraw/zinc/76/08/35/569760835.db2.gz MDJPGTGLJLUWEZ-MMTVBGGISA-N 0 1 456.517 6.404 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313764 569760952 /nfs/dbraw/zinc/76/09/52/569760952.db2.gz XEBTWVOPJDZNOA-AREMUKBSSA-N 0 1 477.649 5.671 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313766 569761015 /nfs/dbraw/zinc/76/10/15/569761015.db2.gz XEBTWVOPJDZNOA-SANMLTNESA-N 0 1 477.649 5.671 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036313909 569761320 /nfs/dbraw/zinc/76/13/20/569761320.db2.gz GEKJKHWXWRPTMF-RUZDIDTESA-N 0 1 493.648 5.371 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313992 569761635 /nfs/dbraw/zinc/76/16/35/569761635.db2.gz XVVNDFYJXMSHCX-AHWVRZQESA-N 0 1 493.648 5.038 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036313955 569761656 /nfs/dbraw/zinc/76/16/56/569761656.db2.gz MCBHXDPUGQJOMY-HSZRJFAPSA-N 0 1 479.621 5.030 50 0 JKAAMN CCCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313972 569761662 /nfs/dbraw/zinc/76/16/62/569761662.db2.gz LHARKZGHRGUSJX-JOCHJYFZSA-N 0 1 455.574 5.018 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036313998 569761671 /nfs/dbraw/zinc/76/16/71/569761671.db2.gz SKQPFBLEJUGZDR-VWLOTQADSA-N 0 1 463.622 5.363 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036313930 569761710 /nfs/dbraw/zinc/76/17/10/569761710.db2.gz FWVQTJFOHXLBLO-QHCPKHFHSA-N 0 1 484.040 5.675 50 0 JKAAMN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316201 569762344 /nfs/dbraw/zinc/76/23/44/569762344.db2.gz CTROTXHDJJHRDD-MHZLTWQESA-N 0 1 499.655 5.915 50 0 JKAAMN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316200 569762416 /nfs/dbraw/zinc/76/24/16/569762416.db2.gz CTROTXHDJJHRDD-HHHXNRCGSA-N 0 1 499.655 5.915 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036316332 569762542 /nfs/dbraw/zinc/76/25/42/569762542.db2.gz CYUVIGGAGDCPHN-DEOSSOPVSA-N 0 1 477.649 5.615 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316281 569762558 /nfs/dbraw/zinc/76/25/58/569762558.db2.gz IPGZGWXTRSFWCX-DEOSSOPVSA-N 0 1 465.638 5.615 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COc1ccccc1)C(C)C ZINC000036316258 569762617 /nfs/dbraw/zinc/76/26/17/569762617.db2.gz CGTYQOKNFJADTL-VWLOTQADSA-N 0 1 485.628 5.877 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036316380 569762858 /nfs/dbraw/zinc/76/28/58/569762858.db2.gz DTYVJACHHDRHDK-DEOSSOPVSA-N 0 1 495.664 5.480 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)COC(C)C)CC1CC1 ZINC000036316483 569762984 /nfs/dbraw/zinc/76/29/84/569762984.db2.gz IUHJQNGJXCTIRZ-HSZRJFAPSA-N 0 1 481.612 5.364 50 0 JKAAMN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341383 569764533 /nfs/dbraw/zinc/76/45/33/569764533.db2.gz ZQSBFGXKJOMGHV-PMERELPUSA-N 0 1 495.667 5.944 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341784 569764812 /nfs/dbraw/zinc/76/48/12/569764812.db2.gz HPSMZUQBUXKCGF-HHHXNRCGSA-N 0 1 499.586 5.187 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036342061 569765332 /nfs/dbraw/zinc/76/53/32/569765332.db2.gz BGJFZLNKUAQODU-HSZRJFAPSA-N 0 1 469.601 5.499 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036342117 569765513 /nfs/dbraw/zinc/76/55/13/569765513.db2.gz BXGBBLKYONMTOU-RUZDIDTESA-N 0 1 481.612 5.358 50 0 JKAAMN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000100641699 569766022 /nfs/dbraw/zinc/76/60/22/569766022.db2.gz YDUIKULFHHFVTE-CBZJRKILSA-N 0 1 488.540 5.875 50 0 JKAAMN Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036344518 569767082 /nfs/dbraw/zinc/76/70/82/569767082.db2.gz VGENDUKSLVHEFE-PMERELPUSA-N 0 1 483.631 6.075 50 0 JKAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(Cc3ccccc3)CC2)[C@H](c2cc(C)ccc2C)C1 ZINC000036344688 569767305 /nfs/dbraw/zinc/76/73/05/569767305.db2.gz YAJVTBMQTGATAJ-PMERELPUSA-N 0 1 495.667 5.944 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344609 569767315 /nfs/dbraw/zinc/76/73/15/569767315.db2.gz MIMGRXDUUZUXGG-WJOKGBTCSA-N 0 1 479.668 6.244 50 0 JKAAMN Cc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036344865 569767425 /nfs/dbraw/zinc/76/74/25/569767425.db2.gz VCRXHOFAHCBJEN-LJAQVGFWSA-N 0 1 469.604 5.767 50 0 JKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345052 569767579 /nfs/dbraw/zinc/76/75/79/569767579.db2.gz FVYCZKVABPGJTG-GDLZYMKVSA-N 0 1 486.059 6.281 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036345858 569768378 /nfs/dbraw/zinc/76/83/78/569768378.db2.gz AVNXGZZPIFGHCZ-XMMPIXPASA-N 0 1 451.611 5.278 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036345866 569768451 /nfs/dbraw/zinc/76/84/51/569768451.db2.gz LSWSWNUHWDGRJB-XMMPIXPASA-N 0 1 465.638 5.668 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036345945 569768540 /nfs/dbraw/zinc/76/85/40/569768540.db2.gz YYCWZVBMHRUYDZ-SANMLTNESA-N 0 1 477.649 5.527 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COc1ccccc1 ZINC000036345910 569768567 /nfs/dbraw/zinc/76/85/67/569768567.db2.gz VNIVBPCUODSZHF-AREMUKBSSA-N 0 1 485.628 5.933 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036345914 569768582 /nfs/dbraw/zinc/76/85/82/569768582.db2.gz YGDPULJXMZICFJ-XMMPIXPASA-N 0 1 451.611 5.279 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036346052 569768794 /nfs/dbraw/zinc/76/87/94/569768794.db2.gz DRQZEXFBDUFOHD-JOCHJYFZSA-N 0 1 455.574 5.110 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1OC ZINC000100750382 569768895 /nfs/dbraw/zinc/76/88/95/569768895.db2.gz RYOHQUMVBIBPHS-DNOBIOAJSA-N 0 1 458.514 5.867 50 0 biogenic JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COC(C)C)C(C)C ZINC000036346289 569769395 /nfs/dbraw/zinc/76/93/95/569769395.db2.gz HZJHNYCMBLAKDT-QHCPKHFHSA-N 0 1 455.574 5.108 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346373 569769644 /nfs/dbraw/zinc/76/96/44/569769644.db2.gz RPNMVDJBOOWKOF-HSZRJFAPSA-N 0 1 455.574 5.110 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346379 569769760 /nfs/dbraw/zinc/76/97/60/569769760.db2.gz GQSYXXGXEGPZBG-XMMPIXPASA-N 0 1 469.601 5.358 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346527 569769869 /nfs/dbraw/zinc/76/98/69/569769869.db2.gz CVHXEMMEWZEYQF-RUZDIDTESA-N 0 1 479.665 5.923 50 0 JKAAMN COC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346503 569769872 /nfs/dbraw/zinc/76/98/72/569769872.db2.gz UUEWOVWFWXVSOK-QHCPKHFHSA-N 0 1 479.621 5.016 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346528 569769887 /nfs/dbraw/zinc/76/98/87/569769887.db2.gz CVHXEMMEWZEYQF-VWLOTQADSA-N 0 1 479.665 5.923 50 0 JKAAMN CCCN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)COCC ZINC000036346500 569769970 /nfs/dbraw/zinc/76/99/70/569769970.db2.gz BPBAEEUDTFFBRD-HSZRJFAPSA-N 0 1 481.637 5.406 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346556 569770045 /nfs/dbraw/zinc/77/00/45/569770045.db2.gz GDGIMGLQZDPWDV-SANMLTNESA-N 0 1 491.676 5.925 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346555 569770140 /nfs/dbraw/zinc/77/01/40/569770140.db2.gz GDGIMGLQZDPWDV-AREMUKBSSA-N 0 1 491.676 5.925 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346650 569770441 /nfs/dbraw/zinc/77/04/41/569770441.db2.gz 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5.808 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000253401224 570096540 /nfs/dbraw/zinc/09/65/40/570096540.db2.gz FLGLRJWTRKAETA-GOSISDBHSA-N 0 1 469.880 5.808 50 0 biogenic JKAAMN CSc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253401281 570096553 /nfs/dbraw/zinc/09/65/53/570096553.db2.gz FMOLJAPKVSTRIH-QGZVFWFLSA-N 0 1 464.926 5.982 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1ccc3ncccc3c1)CC(=O)O2 ZINC000253401230 570096562 /nfs/dbraw/zinc/09/65/62/570096562.db2.gz FLGLRJWTRKAETA-SFHVURJKSA-N 0 1 469.880 5.808 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000253410171 570097575 /nfs/dbraw/zinc/09/75/75/570097575.db2.gz MXHMSSXPBFHUFL-INIZCTEOSA-N 0 1 476.868 5.031 50 0 biogenic JKAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413782 570098331 /nfs/dbraw/zinc/09/83/31/570098331.db2.gz VQKIVQJEIITPIO-MRXNPFEDSA-N 0 1 478.884 5.277 50 0 biogenic JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@]43C)[nH]c2c1 ZINC000253532442 570103195 /nfs/dbraw/zinc/10/31/95/570103195.db2.gz YBTASYSZWGVCAL-JGXPBJLUSA-N 0 1 478.721 6.431 50 0 JKAAMN CC(O)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000253609341 570104534 /nfs/dbraw/zinc/10/45/34/570104534.db2.gz OUVBVUVUDJWLQL-KGLXUNSOSA-N 0 1 472.754 7.999 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)[nH]c2c1 ZINC000253614983 570104862 /nfs/dbraw/zinc/10/48/62/570104862.db2.gz PNDIQIYGAYXTNR-IQAZCUSPSA-N 0 1 462.722 7.460 50 0 JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000253623675 570105256 /nfs/dbraw/zinc/10/52/56/570105256.db2.gz FMCAAZWYLLYYCW-MRXNPFEDSA-N 0 1 485.879 5.514 50 0 biogenic JKAAMN FC(F)(F)c1ccc(N2CCN(Cc3ccc(-c4ccc(C(F)(F)F)cn4)cc3)CC2)cc1 ZINC000263639868 570173827 /nfs/dbraw/zinc/17/38/27/570173827.db2.gz MOXSCWGWXKUYPI-UHFFFAOYSA-N 0 1 465.441 6.108 50 0 JKAAMN Cc1nn(C)cc1CN1CCC(c2nnc(SCc3ccc(F)cc3)n2Cc2ccccc2)CC1 ZINC000299777309 570176102 /nfs/dbraw/zinc/17/61/02/570176102.db2.gz KJHIBNDUYHLCAR-UHFFFAOYSA-N 0 1 490.652 5.179 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2c([C@H]3CCC(=O)N3Cc3ccc(F)cc3)c3ccccc3n2C)cc1 ZINC000334163628 570185242 /nfs/dbraw/zinc/18/52/42/570185242.db2.gz ZFQDMEQFSUDYLQ-XMMPIXPASA-N 0 1 491.588 5.290 50 0 JKAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1)C1CC1 ZINC000001044861 194008368 /nfs/dbraw/zinc/00/83/68/194008368.db2.gz SQDUODTZNARVMS-UHFFFAOYSA-N 0 1 477.369 5.935 50 0 JKAAMN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000001049447 194009589 /nfs/dbraw/zinc/00/95/89/194009589.db2.gz ZZYVBNVILLTGBA-UHFFFAOYSA-N 0 1 486.977 5.187 50 0 JKAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl ZINC000001075738 194017912 /nfs/dbraw/zinc/01/79/12/194017912.db2.gz WYXGFXYHBPSISG-UHFFFAOYSA-N 0 1 469.777 6.008 50 0 JKAAMN Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)ccc1Br ZINC000001075718 194017948 /nfs/dbraw/zinc/01/79/48/194017948.db2.gz XTZHNYXRJJJIPX-UHFFFAOYSA-N 0 1 479.783 5.464 50 0 JKAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1Cl ZINC000001057556 194011418 /nfs/dbraw/zinc/01/14/18/194011418.db2.gz UWPZHYWDTBJDTR-UHFFFAOYSA-N 0 1 450.947 5.855 50 0 JKAAMN Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)ccc1Br ZINC000001059462 194012044 /nfs/dbraw/zinc/01/20/44/194012044.db2.gz HRVBHMFTODVWEX-UHFFFAOYSA-N 0 1 493.810 5.772 50 0 JKAAMN Cc1[nH]c2ccccc2c1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001065247 194013795 /nfs/dbraw/zinc/01/37/95/194013795.db2.gz UQFMVWUPNNGDJG-INIZCTEOSA-N 0 1 452.190 5.520 50 0 JKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1C ZINC000001077547 194018738 /nfs/dbraw/zinc/01/87/38/194018738.db2.gz QACAURZPPZPIOH-UHFFFAOYSA-N 0 1 482.911 6.029 50 0 JKAAMN CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000001078499 194019325 /nfs/dbraw/zinc/01/93/25/194019325.db2.gz APWVQSFBNVOZFN-UHFFFAOYSA-N 0 1 486.977 5.187 50 0 JKAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000001130727 194038983 /nfs/dbraw/zinc/03/89/83/194038983.db2.gz CZOUAMIXOSIGOC-UHFFFAOYSA-N 0 1 488.565 5.424 50 0 JKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000001161268 194054950 /nfs/dbraw/zinc/05/49/50/194054950.db2.gz TXLFUTMVOGJQQB-INIZCTEOSA-N 0 1 491.034 5.577 50 0 JKAAMN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1)c1ccccc1 ZINC000001196873 194067778 /nfs/dbraw/zinc/06/77/78/194067778.db2.gz BGUZLSODRLLPRW-UHFFFAOYSA-N 0 1 455.750 5.700 50 0 JKAAMN O=S(=O)(Nc1nccs1)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000001180495 194063027 /nfs/dbraw/zinc/06/30/27/194063027.db2.gz DZZZWMZBDVOBAJ-UHFFFAOYSA-N 0 1 494.001 5.951 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SCc1cccc(C)c1)=N2 ZINC000001394581 194114517 /nfs/dbraw/zinc/11/45/17/194114517.db2.gz UMFCXVBUNAHMCR-JOCHJYFZSA-N 0 1 471.582 5.147 50 0 JKAAMN O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001426011 194119151 /nfs/dbraw/zinc/11/91/51/194119151.db2.gz KCGSJYWHUZKLLO-UHFFFAOYSA-N 0 1 454.857 5.412 50 0 JKAAMN Cc1ccc2nc(SCC(=O)Nc3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)[nH]c2c1 ZINC000001444510 194122326 /nfs/dbraw/zinc/12/23/26/194122326.db2.gz YRSCGFBGPTWPLU-UHFFFAOYSA-N 0 1 484.503 5.873 50 0 JKAAMN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)c(Cl)c1Cl ZINC000002842225 194166304 /nfs/dbraw/zinc/16/63/04/194166304.db2.gz FEBGUENSSIISSI-UHFFFAOYSA-N 0 1 468.427 6.404 50 0 JKAAMN CC(=O)Nc1cc(C(=O)NCCN2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 ZINC000003049122 194218333 /nfs/dbraw/zinc/21/83/33/194218333.db2.gz WEVMDFIBAIOAOY-UHFFFAOYSA-N 0 1 480.033 5.238 50 0 JKAAMN CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC000003190271 194236728 /nfs/dbraw/zinc/23/67/28/194236728.db2.gz GRPPLTVZUQVNQK-NRFANRHFSA-N 0 1 494.503 8.179 50 0 JKAAMN O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000003241891 194248781 /nfs/dbraw/zinc/24/87/81/194248781.db2.gz BJKVRRXRCNFILF-UHFFFAOYSA-N 0 1 490.195 6.353 50 0 JKAAMN Cc1cc(Nc2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000003289979 194266359 /nfs/dbraw/zinc/26/63/59/194266359.db2.gz OWWCRTQKVWVTMZ-UHFFFAOYSA-N 0 1 475.600 5.190 50 0 JKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000003294046 194269049 /nfs/dbraw/zinc/26/90/49/194269049.db2.gz AZZXFSGIRVTSMC-UHFFFAOYSA-N 0 1 493.354 5.040 50 0 JKAAMN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000003348369 194294768 /nfs/dbraw/zinc/29/47/68/194294768.db2.gz USDJVLTZYZBPRT-UHFFFAOYSA-N 0 1 470.904 5.145 50 0 JKAAMN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000003359795 194299659 /nfs/dbraw/zinc/29/96/59/194299659.db2.gz CUHRDDYPHNNKMV-UHFFFAOYSA-N 0 1 486.022 5.900 50 0 JKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000003408559 194314635 /nfs/dbraw/zinc/31/46/35/194314635.db2.gz PUXJUUBEHZDJQV-UHFFFAOYSA-N 0 1 450.951 5.532 50 0 JKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000003437818 194324333 /nfs/dbraw/zinc/32/43/33/194324333.db2.gz ASTONMIMZXXRQW-UHFFFAOYSA-N 0 1 479.005 5.455 50 0 JKAAMN Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635629 194345212 /nfs/dbraw/zinc/34/52/12/194345212.db2.gz NORADKFZOAXIAO-UHFFFAOYSA-N 0 1 451.935 5.250 50 0 JKAAMN Cc1oc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2c1C(=O)OCc1ccccc1 ZINC000003656734 194353463 /nfs/dbraw/zinc/35/34/63/194353463.db2.gz WYNCUIWTBQLMIW-UHFFFAOYSA-N 0 1 472.522 5.447 50 0 JKAAMN FC(F)Sc1ccccc1NC(=S)NNc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000003771020 194361271 /nfs/dbraw/zinc/36/12/71/194361271.db2.gz LWPWTDXRDZDLSG-UHFFFAOYSA-N 0 1 464.177 6.323 50 0 JKAAMN Cc1oc2c(cc(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc23)c1C(=O)OC(C)C ZINC000008438962 194447384 /nfs/dbraw/zinc/44/73/84/194447384.db2.gz FSIBCRQRNPFDSW-UHFFFAOYSA-N 0 1 473.550 6.414 50 0 JKAAMN COCCCNC(=O)CSc1nc(-c2ccc(Br)cc2)[nH]c1-c1ccc(C)cc1 ZINC000009674161 194880629 /nfs/dbraw/zinc/88/06/29/194880629.db2.gz WBPIPYOQIFDXQZ-UHFFFAOYSA-N 0 1 474.424 5.059 50 0 JKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009942500 195029906 /nfs/dbraw/zinc/02/99/06/195029906.db2.gz HFVNWUIIHCGCSZ-UHFFFAOYSA-N 0 1 455.002 5.493 50 0 JKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000009942449 195029983 /nfs/dbraw/zinc/02/99/83/195029983.db2.gz YVGUQIBRXYVIJV-UHFFFAOYSA-N 0 1 450.583 5.092 50 0 JKAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000012605123 195050559 /nfs/dbraw/zinc/05/05/59/195050559.db2.gz YAXXTMQUXVGTSQ-UHFFFAOYSA-N 0 1 491.363 5.009 50 0 JKAAMN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000012627630 195060321 /nfs/dbraw/zinc/06/03/21/195060321.db2.gz YZGVXXBTWFNGJI-UHFFFAOYSA-N 0 1 482.418 5.512 50 0 JKAAMN COc1ccc(NC(=O)[C@@H](Sc2nc(Cc3ccccc3)c(C)[nH]2)c2ccccc2)cc1Cl ZINC000012631967 195064114 /nfs/dbraw/zinc/06/41/14/195064114.db2.gz QYCRTYLBHUUEKP-DEOSSOPVSA-N 0 1 478.017 6.443 50 0 JKAAMN COc1ccc(Br)cc1-c1nc(CN[C@@H](C)c2cccc3ccccc32)cs1 ZINC000012787908 195129454 /nfs/dbraw/zinc/12/94/54/195129454.db2.gz QWUGTKPMJBKFGW-HNNXBMFYSA-N 0 1 453.405 6.585 50 0 JKAAMN CC(=O)N(c1nc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cs1)c1ccccc1 ZINC000012805985 195141556 /nfs/dbraw/zinc/14/15/56/195141556.db2.gz CXPFMKPQCXRZTP-XIQMRYHBSA-N 0 1 495.048 5.448 50 0 JKAAMN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(Cc2nc(-c3ccccc3C)no2)CC1 ZINC000012854462 195156490 /nfs/dbraw/zinc/15/64/90/195156490.db2.gz KCWCBYNJBKFKGS-QHCPKHFHSA-N 0 1 451.542 5.133 50 0 JKAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020718980 195206354 /nfs/dbraw/zinc/20/63/54/195206354.db2.gz LZNPCDMFCBZUGJ-RUZDIDTESA-N 0 1 486.959 5.449 50 0 JKAAMN 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CCc1c(C)sc2c1CCN(Cc1nc(-c3ccccc3Cl)oc1C)[C@@H]2c1ccccc1 ZINC000021045859 195271603 /nfs/dbraw/zinc/27/16/03/195271603.db2.gz UGJPOEOPNQSOTG-RUZDIDTESA-N 0 1 463.046 7.383 50 0 JKAAMN Cc1ccc2nc3sc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5C)CC4)cc3cc2c1 ZINC000021087453 195273845 /nfs/dbraw/zinc/27/38/45/195273845.db2.gz IZRHNCBKNMFVBL-UHFFFAOYSA-N 0 1 493.076 5.662 50 0 JKAAMN CC(=O)N1N=C(c2cc(-c3ccc4c5c(cccc53)CC4)n[nH]2)O[C@H]1c1cccc(Cl)c1Cl ZINC000021151715 195283295 /nfs/dbraw/zinc/28/32/95/195283295.db2.gz TZWSRDZNIZZBSD-VWLOTQADSA-N 0 1 477.351 5.874 50 0 JKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000021367917 195300262 /nfs/dbraw/zinc/30/02/62/195300262.db2.gz ITSUGJFDVXVSGW-KRWDZBQOSA-N 0 1 496.007 5.164 50 0 JKAAMN O[C@](c1ccc(Br)cc1)([C@@H](CN1CCOCC1)c1ccccc1)C1CCCCC1 ZINC000021523096 195303807 /nfs/dbraw/zinc/30/38/07/195303807.db2.gz MKCWNMODGUNHIW-LOSJGSFVSA-N 0 1 458.440 5.333 50 0 JKAAMN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccccc1 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Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009123987 554914719 /nfs/dbraw/zinc/91/47/19/554914719.db2.gz UQQNENLEEMNVAQ-QHCPKHFHSA-N 0 1 465.340 5.538 50 0 JKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009124118 554915003 /nfs/dbraw/zinc/91/50/03/554915003.db2.gz AHLZVMICULJXKW-HSZRJFAPSA-N 0 1 489.373 5.302 50 0 JKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009124246 554915252 /nfs/dbraw/zinc/91/52/52/554915252.db2.gz HBRLIIZIUTZUNL-SANMLTNESA-N 0 1 452.558 5.663 50 0 JKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009124245 554915330 /nfs/dbraw/zinc/91/53/30/554915330.db2.gz HBRLIIZIUTZUNL-AREMUKBSSA-N 0 1 452.558 5.663 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(SC)cc2)cc1 ZINC000009124388 554915487 /nfs/dbraw/zinc/91/54/87/554915487.db2.gz HKNZEYKNSAVGMP-AREMUKBSSA-N 0 1 471.582 5.301 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000009124631 554916012 /nfs/dbraw/zinc/91/60/12/554916012.db2.gz GCGDZCICOPMPCW-SANMLTNESA-N 0 1 489.959 5.241 50 0 JKAAMN COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 ZINC000009129491 554927783 /nfs/dbraw/zinc/92/77/83/554927783.db2.gz CQPHOMFSTOSWPM-UHFFFAOYSA-N 0 1 458.411 6.195 50 0 JKAAMN Oc1cc(OCc2ccccc2)ccc1-c1[nH]nc(C(F)(F)F)c1-c1ccc(Br)cc1 ZINC000009160114 554949783 /nfs/dbraw/zinc/94/97/83/554949783.db2.gz RLJJWVWTELISMQ-UHFFFAOYSA-N 0 1 489.291 6.810 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccccc2)cc1OC ZINC000009243057 555017835 /nfs/dbraw/zinc/01/78/35/555017835.db2.gz YICSGQQOEZUYAQ-MHZLTWQESA-N 0 1 483.568 5.204 50 0 JKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(Oc4ccccc4)c2)N(CCO)C3=O)cc1Cl ZINC000009243108 555017978 /nfs/dbraw/zinc/01/79/78/555017978.db2.gz WCZVPZXHZVGQAN-RUZDIDTESA-N 0 1 475.932 5.074 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009243437 555018394 /nfs/dbraw/zinc/01/83/94/555018394.db2.gz JSXAOEPHVIRZFD-AREMUKBSSA-N 0 1 489.959 5.246 50 0 JKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2cccc(OCCC(C)C)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009243454 555018433 /nfs/dbraw/zinc/01/84/33/555018433.db2.gz MYKLZVYOQKQNRO-MUUNZHRXSA-N 0 1 496.611 5.964 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2cccc(Cl)c2)cc1OC ZINC000009243753 555018749 /nfs/dbraw/zinc/01/87/49/555018749.db2.gz XEXGKXHHRGSNTL-AREMUKBSSA-N 0 1 489.959 5.241 50 0 JKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(OCCC(C)C)c2)N(CCCO)C3=O)cc1Cl ZINC000009243761 555018777 /nfs/dbraw/zinc/01/87/77/555018777.db2.gz KGUGFPDJALEREF-RUZDIDTESA-N 0 1 483.996 5.097 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000009243754 555018789 /nfs/dbraw/zinc/01/87/89/555018789.db2.gz XEXGKXHHRGSNTL-SANMLTNESA-N 0 1 489.959 5.241 50 0 JKAAMN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000009244640 555019770 /nfs/dbraw/zinc/01/97/70/555019770.db2.gz GYBMJMBEIPGQRW-DEOSSOPVSA-N 0 1 459.546 5.184 50 0 JKAAMN CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000009253708 555029155 /nfs/dbraw/zinc/02/91/55/555029155.db2.gz GYIQKYYJNQQOIJ-VWLOTQADSA-N 0 1 464.631 6.155 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000009293277 555068471 /nfs/dbraw/zinc/06/84/71/555068471.db2.gz UOCPEYAAYOJILM-KALPRAJFSA-N 0 1 486.930 5.041 50 0 JKAAMN COc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000009307742 555080904 /nfs/dbraw/zinc/08/09/04/555080904.db2.gz XYTOZJVLVMHAAC-HHHXNRCGSA-N 0 1 453.586 5.539 50 0 JKAAMN COc1ccc2nc(NC(=O)CSc3nc(-c4ccc(Cl)cc4Cl)n[nH]3)sc2c1 ZINC000009328755 555099320 /nfs/dbraw/zinc/09/93/20/555099320.db2.gz UCGFUQOAPUQMNX-UHFFFAOYSA-N 0 1 466.375 5.128 50 0 JKAAMN COC(=O)c1c(CN(C)C23CC4CC(CC(C4)C2)C3)nc2n(Cc3ccccc3)c3ccccc3n12 ZINC000009350838 555117156 /nfs/dbraw/zinc/11/71/56/555117156.db2.gz HSWRKJAWORETBM-UHFFFAOYSA-N 0 1 482.628 5.525 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 ZINC000009354788 555119155 /nfs/dbraw/zinc/11/91/55/555119155.db2.gz WHAFXHJLUHBYQB-UHFFFAOYSA-N 0 1 491.638 6.097 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000009354792 555119174 /nfs/dbraw/zinc/11/91/74/555119174.db2.gz UYRZYVCDOVSGLV-UHFFFAOYSA-N 0 1 455.586 5.233 50 0 JKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c(C)c1 ZINC000009356415 555121321 /nfs/dbraw/zinc/12/13/21/555121321.db2.gz GSFXFRRMHPWMCX-UHFFFAOYSA-N 0 1 493.810 5.772 50 0 JKAAMN FC(F)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000009357008 555122112 /nfs/dbraw/zinc/12/21/12/555122112.db2.gz IOGFOCZGSRLWIU-RUZDIDTESA-N 0 1 475.539 5.824 50 0 JKAAMN COc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1 ZINC000009380457 555142458 /nfs/dbraw/zinc/14/24/58/555142458.db2.gz UAJBITFLWAWKIE-UHFFFAOYSA-N 0 1 450.513 7.137 50 0 JKAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009409100 555173039 /nfs/dbraw/zinc/17/30/39/555173039.db2.gz LPHIKWZZCPMSOJ-QFIPXVFZSA-N 0 1 460.361 5.449 50 0 JKAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000009409121 555173077 /nfs/dbraw/zinc/17/30/77/555173077.db2.gz LJVZREBLJXFCME-AREMUKBSSA-N 0 1 463.578 5.322 50 0 JKAAMN CC(C)CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000009409128 555173087 /nfs/dbraw/zinc/17/30/87/555173087.db2.gz MZNGBUFRPAWSLM-MHZLTWQESA-N 0 1 477.605 5.568 50 0 JKAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000009409156 555173285 /nfs/dbraw/zinc/17/32/85/555173285.db2.gz HGRGFATUSQUHLJ-LJAQVGFWSA-N 0 1 481.596 6.139 50 0 JKAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)c1 ZINC000009409163 555173329 /nfs/dbraw/zinc/17/33/29/555173329.db2.gz VAKANLAYGMAQIS-GDLZYMKVSA-N 0 1 481.596 6.139 50 0 JKAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)cc2)c1 ZINC000009409183 555173359 /nfs/dbraw/zinc/17/33/59/555173359.db2.gz JOJGBKXJIMHDMX-GDLZYMKVSA-N 0 1 497.595 5.758 50 0 JKAAMN CCOc1ccccc1CNC[C@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000009409348 555174119 /nfs/dbraw/zinc/17/41/19/555174119.db2.gz XFOCIDRBBPJOQI-VWLOTQADSA-N 0 1 486.612 5.378 50 0 JKAAMN COc1ccccc1-c1c(C(F)(F)F)n[nH]c1-c1ccc(OCc2ccc(C)cc2)cc1O ZINC000009410049 555175670 /nfs/dbraw/zinc/17/56/70/555175670.db2.gz AOIUDCQTUIZTGL-UHFFFAOYSA-N 0 1 454.448 6.364 50 0 JKAAMN COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC ZINC000009410809 555177627 /nfs/dbraw/zinc/17/76/27/555177627.db2.gz MMMOHAQJRRPLRV-UHFFFAOYSA-N 0 1 488.437 6.203 50 0 JKAAMN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)c1 ZINC000009428547 555194187 /nfs/dbraw/zinc/19/41/87/555194187.db2.gz SOTFIHHJHUBBKJ-FEVNIDIWSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)c1 ZINC000009428547 555194189 /nfs/dbraw/zinc/19/41/89/555194189.db2.gz SOTFIHHJHUBBKJ-FEVNIDIWSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1C ZINC000009468199 555247277 /nfs/dbraw/zinc/24/72/77/555247277.db2.gz FKSPAHKCQMYXFR-UHFFFAOYSA-N 0 1 464.465 5.076 50 0 JKAAMN COc1cccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000009498808 555283379 /nfs/dbraw/zinc/28/33/79/555283379.db2.gz PXCQRVNRJXGYLM-MHZLTWQESA-N 0 1 453.586 5.539 50 0 JKAAMN COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000009508180 555293873 /nfs/dbraw/zinc/29/38/73/555293873.db2.gz RUXFDOTZWXTQPS-UHFFFAOYSA-N 0 1 498.910 5.349 50 0 JKAAMN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccc(C)cc2)cc1OC ZINC000009512798 555302881 /nfs/dbraw/zinc/30/28/81/555302881.db2.gz WPUKICMTPQCRIT-UHFFFAOYSA-N 0 1 459.571 5.800 50 0 JKAAMN Nc1ccc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5ccc(N)cc5)c(Cl)cc4[nH]3)cc2)cc1 ZINC000009514523 555305287 /nfs/dbraw/zinc/30/52/87/555305287.db2.gz UHADSNUTNSXNLU-UHFFFAOYSA-N 0 1 496.958 5.552 50 0 JKAAMN Cc1ccc2nc3sc(C(=O)NCC4CCN(Cc5ccccc5Cl)CC4)cc3cc2c1 ZINC000009528752 555322524 /nfs/dbraw/zinc/32/25/24/555322524.db2.gz KKLLSQHIIYGLNR-UHFFFAOYSA-N 0 1 464.034 6.053 50 0 JKAAMN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(Cc3ccccc3)CC2)cc1 ZINC000009531099 555325862 /nfs/dbraw/zinc/32/58/62/555325862.db2.gz ZSOPKBGGTZBMIQ-UHFFFAOYSA-N 0 1 475.596 5.418 50 0 JKAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(Cl)cc3[nH]1)C[C@@H](C)CC2 ZINC000013141732 555339331 /nfs/dbraw/zinc/33/93/31/555339331.db2.gz GVMIUGYKYFMRNH-NSHDSACASA-N 0 1 464.012 5.310 50 0 JKAAMN CCN1CCN(c2nc(/C=C/c3ccc(Br)cc3)nc3sc4c(c32)CCCC4)CC1 ZINC000013145584 555342970 /nfs/dbraw/zinc/34/29/70/555342970.db2.gz MEXZDRKOTKPHTL-FMIVXFBMSA-N 0 1 483.479 5.645 50 0 JKAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009549014 555346270 /nfs/dbraw/zinc/34/62/70/555346270.db2.gz NIEYFQGPIVEVQA-INIZCTEOSA-N 0 1 451.602 5.065 50 0 JKAAMN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(Cl)c(C)cc3OC)cc2)n1 ZINC000009572529 555369242 /nfs/dbraw/zinc/36/92/42/555369242.db2.gz GPPABFHFFNIHAW-UHFFFAOYSA-N 0 1 490.029 5.146 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Nc4ccccc4)cc3C)s2)cc1 ZINC000013349156 555379213 /nfs/dbraw/zinc/37/92/13/555379213.db2.gz SIIJVJQWOMVXQZ-UHFFFAOYSA-N 0 1 452.561 5.358 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Nc4cccc(F)c4)cc3C)s2)cc1 ZINC000013349238 555379229 /nfs/dbraw/zinc/37/92/29/555379229.db2.gz XSTCWFOOMXRRJJ-UHFFFAOYSA-N 0 1 470.551 5.497 50 0 JKAAMN O=c1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc(Oc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 ZINC000013400835 555395762 /nfs/dbraw/zinc/39/57/62/555395762.db2.gz KJXNODUWSPCTQR-UHFFFAOYSA-N 0 1 485.167 6.699 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000009674112 555398965 /nfs/dbraw/zinc/39/89/65/555398965.db2.gz HGTDITBFSKNXCE-UHFFFAOYSA-N 0 1 463.559 5.071 50 0 JKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1OC ZINC000009674127 555399007 /nfs/dbraw/zinc/39/90/07/555399007.db2.gz WOTOVRSSGFGEER-UHFFFAOYSA-N 0 1 483.977 5.416 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)cc3)c(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000009674246 555399309 /nfs/dbraw/zinc/39/93/09/555399309.db2.gz IRBJQBJYNWKYTJ-UHFFFAOYSA-N 0 1 477.561 5.939 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc(F)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000009674241 555399438 /nfs/dbraw/zinc/39/94/38/555399438.db2.gz SAGBSTVXZVENEW-UHFFFAOYSA-N 0 1 463.534 5.631 50 0 JKAAMN COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000009674190 555399447 /nfs/dbraw/zinc/39/94/47/555399447.db2.gz OVHRXEGCVAVRKD-UHFFFAOYSA-N 0 1 475.570 5.500 50 0 JKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679525 555406451 /nfs/dbraw/zinc/40/64/51/555406451.db2.gz XJYAZFMUHQWBNO-JOCHJYFZSA-N 0 1 492.329 5.359 50 0 JKAAMN 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ZINC000009707425 555430271 /nfs/dbraw/zinc/43/02/71/555430271.db2.gz KLHBMWURLQZFKE-UHFFFAOYSA-N 0 1 477.586 5.017 50 0 JKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000009715549 555447889 /nfs/dbraw/zinc/44/78/89/555447889.db2.gz PHNQYLXHSJUQIB-UHFFFAOYSA-N 0 1 453.383 5.081 50 0 JKAAMN CCc1ccc(N=C2C[C@@H](c3ccc4oc5ccccc5c4c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000009614285 555450768 /nfs/dbraw/zinc/45/07/68/555450768.db2.gz JQZWGCOWIOOOLR-LJAQVGFWSA-N 0 1 472.588 7.795 50 0 JKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000009731774 555468645 /nfs/dbraw/zinc/46/86/45/555468645.db2.gz LGMBVDGBBAEPBH-HRAATJIYSA-N 0 1 474.443 5.319 50 0 JKAAMN COc1cc(OC)c(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1OC ZINC000013532570 555488055 /nfs/dbraw/zinc/48/80/55/555488055.db2.gz UATJHQIWYAPWDI-UHFFFAOYSA-N 0 1 455.341 6.743 50 0 JKAAMN COc1ccc(-c2n[nH]c(SCc3csc(N(C(C)=O)c4ccccc4F)n3)n2)cc1 ZINC000009767966 555491963 /nfs/dbraw/zinc/49/19/63/555491963.db2.gz 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Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1Br ZINC000013644786 555550249 /nfs/dbraw/zinc/55/02/49/555550249.db2.gz VJUMRCOMKCRYIE-UHFFFAOYSA-N 0 1 469.357 7.979 50 0 JKAAMN Oc1c2c(c(O)n1-c1cc(Cl)cc(Cl)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000013647943 555552412 /nfs/dbraw/zinc/55/24/12/555552412.db2.gz IWVMXDZNASXNLL-DSNGMDLFSA-N 0 1 489.358 6.198 50 0 JKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(F)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000013658910 555555593 /nfs/dbraw/zinc/55/55/93/555555593.db2.gz MHLNKFGUIRISRN-DSNGMDLFSA-N 0 1 472.903 5.683 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013660666 555556274 /nfs/dbraw/zinc/55/62/74/555556274.db2.gz NGKKCMHSBRWVPL-QXTIUPHPSA-N 0 1 480.951 5.713 50 0 JKAAMN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013660666 555556276 /nfs/dbraw/zinc/55/62/76/555556276.db2.gz NGKKCMHSBRWVPL-QXTIUPHPSA-N 0 1 480.951 5.713 50 0 JKAAMN 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Cc1nc2sccn2c1CN1CCC2(C[C@@H]2C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000011912225 555860617 /nfs/dbraw/zinc/86/06/17/555860617.db2.gz IKSVGCHSRAFLGC-AREMUKBSSA-N 0 1 498.696 5.645 50 0 JKAAMN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(C/C=C/c1ccco1)CC2 ZINC000015072410 555871293 /nfs/dbraw/zinc/87/12/93/555871293.db2.gz ILBQCIJKDIRFOH-NRWLJYDGSA-N 0 1 454.614 5.733 50 0 JKAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000011966009 555871827 /nfs/dbraw/zinc/87/18/27/555871827.db2.gz HWRLBIRJNJVNDH-UHFFFAOYSA-N 0 1 475.658 5.489 50 0 JKAAMN COc1cccc(CN2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1OC ZINC000012001769 555882459 /nfs/dbraw/zinc/88/24/59/555882459.db2.gz GFTJQBQLOSAPID-XMMPIXPASA-N 0 1 498.570 5.171 50 0 JKAAMN CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000012131529 555911946 /nfs/dbraw/zinc/91/19/46/555911946.db2.gz DYHNGDDSLZVZMF-HSZRJFAPSA-N 0 1 480.992 5.257 50 0 JKAAMN O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000015634927 555920623 /nfs/dbraw/zinc/92/06/23/555920623.db2.gz JIKRSYXPHUTIAQ-UHFFFAOYSA-N 0 1 495.359 5.535 50 0 JKAAMN COc1cccc(Cn2c(=O)c(CN(C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)cc3ccc(F)cc32)c1 ZINC000012151085 555923496 /nfs/dbraw/zinc/92/34/96/555923496.db2.gz DZAFXIGXRYZSFC-HXUWFJFHSA-N 0 1 496.586 5.781 50 0 JKAAMN O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(-c2ccccc2)cc1 ZINC000012151484 555924190 /nfs/dbraw/zinc/92/41/90/555924190.db2.gz CGEUXIVNSSOJCS-BVAGGSTKSA-N 0 1 468.626 5.244 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000015669826 555924460 /nfs/dbraw/zinc/92/44/60/555924460.db2.gz OMWRQPLYLXSEDW-UHFFFAOYSA-N 0 1 481.508 6.300 50 0 JKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 ZINC000015669803 555924541 /nfs/dbraw/zinc/92/45/41/555924541.db2.gz GUFWFRMNDGWTHH-KRWDZBQOSA-N 0 1 478.504 6.203 50 0 JKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 ZINC000015669802 555924642 /nfs/dbraw/zinc/92/46/42/555924642.db2.gz GUFWFRMNDGWTHH-QGZVFWFLSA-N 0 1 478.504 6.203 50 0 JKAAMN O=C(CCC1CCCCC1)N1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012152214 555926077 /nfs/dbraw/zinc/92/60/77/555926077.db2.gz DOYZDIXGMOPOGN-UHFFFAOYSA-N 0 1 477.649 5.207 50 0 JKAAMN COc1ccc([C@H](CC(=O)NCc2ccccc2)Sc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000012176569 555934280 /nfs/dbraw/zinc/93/42/80/555934280.db2.gz IBWSUKYFASUYCC-QFIPXVFZSA-N 0 1 462.550 5.159 50 0 JKAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(n2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000012242325 555945597 /nfs/dbraw/zinc/94/55/97/555945597.db2.gz UEVFLTGWWFZKOR-UHFFFAOYSA-N 0 1 477.568 5.483 50 0 JKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000012323663 555953098 /nfs/dbraw/zinc/95/30/98/555953098.db2.gz GTUYPRGIDGSWQU-MHZLTWQESA-N 0 1 464.525 5.060 50 0 JKAAMN COCCN1CCN([C@@H](C)c2cc(Cl)ccc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000022789130 555954772 /nfs/dbraw/zinc/95/47/72/555954772.db2.gz YYYQCJRFRWSBHS-HNNXBMFYSA-N 0 1 459.870 6.123 50 0 JKAAMN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)N=[S@@](C)(=O)c1ccccc1 ZINC000012367098 555960205 /nfs/dbraw/zinc/96/02/05/555960205.db2.gz XZRJLINLIKCYDO-LJAQVGFWSA-N 0 1 468.387 5.128 50 0 JKAAMN Cc1nc2sc([C@@H](c3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852754 555960252 /nfs/dbraw/zinc/96/02/52/555960252.db2.gz XGUANDBDUCMMTB-AREMUKBSSA-N 0 1 495.652 5.301 50 0 JKAAMN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022920393 555974053 /nfs/dbraw/zinc/97/40/53/555974053.db2.gz LSBVAXLCHHEOJD-IBGZPJMESA-N 0 1 468.428 5.728 50 0 JKAAMN Cc1ccc(-c2nn(CN3CCN(Cc4ccccc4)CC3)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000022927272 555978079 /nfs/dbraw/zinc/97/80/79/555978079.db2.gz HFXCUICWPGLHTI-UHFFFAOYSA-N 0 1 497.712 6.277 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000012508490 555991566 /nfs/dbraw/zinc/99/15/66/555991566.db2.gz IHMBDYSFJTYLDK-UHFFFAOYSA-N 0 1 457.360 5.117 50 0 JKAAMN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022942455 555992934 /nfs/dbraw/zinc/99/29/34/555992934.db2.gz ITJVTCKCBYZQEQ-QHCPKHFHSA-N 0 1 471.428 5.140 50 0 JKAAMN CCn1c2ccccc2c2cc([P@@](=Nc3ccc(C)cc3C)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524696 555993699 /nfs/dbraw/zinc/99/36/99/555993699.db2.gz KXQMLSLZRGCSNG-UUWRZZSWSA-N 0 1 471.629 8.399 50 0 JKAAMN CCn1c2ccccc2c2cc([P@](=Nc3ccc(C)cc3C)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524697 555993708 /nfs/dbraw/zinc/99/37/08/555993708.db2.gz KXQMLSLZRGCSNG-UMSFTDKQSA-N 0 1 471.629 8.399 50 0 JKAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3ccc(OCC)cc3[nH]1)C[C@@H](C)CC2 ZINC000012530051 555999981 /nfs/dbraw/zinc/99/99/81/555999981.db2.gz CGNHRYGJDDIOMC-KBPBESRZSA-N 0 1 487.647 5.444 50 0 JKAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3ccc(OCC)cc3[nH]1)C[C@H](C)CC2 ZINC000012530056 555999997 /nfs/dbraw/zinc/99/99/97/555999997.db2.gz CGNHRYGJDDIOMC-KGLIPLIRSA-N 0 1 487.647 5.444 50 0 JKAAMN COc1ccc(-c2nc3ccccc3c(NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000015781568 556000800 /nfs/dbraw/zinc/00/08/00/556000800.db2.gz GSZOOEVUKAPLCE-UHFFFAOYSA-N 0 1 471.580 5.069 50 0 JKAAMN Cc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000023114958 556011601 /nfs/dbraw/zinc/01/16/01/556011601.db2.gz XNEYUNSSLRWWFT-UHFFFAOYSA-N 0 1 451.496 5.046 50 0 JKAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(Br)o1 ZINC000012541013 556014952 /nfs/dbraw/zinc/01/49/52/556014952.db2.gz UORSBUKGTRCILG-KRWDZBQOSA-N 0 1 464.241 5.457 50 0 JKAAMN COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012541906 556016770 /nfs/dbraw/zinc/01/67/70/556016770.db2.gz GTBSFOYQXMDDCW-UHFFFAOYSA-N 0 1 464.465 5.076 50 0 JKAAMN Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012542217 556017370 /nfs/dbraw/zinc/01/73/70/556017370.db2.gz MENLINGRWYCLIC-UHFFFAOYSA-N 0 1 453.951 5.387 50 0 JKAAMN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4c5ccccc5oc4C(=O)c4ccc(Cl)cc4)no3)ccc2O1 ZINC000015833075 556018725 /nfs/dbraw/zinc/01/87/25/556018725.db2.gz MBFIFEPGKWWWRU-HNNXBMFYSA-N 0 1 498.922 6.548 50 0 JKAAMN Cc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000015839966 556023128 /nfs/dbraw/zinc/02/31/28/556023128.db2.gz IYQMZMLILTXXRW-UHFFFAOYSA-N 0 1 481.575 5.198 50 0 JKAAMN Cc1cccc(NC(=S)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1C ZINC000023182374 556028777 /nfs/dbraw/zinc/02/87/77/556028777.db2.gz XCYJSGVPIHWUHR-PXDATVDWSA-N 0 1 464.704 5.603 50 0 JKAAMN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000015859499 556030072 /nfs/dbraw/zinc/03/00/72/556030072.db2.gz UAVCASAPIVAOJW-SANMLTNESA-N 0 1 458.989 7.160 50 0 JKAAMN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000015859484 556030097 /nfs/dbraw/zinc/03/00/97/556030097.db2.gz WCNPRQUNIRLLEJ-AREMUKBSSA-N 0 1 458.989 7.160 50 0 JKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc2ncsc2c1 ZINC000012549882 556030228 /nfs/dbraw/zinc/03/02/28/556030228.db2.gz IHGFBLVEHVIYOG-UHFFFAOYSA-N 0 1 478.382 5.656 50 0 JKAAMN COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCC(C)CC2)c1 ZINC000015859559 556030479 /nfs/dbraw/zinc/03/04/79/556030479.db2.gz HVCWLFAWFJMFMD-MUUNZHRXSA-N 0 1 484.596 6.524 50 0 JKAAMN COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCCCC2)c1 ZINC000015859555 556030502 /nfs/dbraw/zinc/03/05/02/556030502.db2.gz RSUSGNKIPBYAPE-HHHXNRCGSA-N 0 1 470.569 6.278 50 0 JKAAMN COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccc(C)cc1)N1CCCCC1 ZINC000015859579 556030751 /nfs/dbraw/zinc/03/07/51/556030751.db2.gz PORSBNIMJDKXNY-HHHXNRCGSA-N 0 1 454.570 6.577 50 0 JKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccc(Cl)cc2)N2CCC(C)CC2)cc1 ZINC000015859588 556030770 /nfs/dbraw/zinc/03/07/70/556030770.db2.gz AKPCICSZXATVFL-HHHXNRCGSA-N 0 1 473.016 7.468 50 0 JKAAMN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccc(C)cc1)N1CCCCC1 ZINC000015859580 556030806 /nfs/dbraw/zinc/03/08/06/556030806.db2.gz PORSBNIMJDKXNY-MHZLTWQESA-N 0 1 454.570 6.577 50 0 JKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccc(F)c2)N2CCC(C)CC2)cc1 ZINC000015859596 556030818 /nfs/dbraw/zinc/03/08/18/556030818.db2.gz CADOFPISYVRGGT-HHHXNRCGSA-N 0 1 456.561 6.954 50 0 JKAAMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000023224671 556032475 /nfs/dbraw/zinc/03/24/75/556032475.db2.gz GCFKWHJPWCVLLE-KNSFSRGUSA-N 0 1 495.107 5.678 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4ccccc4F)cc3C)s2)cc1 ZINC000015862023 556034542 /nfs/dbraw/zinc/03/45/42/556034542.db2.gz POPHRJUAAJIRCU-UHFFFAOYSA-N 0 1 455.536 5.105 50 0 JKAAMN CCOc1ccc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862041 556034820 /nfs/dbraw/zinc/03/48/20/556034820.db2.gz ACXBTHBSFATMFR-UHFFFAOYSA-N 0 1 481.599 5.365 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4ccccc4Cl)cc3C)s2)cc1 ZINC000015862048 556034902 /nfs/dbraw/zinc/03/49/02/556034902.db2.gz RDMJJPLCQNRORY-UHFFFAOYSA-N 0 1 471.991 5.620 50 0 JKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(OC(C)C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864880 556040721 /nfs/dbraw/zinc/04/07/21/556040721.db2.gz WVPIZLWGHPQIJI-NDEPHWFRSA-N 0 1 486.681 7.517 50 0 JKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(OC)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864859 556040832 /nfs/dbraw/zinc/04/08/32/556040832.db2.gz SDPSDGFQEZEEIQ-AREMUKBSSA-N 0 1 458.627 6.739 50 0 JKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(C(C)C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864886 556040919 /nfs/dbraw/zinc/04/09/19/556040919.db2.gz ADVSERGAZHECHV-NDEPHWFRSA-N 0 1 470.682 7.853 50 0 JKAAMN COc1ccc(/N=c2\oc3cc(O)ccc3cc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000012556104 556041887 /nfs/dbraw/zinc/04/18/87/556041887.db2.gz SISSFNJKDKDNHU-PNHLSOANSA-N 0 1 460.942 6.823 50 0 JKAAMN COc1ccc(OC)c(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC000023359958 556048996 /nfs/dbraw/zinc/04/89/96/556048996.db2.gz IQGUKUAZEFZNIB-OAQYLSRUSA-N 0 1 455.436 5.118 50 0 JKAAMN COc1ccc(OC)c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC000023359954 556049018 /nfs/dbraw/zinc/04/90/18/556049018.db2.gz IQGUKUAZEFZNIB-NRFANRHFSA-N 0 1 455.436 5.118 50 0 JKAAMN CCN1CCN([P@@](=Nc2ccc(F)cc2)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559143 556049667 /nfs/dbraw/zinc/04/96/67/556049667.db2.gz XEIGHXUMSINSAT-UMSFTDKQSA-N 0 1 481.600 6.137 50 0 JKAAMN CCn1c(CCc2cccc(NS(=O)(=O)c3cc(Cl)ccc3OC)c2)nc2ccccc21 ZINC000015870479 556050079 /nfs/dbraw/zinc/05/00/79/556050079.db2.gz RSVYREYXLLDXBG-UHFFFAOYSA-N 0 1 469.994 5.304 50 0 JKAAMN CCCn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000015870772 556050960 /nfs/dbraw/zinc/05/09/60/556050960.db2.gz KESZLJBHEYKLDI-UHFFFAOYSA-N 0 1 453.995 5.686 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000012563623 556058644 /nfs/dbraw/zinc/05/86/44/556058644.db2.gz UYSKETRJZLDDKE-UHFFFAOYSA-N 0 1 486.593 5.657 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1C ZINC000012564755 556061191 /nfs/dbraw/zinc/06/11/91/556061191.db2.gz AJLYBAHZOPRXMG-UHFFFAOYSA-N 0 1 488.565 5.429 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000012565530 556062741 /nfs/dbraw/zinc/06/27/41/556062741.db2.gz SHIQURSXTHQGKB-UHFFFAOYSA-N 0 1 488.993 5.256 50 0 JKAAMN O=C(NCCOc1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023450310 556065010 /nfs/dbraw/zinc/06/50/10/556065010.db2.gz JZMMDWIVMYKIKM-UHFFFAOYSA-N 0 1 451.448 5.571 50 0 JKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3)[nH]n2)c1 ZINC000023450640 556065381 /nfs/dbraw/zinc/06/53/81/556065381.db2.gz FSDCGHNXFGOOKE-UHFFFAOYSA-N 0 1 451.570 5.847 50 0 JKAAMN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023451660 556066269 /nfs/dbraw/zinc/06/62/69/556066269.db2.gz YFGUSJUHWYYYNC-UHFFFAOYSA-N 0 1 454.332 6.162 50 0 JKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1)c1ccccc1 ZINC000023453551 556066839 /nfs/dbraw/zinc/06/68/39/556066839.db2.gz PIYBAMJEEVJCEO-OAQYLSRUSA-N 0 1 450.586 6.225 50 0 JKAAMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023453071 556066874 /nfs/dbraw/zinc/06/68/74/556066874.db2.gz PTIVFPJXJMOSSK-KRWDZBQOSA-N 0 1 464.396 6.802 50 0 JKAAMN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)c1 ZINC000023455375 556068347 /nfs/dbraw/zinc/06/83/47/556068347.db2.gz XOFWGYVYNLROMP-UHFFFAOYSA-N 0 1 466.368 6.032 50 0 JKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H](C)c4ccc(Br)cc4)cc3)[nH]n2)c1 ZINC000023455776 556068686 /nfs/dbraw/zinc/06/86/86/556068686.db2.gz YQQLQAAWLCEHEI-INIZCTEOSA-N 0 1 476.374 6.006 50 0 JKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)[nH]n2)c1 ZINC000023455780 556068718 /nfs/dbraw/zinc/06/87/18/556068718.db2.gz YQQLQAAWLCEHEI-MRXNPFEDSA-N 0 1 476.374 6.006 50 0 JKAAMN O=C(NCc1cccc(F)c1F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023458472 556070230 /nfs/dbraw/zinc/07/02/30/556070230.db2.gz QGRXLKLUTKKSHB-UHFFFAOYSA-N 0 1 457.402 5.971 50 0 JKAAMN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023462020 556072809 /nfs/dbraw/zinc/07/28/09/556072809.db2.gz PVGLZMWPPMGOJR-HSZRJFAPSA-N 0 1 461.487 6.570 50 0 JKAAMN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023462023 556072912 /nfs/dbraw/zinc/07/29/12/556072912.db2.gz PVGLZMWPPMGOJR-QHCPKHFHSA-N 0 1 461.487 6.570 50 0 JKAAMN O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000023461819 556072934 /nfs/dbraw/zinc/07/29/34/556072934.db2.gz MGVBMUDWZKMIMP-UHFFFAOYSA-N 0 1 490.434 7.145 50 0 JKAAMN COc1ccc(CCNC(=O)c2ccc(-c3n[nH]c4c3CCCc3ccccc3-4)cc2)cc1OC ZINC000023462533 556073217 /nfs/dbraw/zinc/07/32/17/556073217.db2.gz WQSADVATFXNRPN-UHFFFAOYSA-N 0 1 467.569 5.222 50 0 biogenic JKAAMN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473247 556074339 /nfs/dbraw/zinc/07/43/39/556074339.db2.gz HQMHJHGQTPJNLZ-SSEXGKCCSA-N 0 1 478.636 5.501 50 0 JKAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)ccc2Cl)cc1 ZINC000023505616 556076111 /nfs/dbraw/zinc/07/61/11/556076111.db2.gz SGJFBVJTAIKXFI-AWEZNQCLSA-N 0 1 494.947 5.261 50 0 JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015946377 556082943 /nfs/dbraw/zinc/08/29/43/556082943.db2.gz JFGVMHBIIWVOLQ-FQEVSTJZSA-N 0 1 462.402 6.510 50 0 JKAAMN Cc1cccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946744 556083536 /nfs/dbraw/zinc/08/35/36/556083536.db2.gz PTLGLQOMWUHUOW-NRFANRHFSA-N 0 1 489.685 6.188 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000015947150 556084686 /nfs/dbraw/zinc/08/46/86/556084686.db2.gz NYJZQKYGHPEYFE-RUZDIDTESA-N 0 1 483.593 5.927 50 0 JKAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947089 556084713 /nfs/dbraw/zinc/08/47/13/556084713.db2.gz HFLPWWSNCFGEIT-XMMPIXPASA-N 0 1 491.613 5.480 50 0 JKAAMN COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)cc2)cc1 ZINC000015947093 556084724 /nfs/dbraw/zinc/08/47/24/556084724.db2.gz NVBIFOGZBGHMNA-HSZRJFAPSA-N 0 1 477.586 5.171 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000015947259 556084740 /nfs/dbraw/zinc/08/47/40/556084740.db2.gz STTCEFVROHXJET-OAQYLSRUSA-N 0 1 467.978 5.428 50 0 JKAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947087 556084756 /nfs/dbraw/zinc/08/47/56/556084756.db2.gz HFLPWWSNCFGEIT-DEOSSOPVSA-N 0 1 491.613 5.480 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000015947257 556084773 /nfs/dbraw/zinc/08/47/73/556084773.db2.gz STTCEFVROHXJET-NRFANRHFSA-N 0 1 467.978 5.428 50 0 JKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947267 556085109 /nfs/dbraw/zinc/08/51/09/556085109.db2.gz SGYVOQDRWXHVFQ-XMMPIXPASA-N 0 1 491.613 5.481 50 0 JKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CCCCC1 ZINC000012600201 556090117 /nfs/dbraw/zinc/09/01/17/556090117.db2.gz DVVLAFLLCXRMDO-UHFFFAOYSA-N 0 1 471.804 5.422 50 0 JKAAMN COc1c2c(cc3c1[C@@H](C[C@@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)N(C)CC3)OCO2 ZINC000012660127 556100760 /nfs/dbraw/zinc/10/07/60/556100760.db2.gz XVPULKCGCVRRPV-DHIUTWEWSA-N 0 1 465.634 5.598 50 0 biogenic JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000015999085 556104183 /nfs/dbraw/zinc/10/41/83/556104183.db2.gz GPTGDOKEXAVNIW-LSMVNSQTSA-N 0 1 480.539 5.086 50 0 JKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016007142 556107614 /nfs/dbraw/zinc/10/76/14/556107614.db2.gz VZKAIMHIEHYSMG-WKUVLXMOSA-N 0 1 494.566 5.340 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016007186 556107893 /nfs/dbraw/zinc/10/78/93/556107893.db2.gz JGBAEQZSGKAWOY-XVOBZGQLSA-N 0 1 486.930 5.041 50 0 JKAAMN C[N@H+](Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1)Cc1ccccc1N1CCOCC1 ZINC000023967945 556107919 /nfs/dbraw/zinc/10/79/19/556107919.db2.gz FKWLWFQLIATUJS-UHFFFAOYSA-N 0 1 481.021 5.186 50 0 JKAAMN C[N@@H+](Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1)Cc1ccccc1N1CCOCC1 ZINC000023967945 556107924 /nfs/dbraw/zinc/10/79/24/556107924.db2.gz FKWLWFQLIATUJS-UHFFFAOYSA-N 0 1 481.021 5.186 50 0 JKAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012759067 556108941 /nfs/dbraw/zinc/10/89/41/556108941.db2.gz BJPSWVDDULSZMD-LJQANCHMSA-N 0 1 485.432 5.294 50 0 JKAAMN CC[C@@H](NCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000012796566 556113604 /nfs/dbraw/zinc/11/36/04/556113604.db2.gz GWHHJTAIJCDNHE-LJQANCHMSA-N 0 1 482.447 6.272 50 0 JKAAMN CCCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)c1 ZINC000024193209 556126645 /nfs/dbraw/zinc/12/66/45/556126645.db2.gz VFIQCXFFHYRBCC-XMMPIXPASA-N 0 1 477.582 5.505 50 0 JKAAMN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012908969 556128040 /nfs/dbraw/zinc/12/80/40/556128040.db2.gz HUBYSJSUNXCRRI-HXUWFJFHSA-N 0 1 496.080 5.196 50 0 JKAAMN COc1ccc(-c2nc(CN[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cs2)cc1OC ZINC000012913489 556132642 /nfs/dbraw/zinc/13/26/42/556132642.db2.gz YAPDYRONGWLWGB-DEOSSOPVSA-N 0 1 454.592 5.476 50 0 JKAAMN COc1ccc(CN(CC(=O)Nc2cc3c(cc2Cl)OCO3)[C@H](C)Cc2cccs2)cc1 ZINC000012921446 556140294 /nfs/dbraw/zinc/14/02/94/556140294.db2.gz KFSHSPYEWBVSES-MRXNPFEDSA-N 0 1 472.994 5.211 50 0 JKAAMN C[C@H](Cc1cccs1)N(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000012950937 556160191 /nfs/dbraw/zinc/16/01/91/556160191.db2.gz DWRXHSGGVPESMY-GOSISDBHSA-N 0 1 470.038 5.175 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCc1cccc(Cl)c1)=N2 ZINC000012951574 556160443 /nfs/dbraw/zinc/16/04/43/556160443.db2.gz RFFJLQMETKYQEK-NRFANRHFSA-N 0 1 492.000 5.492 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SC/C=C/c1ccccc1)=N2 ZINC000012951536 556160494 /nfs/dbraw/zinc/16/04/94/556160494.db2.gz WKTVQIFRBPRZJB-VTJDKEBTSA-N 0 1 483.593 5.352 50 0 JKAAMN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000025141873 556180684 /nfs/dbraw/zinc/18/06/84/556180684.db2.gz ANBLRXFOAZEGTL-UHFFFAOYSA-N 0 1 461.487 6.181 50 0 JKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)n[nH]c1-2 ZINC000025142073 556180987 /nfs/dbraw/zinc/18/09/87/556180987.db2.gz DEOFZZNSAXDOGJ-UHFFFAOYSA-N 0 1 461.924 5.573 50 0 JKAAMN O=C(c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000025141982 556181021 /nfs/dbraw/zinc/18/10/21/556181021.db2.gz MRJPOFHLNSAPSS-UHFFFAOYSA-N 0 1 489.541 6.857 50 0 JKAAMN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)cc1OC ZINC000025142739 556181894 /nfs/dbraw/zinc/18/18/94/556181894.db2.gz DAZKQKMJQLGJAU-UHFFFAOYSA-N 0 1 496.394 6.040 50 0 biogenic JKAAMN [O-][C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957671 556188936 /nfs/dbraw/zinc/18/89/36/556188936.db2.gz JUNXAMYJJQYKDH-SUMWQHHRSA-N 0 1 460.319 5.580 50 0 JKAAMN COc1cc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)cc(OC)c1 ZINC000025155401 556196444 /nfs/dbraw/zinc/19/64/44/556196444.db2.gz ICMRSVMVLVEXOJ-UHFFFAOYSA-N 0 1 463.537 5.844 50 0 JKAAMN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025164725 556201655 /nfs/dbraw/zinc/20/16/55/556201655.db2.gz JKBHFQHGTWAEJR-HKBQPEDESA-N 0 1 493.610 7.611 50 0 JKAAMN O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000025173422 556202264 /nfs/dbraw/zinc/20/22/64/556202264.db2.gz SZPVYFHTFGYMLF-XMMPIXPASA-N 0 1 492.804 5.537 50 0 JKAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000017013640 556203481 /nfs/dbraw/zinc/20/34/81/556203481.db2.gz QHTQOSCVSNDZER-UHFFFAOYSA-N 0 1 495.649 5.236 50 0 JKAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000013015404 556206834 /nfs/dbraw/zinc/20/68/34/556206834.db2.gz WYUAWNMXJHNAJV-XBXARRHUSA-N 0 1 490.610 5.143 50 0 JKAAMN O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000025329373 556209150 /nfs/dbraw/zinc/20/91/50/556209150.db2.gz XUCRALLSADLLLJ-VWLOTQADSA-N 0 1 489.418 5.422 50 0 JKAAMN Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 ZINC000025336230 556209412 /nfs/dbraw/zinc/20/94/12/556209412.db2.gz VKFPZHOPUOZEDK-SANMLTNESA-N 0 1 484.562 5.551 50 0 JKAAMN CC(C)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113386 556218350 /nfs/dbraw/zinc/21/83/50/556218350.db2.gz RPQCIFKCWUNKEF-UHFFFAOYSA-N 0 1 461.656 6.363 50 0 JKAAMN Cc1cc(C)c(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c(C)c1 ZINC000017143747 556225415 /nfs/dbraw/zinc/22/54/15/556225415.db2.gz GWKYYTRXFZBHIF-UHFFFAOYSA-N 0 1 482.656 5.469 50 0 JKAAMN c1csc(-c2n[nH]c(Sc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)n2)c1 ZINC000025747591 556231892 /nfs/dbraw/zinc/23/18/92/556231892.db2.gz KNGVZDCIWLGDTM-UHFFFAOYSA-N 0 1 492.655 5.188 50 0 JKAAMN COc1cccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)N2CCCC2)c1 ZINC000013039438 556240436 /nfs/dbraw/zinc/24/04/36/556240436.db2.gz ACBVPFINIQLWDT-MUUNZHRXSA-N 0 1 466.585 5.115 50 0 JKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000026121590 556249510 /nfs/dbraw/zinc/24/95/10/556249510.db2.gz KIGXZABDFXAFLR-UHFFFAOYSA-N 0 1 455.002 5.349 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000017748106 556265756 /nfs/dbraw/zinc/26/57/56/556265756.db2.gz LKKNGOPEDJTLJJ-DSNGMDLFSA-N 0 1 499.364 5.653 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000017992839 556274779 /nfs/dbraw/zinc/27/47/79/556274779.db2.gz WYSNQLAPGDPWBR-VJGNERBWSA-N 0 1 486.568 5.234 50 0 JKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000018008177 556275732 /nfs/dbraw/zinc/27/57/32/556275732.db2.gz DLBXHQFTSJAHEN-KBNZVFGVSA-N 0 1 496.346 9.166 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018024369 556277555 /nfs/dbraw/zinc/27/75/55/556277555.db2.gz MMWXNOTWBPHFDY-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018069119 556283611 /nfs/dbraw/zinc/28/36/11/556283611.db2.gz KSVSTAIYMSQLPT-SMIHKQSGSA-N 0 1 495.406 6.342 50 0 JKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000018089217 556286300 /nfs/dbraw/zinc/28/63/00/556286300.db2.gz OTRMFXSWOBENJI-VSKRKVRLSA-N 0 1 486.877 5.718 50 0 JKAAMN COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCCC1 ZINC000013097630 556294507 /nfs/dbraw/zinc/29/45/07/556294507.db2.gz KPWBLDHDXHEACS-MHZLTWQESA-N 0 1 466.585 5.115 50 0 JKAAMN Cc1ccccc1N1CCN(Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)CC1 ZINC000013097769 556295238 /nfs/dbraw/zinc/29/52/38/556295238.db2.gz MNTPLLYYCMTDPZ-UHFFFAOYSA-N 0 1 481.427 6.010 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccc(OC)cc3)no2)cc1 ZINC000027579955 556299922 /nfs/dbraw/zinc/29/99/22/556299922.db2.gz DPZNPFSRIIATLB-UHFFFAOYSA-N 0 1 497.507 6.000 50 0 JKAAMN Cc1cc(Cl)ccc1N[P@@](=O)(/C=C(/Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000018182329 556300052 /nfs/dbraw/zinc/30/00/52/556300052.db2.gz WJHXPSARHRDQCQ-KBNZVFGVSA-N 0 1 462.744 8.813 50 0 JKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027580765 556300219 /nfs/dbraw/zinc/30/02/19/556300219.db2.gz MLKSGYWIGRXSKG-UHFFFAOYSA-N 0 1 450.494 6.496 50 0 JKAAMN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027582560 556300224 /nfs/dbraw/zinc/30/02/24/556300224.db2.gz JQEZIMAWHAOMHT-UHFFFAOYSA-N 0 1 481.508 6.218 50 0 JKAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000018193696 556301622 /nfs/dbraw/zinc/30/16/22/556301622.db2.gz XIHVMRAZUQUDDW-GVAUOCQISA-N 0 1 471.944 5.489 50 0 JKAAMN CCc1cccc(Cc2cc(C)cc(C)c2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000018194783 556301876 /nfs/dbraw/zinc/30/18/76/556301876.db2.gz HEFFFSNIIKBZTQ-UHFFFAOYSA-N 0 1 463.426 6.443 50 0 JKAAMN Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c(Cc2ccc3ccccc3c2)c1 ZINC000018194791 556302002 /nfs/dbraw/zinc/30/20/02/556302002.db2.gz KFOIBKWQPGPXPP-UHFFFAOYSA-N 0 1 485.432 7.034 50 0 JKAAMN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000013108305 556305489 /nfs/dbraw/zinc/30/54/89/556305489.db2.gz NQUNCNGDKMNMIC-GOSISDBHSA-N 0 1 497.879 5.828 50 0 JKAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000013112755 556315040 /nfs/dbraw/zinc/31/50/40/556315040.db2.gz NRSWWNRZDKYKIE-SNVBAGLBSA-N 0 1 467.776 5.016 50 0 JKAAMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000013114633 556320167 /nfs/dbraw/zinc/32/01/67/556320167.db2.gz AYLGCFPYEAYHLP-OAHLLOKOSA-N 0 1 479.403 6.021 50 0 JKAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N2CCCC2)cc1 ZINC000028289931 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COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3cc(C(C)C)ccc3n2)c1 ZINC000033020670 569618833 /nfs/dbraw/zinc/61/88/33/569618833.db2.gz XWHNNWHAKQWNMM-UHFFFAOYSA-N 0 1 466.990 6.488 50 0 JKAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2=O)cc1 ZINC000064591985 569622077 /nfs/dbraw/zinc/62/20/77/569622077.db2.gz MGIAODVSRXZSDG-UHFFFAOYSA-N 0 1 499.658 5.014 50 0 JKAAMN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326891 569624047 /nfs/dbraw/zinc/62/40/47/569624047.db2.gz APMSNDRYEUSKJX-UHFFFAOYSA-N 0 1 467.595 5.083 50 0 JKAAMN Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1 ZINC000033326886 569624083 /nfs/dbraw/zinc/62/40/83/569624083.db2.gz VRLROUQGGWJWPZ-UHFFFAOYSA-N 0 1 451.596 5.382 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1C ZINC000033326889 569624130 /nfs/dbraw/zinc/62/41/30/569624130.db2.gz XWLQNHAPGQLIBO-UHFFFAOYSA-N 0 1 465.623 5.691 50 0 JKAAMN Cc1ccc(C)c(CN2CCN(c3nn4c(nc(-c5ccccc5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746791 569625857 /nfs/dbraw/zinc/62/58/57/569625857.db2.gz PGCFZDSTUQYKNA-UHFFFAOYSA-N 0 1 474.678 5.607 50 0 JKAAMN Cc1cccc(-c2nc3sc(N4CCN(Cc5ccccc5C)CC4)nn3c2NC(C)(C)C)c1 ZINC000064746803 569625865 /nfs/dbraw/zinc/62/58/65/569625865.db2.gz UBZRIKBRMVUKOF-UHFFFAOYSA-N 0 1 474.678 5.607 50 0 JKAAMN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)n2)cc1 ZINC000064801998 569631509 /nfs/dbraw/zinc/63/15/09/569631509.db2.gz RGYLVQUOLZWWJG-UHFFFAOYSA-N 0 1 463.538 5.521 50 0 JKAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000064802112 569631949 /nfs/dbraw/zinc/63/19/49/569631949.db2.gz KDADBLUYERZEJO-UHFFFAOYSA-N 0 1 495.649 5.236 50 0 JKAAMN Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064814524 569632226 /nfs/dbraw/zinc/63/22/26/569632226.db2.gz YCIOIUNKXRVCGJ-UHFFFAOYSA-N 0 1 473.549 5.352 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(Cc4ccncc4)cc3)nc2c1 ZINC000033880330 569636890 /nfs/dbraw/zinc/63/68/90/569636890.db2.gz OASSLCQJEUBZMO-UHFFFAOYSA-N 0 1 486.553 5.367 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)N(C)CC3)OCO2 ZINC000033891531 569637060 /nfs/dbraw/zinc/63/70/60/569637060.db2.gz XVPULKCGCVRRPV-GOTSBHOMSA-N 0 1 465.634 5.598 50 0 biogenic JKAAMN Cc1ccc2c(c1)[C@H](N1CCN(CCCn3c4ccccc4[nH]c3=O)CC1)c1ccccc1CS2 ZINC000033901129 569637237 /nfs/dbraw/zinc/63/72/37/569637237.db2.gz SBMXQZNPYGSVFF-MUUNZHRXSA-N 0 1 484.669 5.041 50 0 JKAAMN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681947 569643811 /nfs/dbraw/zinc/64/38/11/569643811.db2.gz ZLSLMSVDGSVSSQ-UHFFFAOYSA-N 0 1 472.486 5.204 50 0 JKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccc(OC)cc3OC)CC2)c1 ZINC000034682706 569644074 /nfs/dbraw/zinc/64/40/74/569644074.db2.gz ZPZJCTCVEHOVNB-UHFFFAOYSA-N 0 1 495.019 5.677 50 0 JKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682867 569644120 /nfs/dbraw/zinc/64/41/20/569644120.db2.gz RUFAHRNQTNEOJX-UHFFFAOYSA-N 0 1 490.600 5.032 50 0 JKAAMN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034682813 569644124 /nfs/dbraw/zinc/64/41/24/569644124.db2.gz VULURSZMYYWRSU-UHFFFAOYSA-N 0 1 460.574 5.024 50 0 JKAAMN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034683059 569644127 /nfs/dbraw/zinc/64/41/27/569644127.db2.gz RYERLALYMYKDQB-UHFFFAOYSA-N 0 1 476.592 5.717 50 0 JKAAMN COc1ccc(OC)c(CN2CCC(N(C(=O)c3ccccc3OC)c3cccc(C)c3)CC2)c1 ZINC000034683051 569644143 /nfs/dbraw/zinc/64/41/43/569644143.db2.gz FIXGBRKCZSEHAV-UHFFFAOYSA-N 0 1 474.601 5.332 50 0 JKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(OC)c3OC)CC2)c1 ZINC000034683159 569644249 /nfs/dbraw/zinc/64/42/49/569644249.db2.gz ZMTGFRIHKRTVME-UHFFFAOYSA-N 0 1 466.603 5.085 50 0 JKAAMN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000034683174 569644305 /nfs/dbraw/zinc/64/43/05/569644305.db2.gz DTKUKAOMMVATDK-UHFFFAOYSA-N 0 1 490.600 5.032 50 0 JKAAMN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683557 569644435 /nfs/dbraw/zinc/64/44/35/569644435.db2.gz BMPFEVYYJULUFG-UHFFFAOYSA-N 0 1 456.483 6.156 50 0 JKAAMN COc1cc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683593 569644470 /nfs/dbraw/zinc/64/44/70/569644470.db2.gz MMWYZXIPXRXTMA-UHFFFAOYSA-N 0 1 468.956 5.505 50 0 JKAAMN CC(C)c1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000034683710 569644501 /nfs/dbraw/zinc/64/45/01/569644501.db2.gz OHWNZAQRRKKIKV-UHFFFAOYSA-N 0 1 484.612 5.948 50 0 JKAAMN COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000034683535 569644546 /nfs/dbraw/zinc/64/45/46/569644546.db2.gz XXINMSJJJDZDGT-UHFFFAOYSA-N 0 1 486.509 6.165 50 0 JKAAMN Cc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1C ZINC000034683923 569644835 /nfs/dbraw/zinc/64/48/35/569644835.db2.gz WSUCMRARTRMLBB-UHFFFAOYSA-N 0 1 470.585 5.442 50 0 JKAAMN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683916 569644841 /nfs/dbraw/zinc/64/48/41/569644841.db2.gz KNPZTEACWPCXNG-UHFFFAOYSA-N 0 1 466.622 5.611 50 0 JKAAMN COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034726024 569652843 /nfs/dbraw/zinc/65/28/43/569652843.db2.gz ZFYSPOLOTUYWCA-UHFFFAOYSA-N 0 1 497.561 5.727 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000034727079 569652925 /nfs/dbraw/zinc/65/29/25/569652925.db2.gz PGFVVAIJVUZQGY-VWLOTQADSA-N 0 1 454.973 5.820 50 0 JKAAMN Fc1ccc(N2CCN(CC[C@H](Oc3ccc(F)cc3Cl)c3ccccc3F)CC2)cc1 ZINC000034727345 569652946 /nfs/dbraw/zinc/65/29/46/569652946.db2.gz VLRUHGMNJOCVAK-DEOSSOPVSA-N 0 1 460.927 6.090 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2ccc(Cl)c(C)c2)c2cccs2)CC1 ZINC000034726852 569653028 /nfs/dbraw/zinc/65/30/28/569653028.db2.gz HDWOUWLOCGVCPE-XMMPIXPASA-N 0 1 457.039 6.051 50 0 JKAAMN Cc1cc(O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)c2cccs2)cc(C(C)C)c1 ZINC000034726911 569653052 /nfs/dbraw/zinc/65/30/52/569653052.db2.gz JNGSMIORYYNSDP-AREMUKBSSA-N 0 1 452.639 6.651 50 0 JKAAMN Cc1ccccc1N1CCN(CC[C@@H](Oc2ccc(F)cc2Cl)c2ccc(F)cc2)CC1 ZINC000034726660 569653060 /nfs/dbraw/zinc/65/30/60/569653060.db2.gz FWLZRIMDKFWODL-RUZDIDTESA-N 0 1 456.964 6.259 50 0 JKAAMN COc1ccc(OC)c([C@@H](CCN2CCN(Cc3ccccc3)CC2)Oc2cccc(C(C)C)c2)c1 ZINC000034728319 569653133 /nfs/dbraw/zinc/65/31/33/569653133.db2.gz IVPARPLKJMQOMV-WJOKGBTCSA-N 0 1 488.672 6.155 50 0 JKAAMN COc1ccc(OC)c([C@H](CCN2CCN(Cc3ccccc3)CC2)Oc2cccc(C(C)C)c2)c1 ZINC000034728315 569653201 /nfs/dbraw/zinc/65/32/01/569653201.db2.gz IVPARPLKJMQOMV-HKBQPEDESA-N 0 1 488.672 6.155 50 0 JKAAMN Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3NS(=O)(=O)c3ccc(C)c(F)c3)C2=O)c1 ZINC000034737839 569654659 /nfs/dbraw/zinc/65/46/59/569654659.db2.gz PODORXDOWNSVKS-UHFFFAOYSA-N 0 1 495.620 5.692 50 0 JKAAMN Cc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000034737791 569654691 /nfs/dbraw/zinc/65/46/91/569654691.db2.gz ZWLBNBLHOLHIJS-UHFFFAOYSA-N 0 1 495.620 5.891 50 0 JKAAMN Cc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737789 569654694 /nfs/dbraw/zinc/65/46/94/569654694.db2.gz XAONVKAZSLXAKA-UHFFFAOYSA-N 0 1 477.630 5.752 50 0 JKAAMN Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3NS(=O)(=O)c3ccccc3)C2=O)c1 ZINC000034737831 569654706 /nfs/dbraw/zinc/65/47/06/569654706.db2.gz ZYIICSOCALOMTO-UHFFFAOYSA-N 0 1 463.603 5.245 50 0 JKAAMN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737843 569654720 /nfs/dbraw/zinc/65/47/20/569654720.db2.gz HBSSTJJBRIEAIZ-UHFFFAOYSA-N 0 1 463.603 5.245 50 0 JKAAMN Cc1ccc(N2CCCN([C@H](C)c3ccccc3)C2=O)c(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000034737774 569654740 /nfs/dbraw/zinc/65/47/40/569654740.db2.gz GNQSWUUMVKRQTH-HXUWFJFHSA-N 0 1 481.593 5.637 50 0 JKAAMN CC(C)N1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)OCc4ccccc4)cc32)CC1 ZINC000034790597 569660234 /nfs/dbraw/zinc/66/02/34/569660234.db2.gz PXNDEFOZYZDCCQ-UHFFFAOYSA-N 0 1 470.573 5.645 50 0 JKAAMN CC(C)N1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)Cc4ccccc4)cc32)CC1 ZINC000034790555 569660258 /nfs/dbraw/zinc/66/02/58/569660258.db2.gz IUEHVCRTCBJBJI-UHFFFAOYSA-N 0 1 454.574 5.078 50 0 JKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000034796664 569660925 /nfs/dbraw/zinc/66/09/25/569660925.db2.gz KTLKIUFNDNJZBG-UHFFFAOYSA-N 0 1 454.374 6.636 50 0 JKAAMN CCOC(=O)c1c(NC(=O)[C@@H](NCCc2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000034800871 569661153 /nfs/dbraw/zinc/66/11/53/569661153.db2.gz FHJCBZLGQCRZQP-DFBJGRDBSA-N 0 1 476.642 5.562 50 0 JKAAMN O=S(=O)(Nc1ccc(F)cc1F)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097964 569661694 /nfs/dbraw/zinc/66/16/94/569661694.db2.gz XRCKRNRUCZSYRZ-UHFFFAOYSA-N 0 1 453.879 5.198 50 0 JKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)CCC3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034814892 569662851 /nfs/dbraw/zinc/66/28/51/569662851.db2.gz FOMGKPRCMPVYNP-UHFFFAOYSA-N 0 1 479.713 5.278 50 0 JKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829545 569662987 /nfs/dbraw/zinc/66/29/87/569662987.db2.gz OASQBGSUJISFRX-WUFINQPMSA-N 0 1 499.703 5.111 50 0 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CCN1CCN(c2c(CN(CC(C)C)C(=O)C3CCCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831327 569664208 /nfs/dbraw/zinc/66/42/08/569664208.db2.gz YLXINJOUHVPWNQ-UHFFFAOYSA-N 0 1 483.676 5.027 50 0 JKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)c3ccccc3C)c(C)nn2-c2ccccc2)CC1 ZINC000034832123 569664430 /nfs/dbraw/zinc/66/44/30/569664430.db2.gz JISWYKODWIGKOS-UHFFFAOYSA-N 0 1 487.692 5.320 50 0 JKAAMN CCCC[C@@H](CC)C(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1 ZINC000034834641 569664799 /nfs/dbraw/zinc/66/47/99/569664799.db2.gz BWHHBXGBSZQDBV-RUZDIDTESA-N 0 1 481.729 5.524 50 0 JKAAMN CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)CC(C)C ZINC000034834374 569664802 /nfs/dbraw/zinc/66/48/02/569664802.db2.gz UHLKXNNAZKHTNA-DEOSSOPVSA-N 0 1 467.702 5.134 50 0 JKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000034834936 569664885 /nfs/dbraw/zinc/66/48/85/569664885.db2.gz AXLIHALDQFNSCJ-OAQYLSRUSA-N 0 1 494.083 5.417 50 0 JKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000034834938 569664923 /nfs/dbraw/zinc/66/49/23/569664923.db2.gz AXLIHALDQFNSCJ-NRFANRHFSA-N 0 1 494.083 5.417 50 0 JKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cccc(Cl)c1 ZINC000034835099 569664949 /nfs/dbraw/zinc/66/49/49/569664949.db2.gz LTVSSFMRSMEUSH-OAQYLSRUSA-N 0 1 494.083 5.417 50 0 JKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)NC1CCCCC1)C(C)C ZINC000034835877 569665044 /nfs/dbraw/zinc/66/50/44/569665044.db2.gz BFGYZCLFZSPFDS-UHFFFAOYSA-N 0 1 498.691 5.103 50 0 JKAAMN CCCCCCC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1 ZINC000034835458 569665086 /nfs/dbraw/zinc/66/50/86/569665086.db2.gz OGGUUOUYBJMANN-UHFFFAOYSA-N 0 1 499.719 5.813 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)C1CCCC1 ZINC000034835435 569665135 /nfs/dbraw/zinc/66/51/35/569665135.db2.gz GTGGWQXBWAHJIU-UHFFFAOYSA-N 0 1 483.676 5.033 50 0 JKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccccc1Cl ZINC000034836397 569665518 /nfs/dbraw/zinc/66/55/18/569665518.db2.gz MMSSSWMZNKDCEZ-NRFANRHFSA-N 0 1 498.090 5.916 50 0 JKAAMN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CCC)Cc1ccoc1 ZINC000034836590 569665616 /nfs/dbraw/zinc/66/56/16/569665616.db2.gz DEXKQHULAVNDOL-UHFFFAOYSA-N 0 1 467.633 5.111 50 0 JKAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1ccccc1Cl)C1CC1 ZINC000034836670 569666040 /nfs/dbraw/zinc/66/60/40/569666040.db2.gz QDKPGPUFTQIHNO-UHFFFAOYSA-N 0 1 478.084 5.313 50 0 JKAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000034836939 569666348 /nfs/dbraw/zinc/66/63/48/569666348.db2.gz SCORFCBCDPLABD-UHFFFAOYSA-N 0 1 478.084 5.395 50 0 JKAAMN CCOc1cccc(CN(Cc2c(CC)nn(-c3ccccc3)c2N2CCN(CC)CC2)C2CC2)c1 ZINC000034836979 569666362 /nfs/dbraw/zinc/66/63/62/569666362.db2.gz PUPSDCKQBHDNGR-UHFFFAOYSA-N 0 1 487.692 5.140 50 0 JKAAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000034850655 569667231 /nfs/dbraw/zinc/66/72/31/569667231.db2.gz IHIZPTOMMUMKHH-VWYPKUQYSA-N 0 1 460.533 5.368 50 0 JKAAMN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000034850655 569667232 /nfs/dbraw/zinc/66/72/32/569667232.db2.gz IHIZPTOMMUMKHH-VWYPKUQYSA-N 0 1 460.533 5.368 50 0 JKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@@H](C)c4cccc5ccccc54)cc3)n[nH]c1-2 ZINC000034915645 569671856 /nfs/dbraw/zinc/67/18/56/569671856.db2.gz RQAJHLQOEKGVOS-IBGZPJMESA-N 0 1 473.576 6.495 50 0 JKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000035174716 569677387 /nfs/dbraw/zinc/67/73/87/569677387.db2.gz COTZMDSNSBKJSY-UBFVSLLYSA-N 0 1 489.358 6.198 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1C)C(c1ccc(Cl)cc1)=N2 ZINC000035372504 569683149 /nfs/dbraw/zinc/68/31/49/569683149.db2.gz CZQMOWFYQSFRTA-UHFFFAOYSA-N 0 1 455.027 5.034 50 0 JKAAMN COc1cccc(-c2cc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nccn3n2)c1 ZINC000067284856 569683267 /nfs/dbraw/zinc/68/32/67/569683267.db2.gz GCLGWESOGUYNDG-UHFFFAOYSA-N 0 1 475.596 5.317 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(C)cc1)=N2 ZINC000035372935 569683408 /nfs/dbraw/zinc/68/34/08/569683408.db2.gz LIVWLWYGSPHSSI-UHFFFAOYSA-N 0 1 485.053 5.042 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397161 569687679 /nfs/dbraw/zinc/68/76/79/569687679.db2.gz RHZSJBQTJNANQR-UHFFFAOYSA-N 0 1 462.663 5.369 50 0 JKAAMN Cc1ccccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397143 569687712 /nfs/dbraw/zinc/68/77/12/569687712.db2.gz SAXMZEARGGULPI-UHFFFAOYSA-N 0 1 462.663 5.288 50 0 JKAAMN Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397155 569687758 /nfs/dbraw/zinc/68/77/58/569687758.db2.gz PCWRHPOXKWQUSK-UHFFFAOYSA-N 0 1 497.108 5.941 50 0 JKAAMN Cc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)c1C ZINC000035397184 569687816 /nfs/dbraw/zinc/68/78/16/569687816.db2.gz IZFPEFCZVTYKFR-UHFFFAOYSA-N 0 1 499.478 5.061 50 0 JKAAMN Cc1ccsc1CN1CCN(c2cccc3c2C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1 ZINC000067675777 569689249 /nfs/dbraw/zinc/68/92/49/569689249.db2.gz NXDUZECNZJQREE-UHFFFAOYSA-N 0 1 499.558 5.194 50 0 JKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2S[C@H](c2ccc(N(C)C)cc2)C1 ZINC000068734564 569691957 /nfs/dbraw/zinc/69/19/57/569691957.db2.gz MEZOLHZZANVSEH-DEOSSOPVSA-N 0 1 456.567 6.231 50 0 JKAAMN CC(C)C(=O)Nc1ccc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422737 569692808 /nfs/dbraw/zinc/69/28/08/569692808.db2.gz GNBNYZCQLMXWPY-AREMUKBSSA-N 0 1 492.019 5.544 50 0 JKAAMN CCCC(=O)Nc1ccc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422728 569692907 /nfs/dbraw/zinc/69/29/07/569692907.db2.gz JNBUKFFNOMTFJK-HHHXNRCGSA-N 0 1 492.019 5.688 50 0 JKAAMN CN1CCN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cc2)CC1 ZINC000069720709 569693663 /nfs/dbraw/zinc/69/36/63/569693663.db2.gz NCIGDUUAUFPODM-UHFFFAOYSA-N 0 1 486.019 5.256 50 0 JKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000069740034 569693690 /nfs/dbraw/zinc/69/36/90/569693690.db2.gz BZTLSEZNFRKZHE-UHFFFAOYSA-N 0 1 497.403 6.714 50 0 JKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000069740032 569693695 /nfs/dbraw/zinc/69/36/95/569693695.db2.gz QYNBVUKQBGFJOC-UHFFFAOYSA-N 0 1 490.195 6.353 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427429 569694465 /nfs/dbraw/zinc/69/44/65/569694465.db2.gz GJTKIVGHOUVHFF-MHZLTWQESA-N 0 1 482.653 6.362 50 0 JKAAMN Cc1cccn2c(=O)c(CCN3CCCc4c(c5cc(F)ccc5n4-c4ccc(F)cc4)C3)c(C)nc12 ZINC000085393573 569710035 /nfs/dbraw/zinc/71/00/35/569710035.db2.gz RRVOFYHSMRVZMG-UHFFFAOYSA-N 0 1 498.577 5.524 50 0 JKAAMN CCCC(=O)OC[C@H](O)CN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840653 569713747 /nfs/dbraw/zinc/71/37/47/569713747.db2.gz PWZPCVANTXBUTN-MUUNZHRXSA-N 0 1 476.661 5.540 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000035843162 569714198 /nfs/dbraw/zinc/71/41/98/569714198.db2.gz GPTGDOKEXAVNIW-NSBPXKJOSA-N 0 1 480.539 5.086 50 0 JKAAMN CC(C)CCN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844725 569715251 /nfs/dbraw/zinc/71/52/51/569715251.db2.gz QHWCZUBVSKOUJV-UHFFFAOYSA-N 0 1 450.495 6.882 50 0 JKAAMN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844748 569715279 /nfs/dbraw/zinc/71/52/79/569715279.db2.gz IMSXPLCRLGUNCF-UHFFFAOYSA-N 0 1 453.026 6.115 50 0 JKAAMN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(Br)cc1 ZINC000035844807 569715357 /nfs/dbraw/zinc/71/53/57/569715357.db2.gz ITUHGPNZKMGMCG-OAQYLSRUSA-N 0 1 497.477 6.223 50 0 JKAAMN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844784 569715407 /nfs/dbraw/zinc/71/54/07/569715407.db2.gz GTBSBYQPZYIBHC-NRFANRHFSA-N 0 1 453.026 6.113 50 0 JKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccc(C)cc3c2=O)cc1 ZINC000085879190 569716278 /nfs/dbraw/zinc/71/62/78/569716278.db2.gz DSZYJMVYZVMKCX-QGZVFWFLSA-N 0 1 496.471 5.030 50 0 biogenic JKAAMN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871432 569718851 /nfs/dbraw/zinc/71/88/51/569718851.db2.gz XRYZNNMREQSSSX-AOYPEHQESA-N 0 1 497.536 5.024 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2oc3ccccc3c2C)ccc1C ZINC000089651359 569719411 /nfs/dbraw/zinc/71/94/11/569719411.db2.gz QUYLBCSQAPEKST-UHFFFAOYSA-N 0 1 450.516 5.111 50 0 JKAAMN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000095473322 569723765 /nfs/dbraw/zinc/72/37/65/569723765.db2.gz KYVUZSJSHFBFAJ-JOCHJYFZSA-N 0 1 453.989 5.235 50 0 JKAAMN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1C ZINC000035912504 569727560 /nfs/dbraw/zinc/72/75/60/569727560.db2.gz ASKSUUGWCBZZGK-AREMUKBSSA-N 0 1 489.622 5.431 50 0 JKAAMN CCCN1CCc2c(c(CN(C(=O)c3cccc(OC)c3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926213 569729627 /nfs/dbraw/zinc/72/96/27/569729627.db2.gz GQBMKBREKIPLGK-UHFFFAOYSA-N 0 1 460.622 5.008 50 0 JKAAMN CCCN1CCc2c(c(CN(C(=O)[C@H](CC)c3ccccc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926211 569729678 /nfs/dbraw/zinc/72/96/78/569729678.db2.gz SKDMGSISAGKWGJ-AREMUKBSSA-N 0 1 472.677 5.880 50 0 JKAAMN CCCc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000095949425 569731325 /nfs/dbraw/zinc/73/13/25/569731325.db2.gz CTAMCWIQZYZMND-UHFFFAOYSA-N 0 1 491.639 5.703 50 0 JKAAMN CC12C(=O)C([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000096182616 569737021 /nfs/dbraw/zinc/73/70/21/569737021.db2.gz CRZYYNZUSNTEQP-HIHFKTQKSA-N 0 1 458.605 6.350 50 0 JKAAMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc(C=Cc3cccs3)n[nH]2)c1 ZINC000096401439 569740425 /nfs/dbraw/zinc/74/04/25/569740425.db2.gz HYRVHFFBKBMXAX-QXMHVHEDSA-N 0 1 475.599 5.328 50 0 JKAAMN Cc1nc(COc2ccccc2/C=C\C(=O)Nc2cccc(CN3CCSCC3)c2C)cs1 ZINC000096402494 569740435 /nfs/dbraw/zinc/74/04/35/569740435.db2.gz JKMSGXQWBZCZTD-KHPPLWFESA-N 0 1 479.671 5.540 50 0 JKAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000096523421 569740731 /nfs/dbraw/zinc/74/07/31/569740731.db2.gz MDMRHLDFKRLGDJ-UHFFFAOYSA-N 0 1 488.035 5.280 50 0 JKAAMN CCOC(=O)c1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000096593730 569742136 /nfs/dbraw/zinc/74/21/36/569742136.db2.gz WGMMAXIAKYZECW-UHFFFAOYSA-N 0 1 480.608 6.039 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036006979 569747634 /nfs/dbraw/zinc/74/76/34/569747634.db2.gz UXUOYKZOFGFALT-DURBRWELSA-N 0 1 494.522 5.207 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036006979 569747635 /nfs/dbraw/zinc/74/76/35/569747635.db2.gz UXUOYKZOFGFALT-DURBRWELSA-N 0 1 494.522 5.207 50 0 JKAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000098003812 569749414 /nfs/dbraw/zinc/74/94/14/569749414.db2.gz OGCDFRKLRWZFMB-NMIWIPSGSA-N 0 1 472.589 5.824 50 0 JKAAMN COc1cccc(CN(Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)CC(C)C)c1OC ZINC000036202326 569757012 /nfs/dbraw/zinc/75/70/12/569757012.db2.gz GEHJELXLLOBOAL-UHFFFAOYSA-N 0 1 485.624 6.239 50 0 JKAAMN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036301838 569759185 /nfs/dbraw/zinc/75/91/85/569759185.db2.gz PVUZCHJZYHULDU-XMMPIXPASA-N 0 1 498.067 6.014 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000100425380 569760042 /nfs/dbraw/zinc/76/00/42/569760042.db2.gz JGFDXCSKDDZJGE-HEIROHQZSA-N 0 1 496.626 8.265 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100425265 569760072 /nfs/dbraw/zinc/76/00/72/569760072.db2.gz KAUMIFVSHVICQL-GTYOFVGBSA-N 0 1 499.054 8.470 50 0 JKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccs1)C(F)(F)F ZINC000100426907 569760340 /nfs/dbraw/zinc/76/03/40/569760340.db2.gz LJGOUENEFWNAKB-CMJOXMDJSA-N 0 1 486.490 7.000 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426798 569760353 /nfs/dbraw/zinc/76/03/53/569760353.db2.gz XEWSGFCXLOZCRO-WHLCRQNOSA-N 0 1 491.418 7.954 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426789 569760376 /nfs/dbraw/zinc/76/03/76/569760376.db2.gz XEWSGFCXLOZCRO-GDJIYFAZSA-N 0 1 491.418 7.954 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 ZINC000100426342 569760386 /nfs/dbraw/zinc/76/03/86/569760386.db2.gz HMONIMRXFALQGK-MYUZEXMDSA-N 0 1 458.583 6.717 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 ZINC000100426345 569760407 /nfs/dbraw/zinc/76/04/07/569760407.db2.gz HMONIMRXFALQGK-CLYVBNDRSA-N 0 1 458.583 6.717 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426968 569760508 /nfs/dbraw/zinc/76/05/08/569760508.db2.gz HRZGVMVEIWLPKD-KCWXNJEJSA-N 0 1 494.978 7.797 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000100426985 569760539 /nfs/dbraw/zinc/76/05/39/569760539.db2.gz CBYNEMMKENIHOJ-XHCCPWGMSA-N 0 1 466.562 7.205 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426963 569760553 /nfs/dbraw/zinc/76/05/53/569760553.db2.gz HRZGVMVEIWLPKD-LGGPFLRQSA-N 0 1 494.978 7.797 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429253 569760699 /nfs/dbraw/zinc/76/06/99/569760699.db2.gz RECBMKIZBSISHS-LGGPFLRQSA-N 0 1 454.570 7.410 50 0 JKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100429590 569760707 /nfs/dbraw/zinc/76/07/07/569760707.db2.gz DMDHLKQBLSCHHE-RCRUUEGKSA-N 0 1 490.559 7.152 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccco3)C2)cc1 ZINC000100429442 569760726 /nfs/dbraw/zinc/76/07/26/569760726.db2.gz CQSGQIRHQUVHOS-RCRUUEGKSA-N 0 1 490.559 7.152 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(F)c2)cc1 ZINC000100429696 569760821 /nfs/dbraw/zinc/76/08/21/569760821.db2.gz MDJPGTGLJLUWEZ-NGOKVRLYSA-N 0 1 456.517 6.404 50 0 JKAAMN CCCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313744 569761020 /nfs/dbraw/zinc/76/10/20/569761020.db2.gz RWMZXCOTEAMONZ-HSZRJFAPSA-N 0 1 451.611 5.745 50 0 JKAAMN CCCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313829 569761206 /nfs/dbraw/zinc/76/12/06/569761206.db2.gz SJUXGPAIIDDAPP-QFIPXVFZSA-N 0 1 455.574 5.018 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036313929 569761650 /nfs/dbraw/zinc/76/16/50/569761650.db2.gz FWVQTJFOHXLBLO-HSZRJFAPSA-N 0 1 484.040 5.675 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313991 569761713 /nfs/dbraw/zinc/76/17/13/569761713.db2.gz XVVNDFYJXMSHCX-RSXGOPAZSA-N 0 1 493.648 5.038 50 0 JKAAMN Cn1nc(-c2ccccc2)c(CN(Cc2ccccc2)C[C@@H](O)COC(C)(C)C)c1Oc1ccccc1 ZINC000036316204 569762311 /nfs/dbraw/zinc/76/23/11/569762311.db2.gz YOGLJIZEPRQMMU-AREMUKBSSA-N 0 1 499.655 6.058 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036316305 569762515 /nfs/dbraw/zinc/76/25/15/569762515.db2.gz CFCAXGBIPMXBQZ-HSZRJFAPSA-N 0 1 465.638 5.615 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036316298 569762524 /nfs/dbraw/zinc/76/25/24/569762524.db2.gz ZSNZYDUXLWPBTQ-DEOSSOPVSA-N 0 1 465.638 5.473 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036316326 569762580 /nfs/dbraw/zinc/76/25/80/569762580.db2.gz WPZWUBIGYVGIOR-VWLOTQADSA-N 0 1 477.649 5.473 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036316304 569762622 /nfs/dbraw/zinc/76/26/22/569762622.db2.gz CFCAXGBIPMXBQZ-QHCPKHFHSA-N 0 1 465.638 5.615 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000036316299 569762655 /nfs/dbraw/zinc/76/26/55/569762655.db2.gz ZSNZYDUXLWPBTQ-XMMPIXPASA-N 0 1 465.638 5.473 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000036316292 569762670 /nfs/dbraw/zinc/76/26/70/569762670.db2.gz WHRMFIBEBUALOE-VWLOTQADSA-N 0 1 485.628 5.879 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316393 569762810 /nfs/dbraw/zinc/76/28/10/569762810.db2.gz LREDNQDFYNIWAP-DEOSSOPVSA-N 0 1 495.664 5.624 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036316503 569763266 /nfs/dbraw/zinc/76/32/66/569763266.db2.gz LMINUXCYTSLJSZ-HSZRJFAPSA-N 0 1 469.601 5.364 50 0 JKAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340852 569763943 /nfs/dbraw/zinc/76/39/43/569763943.db2.gz FVGXYIGHHZNSGL-DEOSSOPVSA-N 0 1 476.640 5.109 50 0 JKAAMN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341224 569764385 /nfs/dbraw/zinc/76/43/85/569764385.db2.gz LGHPWBQDFNBLJF-GDLZYMKVSA-N 0 1 485.603 5.467 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036341287 569764501 /nfs/dbraw/zinc/76/45/01/569764501.db2.gz FKEDNLUHXBBLPY-NDEPHWFRSA-N 0 1 473.567 5.597 50 0 JKAAMN COc1ccc([C@@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000100561539 569764597 /nfs/dbraw/zinc/76/45/97/569764597.db2.gz MQZFQOPVCCCRKK-NRFANRHFSA-N 0 1 455.341 6.095 50 0 JKAAMN COc1ccc([C@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000100561540 569764631 /nfs/dbraw/zinc/76/46/31/569764631.db2.gz MQZFQOPVCCCRKK-OAQYLSRUSA-N 0 1 455.341 6.095 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000036341570 569764715 /nfs/dbraw/zinc/76/47/15/569764715.db2.gz WYEKQXMZQYGDEX-MUUNZHRXSA-N 0 1 455.577 5.458 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3cccn3C)C2)cc1C ZINC000036341916 569764810 /nfs/dbraw/zinc/76/48/10/569764810.db2.gz KBQALUFHIZKNTL-LJAQVGFWSA-N 0 1 468.645 5.274 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341838 569764878 /nfs/dbraw/zinc/76/48/78/569764878.db2.gz XBRJAEIOBDZDPF-MHZLTWQESA-N 0 1 499.586 5.187 50 0 JKAAMN Cn1cccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341936 569764947 /nfs/dbraw/zinc/76/49/47/569764947.db2.gz VBHPWYOBACSAPF-MHZLTWQESA-N 0 1 475.036 5.311 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036342116 569765465 /nfs/dbraw/zinc/76/54/65/569765465.db2.gz BXGBBLKYONMTOU-VWLOTQADSA-N 0 1 481.612 5.358 50 0 JKAAMN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000100641700 569766086 /nfs/dbraw/zinc/76/60/86/569766086.db2.gz YDUIKULFHHFVTE-XGCWNURASA-N 0 1 488.540 5.875 50 0 JKAAMN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343360 569766310 /nfs/dbraw/zinc/76/63/10/569766310.db2.gz AALYXROTEKFYHL-GDLZYMKVSA-N 0 1 497.639 5.336 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036343735 569766504 /nfs/dbraw/zinc/76/65/04/569766504.db2.gz KHQZFYCXLCBBJK-MUUNZHRXSA-N 0 1 472.032 5.972 50 0 JKAAMN CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344092 569766716 /nfs/dbraw/zinc/76/67/16/569766716.db2.gz KPLPAMFSFIBUTL-HKBQPEDESA-N 0 1 495.667 6.026 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344453 569767024 /nfs/dbraw/zinc/76/70/24/569767024.db2.gz GAWRFEOUEOMESI-MUUNZHRXSA-N 0 1 495.623 5.356 50 0 JKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344637 569767274 /nfs/dbraw/zinc/76/72/74/569767274.db2.gz KCFXXRCXTPMQDJ-WJOKGBTCSA-N 0 1 479.668 6.244 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344992 569767719 /nfs/dbraw/zinc/76/77/19/569767719.db2.gz ROIRUJIOHWTHNJ-WJOKGBTCSA-N 0 1 479.668 6.244 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345207 569767776 /nfs/dbraw/zinc/76/77/76/569767776.db2.gz FMSUETRHAMTEDO-NDEPHWFRSA-N 0 1 455.577 5.458 50 0 JKAAMN Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345543 569768037 /nfs/dbraw/zinc/76/80/37/569768037.db2.gz TURREYZEZVQLOD-LJAQVGFWSA-N 0 1 451.614 5.627 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036345618 569768042 /nfs/dbraw/zinc/76/80/42/569768042.db2.gz VOPPBMWBBFGBRS-HHHXNRCGSA-N 0 1 499.586 5.187 50 0 JKAAMN COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036345646 569768075 /nfs/dbraw/zinc/76/80/75/569768075.db2.gz FNPSIHGFXZHTCJ-SSEXGKCCSA-N 0 1 481.640 5.636 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)Cc1ccccc1)C(C)C ZINC000036345803 569768209 /nfs/dbraw/zinc/76/82/09/569768209.db2.gz YKIOGURSZPMEFD-AREMUKBSSA-N 0 1 487.619 6.180 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036345946 569768640 /nfs/dbraw/zinc/76/86/40/569768640.db2.gz YYCWZVBMHRUYDZ-AREMUKBSSA-N 0 1 477.649 5.527 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346068 569768751 /nfs/dbraw/zinc/76/87/51/569768751.db2.gz DOCVRMWVNURADV-JOCHJYFZSA-N 0 1 469.601 5.500 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@H]34)C2)cc1OC ZINC000100750393 569768812 /nfs/dbraw/zinc/76/88/12/569768812.db2.gz SBSGQJMKZQKZQW-XGCWNURASA-N 0 1 452.510 5.881 50 0 biogenic JKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@H]34)C2)cc1OC ZINC000100750391 569768825 /nfs/dbraw/zinc/76/88/25/569768825.db2.gz SBSGQJMKZQKZQW-CBZJRKILSA-N 0 1 452.510 5.881 50 0 biogenic JKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]34)C2)cc1OC ZINC000100750387 569768887 /nfs/dbraw/zinc/76/88/87/569768887.db2.gz SBSGQJMKZQKZQW-SOKVYYICSA-N 0 1 452.510 5.881 50 0 biogenic JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036346290 569769446 /nfs/dbraw/zinc/76/94/46/569769446.db2.gz HZJHNYCMBLAKDT-HSZRJFAPSA-N 0 1 455.574 5.108 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346386 569769650 /nfs/dbraw/zinc/76/96/50/569769650.db2.gz UCBXMSVTXDQIPK-QHCPKHFHSA-N 0 1 469.601 5.500 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346434 569769699 /nfs/dbraw/zinc/76/96/99/569769699.db2.gz JDKXREOCSLHTTF-XMMPIXPASA-N 0 1 481.612 5.500 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346425 569769765 /nfs/dbraw/zinc/76/97/65/569769765.db2.gz HUKBYGVYRJYPDO-VWLOTQADSA-N 0 1 481.612 5.358 50 0 JKAAMN CCOC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346479 569769863 /nfs/dbraw/zinc/76/98/63/569769863.db2.gz VYXDSJNCVPVWME-HSZRJFAPSA-N 0 1 481.637 5.404 50 0 JKAAMN CCCN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)CC ZINC000036346494 569769884 /nfs/dbraw/zinc/76/98/84/569769884.db2.gz HWCJWANYMFSTNX-QFIPXVFZSA-N 0 1 451.611 5.780 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346530 569769945 /nfs/dbraw/zinc/76/99/45/569769945.db2.gz YKHDZKIJLAGPPX-RUZDIDTESA-N 0 1 477.649 5.533 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036346529 569769948 /nfs/dbraw/zinc/76/99/48/569769948.db2.gz YKHDZKIJLAGPPX-VWLOTQADSA-N 0 1 477.649 5.533 50 0 JKAAMN CCCN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)COCC ZINC000036346499 569769958 /nfs/dbraw/zinc/76/99/58/569769958.db2.gz BPBAEEUDTFFBRD-QHCPKHFHSA-N 0 1 481.637 5.406 50 0 JKAAMN COc1ccc(-n2nc(C(C)C)c(CN(C[C@H](O)c3ccccc3)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346465 569769989 /nfs/dbraw/zinc/76/99/89/569769989.db2.gz QFGMBDQQAIUTDB-LJAQVGFWSA-N 0 1 499.655 6.741 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036346508 569769999 /nfs/dbraw/zinc/76/99/99/569769999.db2.gz OIYFXYRFYSFFPT-XMMPIXPASA-N 0 1 465.638 5.532 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036346599 569770074 /nfs/dbraw/zinc/77/00/74/569770074.db2.gz VUIHSRJMZAVYKX-QHCPKHFHSA-N 0 1 487.591 5.497 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346594 569770131 /nfs/dbraw/zinc/77/01/31/569770131.db2.gz GBHUHIMWJASHOS-QHCPKHFHSA-N 0 1 487.591 5.639 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COC(C)C)C(C)C ZINC000036346637 569770298 /nfs/dbraw/zinc/77/02/98/569770298.db2.gz VYIZGCSNSZCAFX-QHCPKHFHSA-N 0 1 473.564 5.248 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346664 569770420 /nfs/dbraw/zinc/77/04/20/569770420.db2.gz HDZUGXYIFBVVSV-HSZRJFAPSA-N 0 1 487.591 5.639 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346606 569770436 /nfs/dbraw/zinc/77/04/36/569770436.db2.gz RAPXCGGQEYVPLC-JOCHJYFZSA-N 0 1 487.591 5.639 50 0 JKAAMN CCCCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346675 569770584 /nfs/dbraw/zinc/77/05/84/569770584.db2.gz UNGGWZDENUHHHX-XMMPIXPASA-N 0 1 487.591 5.641 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346717 569770657 /nfs/dbraw/zinc/77/06/57/569770657.db2.gz ZCRPYWWPKADFLK-XMMPIXPASA-N 0 1 487.591 5.639 50 0 JKAAMN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346715 569770688 /nfs/dbraw/zinc/77/06/88/569770688.db2.gz VOLHTWLHEXVGSZ-QHCPKHFHSA-N 0 1 457.565 6.013 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036346699 569770703 /nfs/dbraw/zinc/77/07/03/569770703.db2.gz HOFNTEMVTVGZTD-DEOSSOPVSA-N 0 1 487.591 5.495 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346767 569770774 /nfs/dbraw/zinc/77/07/74/569770774.db2.gz HEBPBEQUUQKFTH-QHCPKHFHSA-N 0 1 457.565 6.014 50 0 JKAAMN Cc1ccc(Oc2c(CN(Cc3ccccc3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346798 569770785 /nfs/dbraw/zinc/77/07/85/569770785.db2.gz RUSYDLAXUJESFB-HHHXNRCGSA-N 0 1 499.655 5.976 50 0 JKAAMN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346809 569770838 /nfs/dbraw/zinc/77/08/38/569770838.db2.gz KIWLJXMOGOOHCN-MHZLTWQESA-N 0 1 483.656 6.741 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036346760 569770865 /nfs/dbraw/zinc/77/08/65/569770865.db2.gz BBPXOCFJJPTRRQ-HSZRJFAPSA-N 0 1 487.591 5.639 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036346752 569770898 /nfs/dbraw/zinc/77/08/98/569770898.db2.gz CPTROJWXDUICOO-XMMPIXPASA-N 0 1 487.591 5.497 50 0 JKAAMN CCCCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346770 569770901 /nfs/dbraw/zinc/77/09/01/569770901.db2.gz IIECWYPGCXXSFC-DEOSSOPVSA-N 0 1 487.591 5.641 50 0 JKAAMN FC(F)(F)c1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036347353 569770968 /nfs/dbraw/zinc/77/09/68/569770968.db2.gz QYNZFNDAEFLUEU-HHHXNRCGSA-N 0 1 462.515 7.295 50 0 JKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3ccccc3OC)c2c1 ZINC000036353278 569771454 /nfs/dbraw/zinc/77/14/54/569771454.db2.gz WNXMQCVPMXQAER-NDEPHWFRSA-N 0 1 478.552 5.363 50 0 JKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3ccc(O)cc3)c2c1 ZINC000036360920 569772729 /nfs/dbraw/zinc/77/27/29/569772729.db2.gz LSWLNPBKGTXWIH-MHZLTWQESA-N 0 1 464.525 5.060 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccc(F)c2)cc1 ZINC000100903592 569774996 /nfs/dbraw/zinc/77/49/96/569774996.db2.gz ZEIMMRHLHQEASM-PBBNMVCDSA-N 0 1 482.555 6.794 50 0 JKAAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000100991330 569778755 /nfs/dbraw/zinc/77/87/55/569778755.db2.gz FODDKUWTGZMFIU-XDBZFTIUSA-N 0 1 491.418 7.954 50 0 JKAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000101028395 569780012 /nfs/dbraw/zinc/78/00/12/569780012.db2.gz COLRNCLXYGUNNM-BDTNDASRSA-N 0 1 469.324 5.053 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000101097058 569782437 /nfs/dbraw/zinc/78/24/37/569782437.db2.gz JIMDJLIZXQZJMR-URAOTHONSA-N 0 1 498.579 6.282 50 0 JKAAMN CC(C)C1=NN(c2ccccc2)C(=O)C1c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000101099587 569782584 /nfs/dbraw/zinc/78/25/84/569782584.db2.gz VLTWQUSJJXPRIR-UHFFFAOYSA-N 0 1 476.374 6.383 50 0 JKAAMN CC(C)c1[nH]n(-c2ccccc2)c(=O)c1-c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000101099587 569782585 /nfs/dbraw/zinc/78/25/85/569782585.db2.gz VLTWQUSJJXPRIR-UHFFFAOYSA-N 0 1 476.374 6.383 50 0 JKAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000101144582 569784472 /nfs/dbraw/zinc/78/44/72/569784472.db2.gz XIHVMRAZUQUDDW-SDHSZQHLSA-N 0 1 471.944 5.489 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101149904 569784657 /nfs/dbraw/zinc/78/46/57/569784657.db2.gz MEHNVWVGHSGVRX-VXNXHJTFSA-N 0 1 460.961 5.689 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101149904 569784658 /nfs/dbraw/zinc/78/46/58/569784658.db2.gz MEHNVWVGHSGVRX-VXNXHJTFSA-N 0 1 460.961 5.689 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(Cc4cccs4)CC3)c12 ZINC000037380046 569784859 /nfs/dbraw/zinc/78/48/59/569784859.db2.gz KNCUZTHERYKZRP-UHFFFAOYSA-N 0 1 498.631 5.238 50 0 JKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccc(OC)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000037570522 569795731 /nfs/dbraw/zinc/79/57/31/569795731.db2.gz RYYBEDJDBWBBLM-UHFFFAOYSA-N 0 1 460.574 5.024 50 0 JKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccc3OC)CC2)c1 ZINC000037570529 569795783 /nfs/dbraw/zinc/79/57/83/569795783.db2.gz YWQZNKYZMBTIFX-UHFFFAOYSA-N 0 1 464.993 5.669 50 0 JKAAMN Cc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037572234 569795841 /nfs/dbraw/zinc/79/58/41/569795841.db2.gz POTAEEBDJCGFGE-UHFFFAOYSA-N 0 1 473.013 5.647 50 0 JKAAMN Cc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570699 569795861 /nfs/dbraw/zinc/79/58/61/569795861.db2.gz CFKVKFWDFBOHLS-UHFFFAOYSA-N 0 1 452.595 5.302 50 0 JKAAMN Cc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c1 ZINC000037571142 569795927 /nfs/dbraw/zinc/79/59/27/569795927.db2.gz MHILDAAKXPNOMR-UHFFFAOYSA-N 0 1 452.595 5.302 50 0 JKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101395760 569796167 /nfs/dbraw/zinc/79/61/67/569796167.db2.gz JFVDYLMPWBCMSI-NFQMXDRXSA-N 0 1 482.536 6.026 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccnc1 ZINC000101395981 569796204 /nfs/dbraw/zinc/79/62/04/569796204.db2.gz RWEXTGKKDCBDJB-MNNSJKJDSA-N 0 1 465.597 6.949 50 0 JKAAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101413221 569797153 /nfs/dbraw/zinc/79/71/53/569797153.db2.gz NHXSVZUBFZGBBR-DJUQAAIZSA-N 0 1 478.592 6.964 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2ccc(F)cc2)cc1 ZINC000101439114 569797515 /nfs/dbraw/zinc/79/75/15/569797515.db2.gz CSXQOSJXANIMDW-UGDMGKLASA-N 0 1 498.598 7.431 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(OC)c2)cc1 ZINC000101431151 569797566 /nfs/dbraw/zinc/79/75/66/569797566.db2.gz WBXJKNDBTIKCIF-ONOMSOESSA-N 0 1 468.553 6.274 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2ccc(F)cc2)cc1 ZINC000101439116 569797570 /nfs/dbraw/zinc/79/75/70/569797570.db2.gz CSXQOSJXANIMDW-UVDDSOTQSA-N 0 1 498.598 7.431 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(OC)c2)cc1 ZINC000101431149 569797578 /nfs/dbraw/zinc/79/75/78/569797578.db2.gz WBXJKNDBTIKCIF-KCWXNJEJSA-N 0 1 468.553 6.274 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000101493417 569799785 /nfs/dbraw/zinc/79/97/85/569799785.db2.gz DUUSGSXXPDBQLV-WKRVVKTRSA-N 0 1 482.599 7.956 50 0 JKAAMN Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=Nc3ccccc3S2)s1 ZINC000101494738 569799849 /nfs/dbraw/zinc/79/98/49/569799849.db2.gz GZRYPMJMDOUUAX-HXUWFJFHSA-N 0 1 496.013 5.613 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000101493416 569799862 /nfs/dbraw/zinc/79/98/62/569799862.db2.gz DUUSGSXXPDBQLV-UVDDSOTQSA-N 0 1 482.599 7.956 50 0 JKAAMN Cc1ccsc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2O)=Nc2ccccc2S1 ZINC000101494821 569800149 /nfs/dbraw/zinc/80/01/49/569800149.db2.gz TYMHARCVTGXEMT-LJQANCHMSA-N 0 1 496.013 5.613 50 0 JKAAMN Cc1nc(-c2ccc(C)cc2)sc1-c1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)n[nH]1 ZINC000038486714 569801612 /nfs/dbraw/zinc/80/16/12/569801612.db2.gz WVMZRQHUFKMZOD-UHFFFAOYSA-N 0 1 471.630 5.396 50 0 JKAAMN COc1ccccc1[C@H](c1c(NC(=O)c2ccco2)sc2c1CCCC2)N1CCCCC1 ZINC000038545958 569802697 /nfs/dbraw/zinc/80/26/97/569802697.db2.gz HVHJSJHCJDYLSU-XMMPIXPASA-N 0 1 450.604 6.056 50 0 JKAAMN COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)cc1OC ZINC000038546137 569802724 /nfs/dbraw/zinc/80/27/24/569802724.db2.gz KWWXXLGJFXIGNF-RUZDIDTESA-N 0 1 480.630 6.065 50 0 JKAAMN CCc1cc([C@@H](c2cccc(OC)c2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546301 569802790 /nfs/dbraw/zinc/80/27/90/569802790.db2.gz PMNMWJLNKMTHHN-HSZRJFAPSA-N 0 1 468.619 5.994 50 0 JKAAMN COc1ccc(OC)c([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)c1 ZINC000038546272 569802830 /nfs/dbraw/zinc/80/28/30/569802830.db2.gz MWYKYBAHRWLKHD-QHCPKHFHSA-N 0 1 454.592 5.740 50 0 JKAAMN CC1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546316 569802878 /nfs/dbraw/zinc/80/28/78/569802878.db2.gz DHLZOYJIZGAZFU-XMMPIXPASA-N 0 1 452.595 6.433 50 0 JKAAMN CCc1cc([C@H](c2cccc(OC)c2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546302 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JKAAMN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000239310282 570050682 /nfs/dbraw/zinc/05/06/82/570050682.db2.gz IHIZPTOMMUMKHH-WWDWLDGVSA-N 0 1 460.533 5.368 50 0 JKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000239338968 570050976 /nfs/dbraw/zinc/05/09/76/570050976.db2.gz LMVBGQWMUPPPGU-XHWIWGEHSA-N 0 1 490.559 5.458 50 0 JKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000239338968 570050978 /nfs/dbraw/zinc/05/09/78/570050978.db2.gz LMVBGQWMUPPPGU-XHWIWGEHSA-N 0 1 490.559 5.458 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000239358421 570051210 /nfs/dbraw/zinc/05/12/10/570051210.db2.gz NGKKCMHSBRWVPL-UWPQIUOOSA-N 0 1 480.951 5.713 50 0 JKAAMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000239358421 570051211 /nfs/dbraw/zinc/05/12/11/570051211.db2.gz NGKKCMHSBRWVPL-UWPQIUOOSA-N 0 1 480.951 5.713 50 0 JKAAMN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCCC[C@H]1c1cccnc1 ZINC000244873587 570054280 /nfs/dbraw/zinc/05/42/80/570054280.db2.gz WSNTXTHLXWKACR-AHKZPQOWSA-N 0 1 459.565 5.300 50 0 JKAAMN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000245242239 570058772 /nfs/dbraw/zinc/05/87/72/570058772.db2.gz PAOUSIQTYVKBIL-WWDWLDGVSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000245242239 570058774 /nfs/dbraw/zinc/05/87/74/570058774.db2.gz PAOUSIQTYVKBIL-WWDWLDGVSA-N 0 1 476.532 5.068 50 0 JKAAMN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000245257431 570060640 /nfs/dbraw/zinc/06/06/40/570060640.db2.gz ZNNLMDBDJVWTJJ-WUFINQPMSA-N 0 1 467.588 6.239 50 0 JKAAMN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1ccccc1 ZINC000245281236 570062047 /nfs/dbraw/zinc/06/20/47/570062047.db2.gz WMNYBFHKXSIINF-ILBGXUMGSA-N 0 1 493.648 5.036 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281371 570062360 /nfs/dbraw/zinc/06/23/60/570062360.db2.gz XVVNDFYJXMSHCX-AZGAKELHSA-N 0 1 493.648 5.038 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000245309110 570062856 /nfs/dbraw/zinc/06/28/56/570062856.db2.gz BHILAFPBTYDLPB-LCQQBMRFSA-N 0 1 496.994 5.601 50 0 JKAAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@H]3C2=O)cc1Cl ZINC000245310735 570063369 /nfs/dbraw/zinc/06/33/69/570063369.db2.gz KGDAWQUMZNCGLS-TWJOJJKGSA-N 0 1 468.940 5.853 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1cccnc1)[C@]21c2ccccc2NC1=O ZINC000245312268 570063734 /nfs/dbraw/zinc/06/37/34/570063734.db2.gz SIIKHIDEESCFAH-XZSHTLEFSA-N 0 1 491.591 5.060 50 0 JKAAMN CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327082 570065111 /nfs/dbraw/zinc/06/51/11/570065111.db2.gz IRGAHQCHJJNPON-UPVQGACJSA-N 0 1 478.574 6.201 50 0 JKAAMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000245343771 570067460 /nfs/dbraw/zinc/06/74/60/570067460.db2.gz ZMFQLTWWTZAALK-PWUYWRBVSA-N 0 1 474.620 6.418 50 0 JKAAMN O=C(c1ccccc1)[C@@H]1ON(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1=C(O)c1ccccc1 ZINC000247882483 570070650 /nfs/dbraw/zinc/07/06/50/570070650.db2.gz WAGQEMULYPFMKX-LUXHBGHRSA-N 0 1 461.517 5.440 50 0 JKAAMN CCCCCCC(=O)N1CCN(C(=O)[C@@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104750 570074062 /nfs/dbraw/zinc/07/40/62/570074062.db2.gz QKGDKLXZHSQQTI-AJTFRIOCSA-N 0 1 481.706 5.034 50 0 JKAAMN CNC(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1cc2c(c(OC)c1)OCO2 ZINC000252496066 570082119 /nfs/dbraw/zinc/08/21/19/570082119.db2.gz PENZAJRSFJDCRR-UHFFFAOYSA-N 0 1 480.564 5.212 50 0 JKAAMN O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253402737 570096714 /nfs/dbraw/zinc/09/67/14/570096714.db2.gz GQKVEZZTFOPKCY-MRXNPFEDSA-N 0 1 484.838 5.861 50 0 JKAAMN O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253402737 570096716 /nfs/dbraw/zinc/09/67/16/570096716.db2.gz GQKVEZZTFOPKCY-MRXNPFEDSA-N 0 1 484.838 5.861 50 0 JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]43C)[nH]c2c1 ZINC000253531571 570103069 /nfs/dbraw/zinc/10/30/69/570103069.db2.gz PNDIQIYGAYXTNR-LEVSJJOMSA-N 0 1 462.722 7.460 50 0 JKAAMN CC(O)=CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3CC[C@H]2C1 ZINC000253532422 570103200 /nfs/dbraw/zinc/10/32/00/570103200.db2.gz OUVBVUVUDJWLQL-RBDUHCQGSA-N 0 1 472.754 7.999 50 0 JKAAMN CC(O)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000253609343 570104536 /nfs/dbraw/zinc/10/45/36/570104536.db2.gz OUVBVUVUDJWLQL-SWALUZMXSA-N 0 1 472.754 7.999 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5C[C@H](O)[C@@]43C)[nH]c2c1 ZINC000253615104 570104945 /nfs/dbraw/zinc/10/49/45/570104945.db2.gz YBTASYSZWGVCAL-XLJNTEGISA-N 0 1 478.721 6.431 50 0 JKAAMN CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)cc1 ZINC000334163303 570185115 /nfs/dbraw/zinc/18/51/15/570185115.db2.gz NZJDPZWFAIPCAA-NRFANRHFSA-N 0 1 465.962 5.865 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2c([C@@H]3CCC(=O)N3Cc3ccc(F)cc3)c3ccccc3n2C)cc1 ZINC000334163627 570185247 /nfs/dbraw/zinc/18/52/47/570185247.db2.gz ZFQDMEQFSUDYLQ-DEOSSOPVSA-N 0 1 491.588 5.290 50 0 JKAAMN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000001027391 194005225 /nfs/dbraw/zinc/00/52/25/194005225.db2.gz BEZHBIHENGWZFQ-UHFFFAOYSA-N 0 1 471.478 5.455 50 0 JKAAMN Cc1nc(C)c(-c2cnc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)s1 ZINC000001023959 194004601 /nfs/dbraw/zinc/00/46/01/194004601.db2.gz XZTUTVXRFPPNLO-UHFFFAOYSA-N 0 1 482.431 5.055 50 0 JKAAMN Cn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21 ZINC000001065167 194013779 /nfs/dbraw/zinc/01/37/79/194013779.db2.gz GTIMHWQAGLUSOG-MRXNPFEDSA-N 0 1 452.190 5.222 50 0 JKAAMN COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000001076582 194018407 /nfs/dbraw/zinc/01/84/07/194018407.db2.gz TUCUALPCZUQCEF-UHFFFAOYSA-N 0 1 474.966 5.027 50 0 JKAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1OC ZINC000001076755 194018454 /nfs/dbraw/zinc/01/84/54/194018454.db2.gz UIPRAHALMQGRCD-UHFFFAOYSA-N 0 1 474.966 5.027 50 0 JKAAMN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000001097997 194023605 /nfs/dbraw/zinc/02/36/05/194023605.db2.gz NZJYJGPARUWSKU-UHFFFAOYSA-N 0 1 451.331 5.055 50 0 JKAAMN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000001110613 194027261 /nfs/dbraw/zinc/02/72/61/194027261.db2.gz MQQVZOLUHBTMSZ-UHFFFAOYSA-N 0 1 458.967 5.409 50 0 JKAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(OC)c1 ZINC000001111535 194027857 /nfs/dbraw/zinc/02/78/57/194027857.db2.gz AUVYYFCOVYYHSC-UHFFFAOYSA-N 0 1 488.565 5.424 50 0 JKAAMN CC1=NC(=O)N[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1C(=O)OCc1ccccc1 ZINC000001079041 194019688 /nfs/dbraw/zinc/01/96/88/194019688.db2.gz YHZFSZLKBLQPLM-AREMUKBSSA-N 0 1 498.970 5.564 50 0 JKAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c1 ZINC000001128014 194037322 /nfs/dbraw/zinc/03/73/22/194037322.db2.gz BYSYYIHUFJBZER-UHFFFAOYSA-N 0 1 493.810 5.772 50 0 JKAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)n1 ZINC000001182631 194063647 /nfs/dbraw/zinc/06/36/47/194063647.db2.gz PYXZWXAGILNURT-HSZRJFAPSA-N 0 1 490.610 5.058 50 0 JKAAMN O=S(=O)(Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)c1cccc2cccnc21 ZINC000001431702 194120132 /nfs/dbraw/zinc/12/01/32/194120132.db2.gz HZDGLZQUMSPHFX-UHFFFAOYSA-N 0 1 494.498 5.907 50 0 JKAAMN COC(=O)c1cc2cc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc2s1 ZINC000001392857 194114405 /nfs/dbraw/zinc/11/44/05/194114405.db2.gz QEYDNIMPMPTPTB-UHFFFAOYSA-N 0 1 450.752 5.449 50 0 JKAAMN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)cc1Cl ZINC000003118339 194228068 /nfs/dbraw/zinc/22/80/68/194228068.db2.gz YGBQGUOJWBJRCJ-UHFFFAOYSA-N 0 1 496.032 6.772 50 0 JKAAMN O=C(c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 ZINC000003215554 194240562 /nfs/dbraw/zinc/24/05/62/194240562.db2.gz XXMWUMYPOXAHGP-UHFFFAOYSA-N 0 1 460.477 5.099 50 0 JKAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@@H](c3cccs3)N3CCCC3)cc12 ZINC000003265064 194256294 /nfs/dbraw/zinc/25/62/94/194256294.db2.gz FHVVRMVZRQSQTH-VGSWGCGISA-N 0 1 450.633 5.412 50 0 JKAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@H](c3cccs3)N3CCCC3)cc12 ZINC000003265065 194256303 /nfs/dbraw/zinc/25/63/03/194256303.db2.gz FHVVRMVZRQSQTH-HTAPYJJXSA-N 0 1 450.633 5.412 50 0 JKAAMN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)[C@H](c3cccs3)N3CCCC3)cc12 ZINC000003265094 194256308 /nfs/dbraw/zinc/25/63/08/194256308.db2.gz MOBKIYYHKOUDGL-OPAMFIHVSA-N 0 1 485.078 6.066 50 0 JKAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@H](c3cccs3)N3CCCC3)cc12 ZINC000003265066 194256233 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FNBSHXZIKLQZSL-UHFFFAOYSA-N 0 1 494.595 5.218 50 0 JKAAMN COc1ccc(CN(Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C2CC2)cc1 ZINC000036156189 524014931 /nfs/dbraw/zinc/01/49/31/524014931.db2.gz PVFXOFSGGSBXEW-UHFFFAOYSA-N 0 1 451.613 5.860 50 0 JKAAMN CN(C)CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000009151866 524059898 /nfs/dbraw/zinc/05/98/98/524059898.db2.gz CAUGRESKGSZBSQ-UHFFFAOYSA-N 0 1 451.979 5.950 50 0 JKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)CC2)c1 ZINC000008611223 524125350 /nfs/dbraw/zinc/12/53/50/524125350.db2.gz XPCDBNYHSRUWSW-UHFFFAOYSA-N 0 1 496.655 5.172 50 0 JKAAMN Cc1cc(C)cc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)c1 ZINC000033129379 524423503 /nfs/dbraw/zinc/42/35/03/524423503.db2.gz XSEWFURPXUDRAV-UHFFFAOYSA-N 0 1 457.578 5.179 50 0 JKAAMN Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccc(F)cc4)[nH]n(-c4ccccc4C)c3=O)C2=O)cc1 ZINC000016534127 524429924 /nfs/dbraw/zinc/42/99/24/524429924.db2.gz PEUNGCUVGOHDHJ-XYGWBWBKSA-N 0 1 496.542 5.018 50 0 JKAAMN 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Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1 ZINC000008845649 554743411 /nfs/dbraw/zinc/74/34/11/554743411.db2.gz OAOMFECJDXTSAE-UHFFFAOYSA-N 0 1 465.509 5.937 50 0 JKAAMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@@H]1C ZINC000008846648 554745482 /nfs/dbraw/zinc/74/54/82/554745482.db2.gz OWHQBCQPONVLOQ-INIZCTEOSA-N 0 1 471.395 5.650 50 0 JKAAMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@@H]1C ZINC000008846648 554745484 /nfs/dbraw/zinc/74/54/84/554745484.db2.gz OWHQBCQPONVLOQ-INIZCTEOSA-N 0 1 471.395 5.650 50 0 JKAAMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@H]1C ZINC000008846649 554745581 /nfs/dbraw/zinc/74/55/81/554745581.db2.gz OWHQBCQPONVLOQ-MRXNPFEDSA-N 0 1 471.395 5.650 50 0 JKAAMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@H]1C ZINC000008846649 554745582 /nfs/dbraw/zinc/74/55/82/554745582.db2.gz OWHQBCQPONVLOQ-MRXNPFEDSA-N 0 1 471.395 5.650 50 0 JKAAMN Clc1ccc(-c2cc(C3CCN(Cc4c(Cl)cccc4Cl)CC3)[nH]n2)c(Cl)c1 ZINC000008855350 554750998 /nfs/dbraw/zinc/75/09/98/554750998.db2.gz RVCWETXTJRCMRA-UHFFFAOYSA-N 0 1 455.216 7.070 50 0 JKAAMN COc1cc2nc(SCc3ccc(F)cc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008873492 554770224 /nfs/dbraw/zinc/77/02/24/554770224.db2.gz VMBZMIJYTHGCDJ-OAQYLSRUSA-N 0 1 481.593 5.705 50 0 JKAAMN COc1ccc([C@H](CN2C(=O)[C@H](C)S[C@H]2c2ccc(Br)s2)N2CCCC2)cc1 ZINC000008881267 554776444 /nfs/dbraw/zinc/77/64/44/554776444.db2.gz XEJIPRBVPNAAKE-LFRPXUGBSA-N 0 1 481.481 5.319 50 0 JKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000008913775 554806844 /nfs/dbraw/zinc/80/68/44/554806844.db2.gz OLKKJUNANLNWRK-UHFFFAOYSA-N 0 1 467.635 5.102 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCC2)cc1 ZINC000008916984 554811673 /nfs/dbraw/zinc/81/16/73/554811673.db2.gz JTYDAELQQFQSRD-HXUWFJFHSA-N 0 1 457.368 5.079 50 0 JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000008923126 554820447 /nfs/dbraw/zinc/82/04/47/554820447.db2.gz WGXGMUHKXAAJEQ-SANMLTNESA-N 0 1 497.620 6.316 50 0 JKAAMN Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)cc2)cc1 ZINC000008923485 554820591 /nfs/dbraw/zinc/82/05/91/554820591.db2.gz GJMLPEOIEVGGIN-HSZRJFAPSA-N 0 1 461.587 5.471 50 0 JKAAMN COc1cc2nc(SCc3ccccc3C)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925852 554821780 /nfs/dbraw/zinc/82/17/80/554821780.db2.gz HQZOMSQJFBUZLG-QFIPXVFZSA-N 0 1 477.630 5.875 50 0 JKAAMN COc1cc2nc(SCc3cccc(C)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925851 554821786 /nfs/dbraw/zinc/82/17/86/554821786.db2.gz LNBNYCAQIFPBLX-JOCHJYFZSA-N 0 1 477.630 5.875 50 0 JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008927607 554824988 /nfs/dbraw/zinc/82/49/88/554824988.db2.gz ZLVGSVVHGQEJHR-FQEVSTJZSA-N 0 1 461.509 6.222 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008927649 554825188 /nfs/dbraw/zinc/82/51/88/554825188.db2.gz JCQVZUKKULENAM-LJQANCHMSA-N 0 1 458.381 5.578 50 0 JKAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(F)cc1Cl ZINC000008941189 554831744 /nfs/dbraw/zinc/83/17/44/554831744.db2.gz FDDJZRMOXGIBMH-VIFPVBQESA-N 0 1 455.740 5.146 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000008956104 554837016 /nfs/dbraw/zinc/83/70/16/554837016.db2.gz NJZHZXSPPUUDTR-UHFFFAOYSA-N 0 1 451.573 5.275 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)N(C)CC3)OCO2 ZINC000008964462 554838515 /nfs/dbraw/zinc/83/85/15/554838515.db2.gz RXLGJHRPYZIAAS-VSDWSMLSSA-N 0 1 465.634 5.590 50 0 biogenic JKAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000008965902 554841229 /nfs/dbraw/zinc/84/12/29/554841229.db2.gz UOYCOBXDHZJJTO-MRXNPFEDSA-N 0 1 469.592 5.204 50 0 JKAAMN c1ccc2c(c1)CCC[C@@H]2N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000008969045 554843065 /nfs/dbraw/zinc/84/30/65/554843065.db2.gz QIJHRSHWWHXCIW-SVBPBHIXSA-N 0 1 493.607 5.829 50 0 JKAAMN Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)c(Cl)c1 ZINC000009057760 554876924 /nfs/dbraw/zinc/87/69/24/554876924.db2.gz KQLHUXMADLYAHM-UHFFFAOYSA-N 0 1 457.360 8.510 50 0 JKAAMN Cc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000009076027 554887172 /nfs/dbraw/zinc/88/71/72/554887172.db2.gz CVXLMFCXTSELCS-TYDKCCNCSA-N 0 1 497.614 7.014 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009075998 554887205 /nfs/dbraw/zinc/88/72/05/554887205.db2.gz RXXCHODPTODWQX-WAKHXKBOSA-N 0 1 490.559 5.377 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009075998 554887207 /nfs/dbraw/zinc/88/72/07/554887207.db2.gz RXXCHODPTODWQX-WAKHXKBOSA-N 0 1 490.559 5.377 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3cc(C)ccc3C)C[C@@H]21 ZINC000009087596 554889558 /nfs/dbraw/zinc/88/95/58/554889558.db2.gz DVFUTYABNNCWPA-MHZLTWQESA-N 0 1 467.613 5.848 50 0 JKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000009089694 554890492 /nfs/dbraw/zinc/89/04/92/554890492.db2.gz JQGVMZCUNUMEHY-NGAUBYBASA-N 0 1 484.555 5.402 50 0 JKAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)c1 ZINC000009123983 554914731 /nfs/dbraw/zinc/91/47/31/554914731.db2.gz LBLKVMVBUCNZTN-VWLOTQADSA-N 0 1 474.948 5.283 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1CCc1ccccc1 ZINC000009123945 554914737 /nfs/dbraw/zinc/91/47/37/554914737.db2.gz HWFIAZVBBKQXIF-XMMPIXPASA-N 0 1 464.352 5.877 50 0 JKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009124119 554915034 /nfs/dbraw/zinc/91/50/34/554915034.db2.gz AHLZVMICULJXKW-QHCPKHFHSA-N 0 1 489.373 5.302 50 0 JKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009124533 554915931 /nfs/dbraw/zinc/91/59/31/554915931.db2.gz IUKUPHGUXQUYKE-HHHXNRCGSA-N 0 1 498.583 5.337 50 0 JKAAMN COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccccc3F)cc2O)cc1 ZINC000009130659 554930664 /nfs/dbraw/zinc/93/06/64/554930664.db2.gz VLYYVZKNTQVDOI-UHFFFAOYSA-N 0 1 458.411 6.195 50 0 JKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000009158240 554947743 /nfs/dbraw/zinc/94/77/43/554947743.db2.gz XWVYRVUODLHGCT-JVPIYLDOSA-N 0 1 490.603 5.665 50 0 JKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000009193117 554966453 /nfs/dbraw/zinc/96/64/53/554966453.db2.gz YPMQQNQXZRJTNB-UBRKHCEVSA-N 0 1 496.632 5.727 50 0 JKAAMN Brc1ccc(-c2nnc(CSc3nc(-c4ccccc4Br)n[nH]3)o2)cc1 ZINC000009197955 554969311 /nfs/dbraw/zinc/96/93/11/554969311.db2.gz XHNAHPMQUWEQSM-UHFFFAOYSA-N 0 1 493.184 5.339 50 0 JKAAMN O=C(c1ccco1)[C@@H]1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009210735 554980296 /nfs/dbraw/zinc/98/02/96/554980296.db2.gz DIVYKISDVGEKFS-XHHBKWMTSA-N 0 1 492.556 5.197 50 0 JKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009210735 554980299 /nfs/dbraw/zinc/98/02/99/554980299.db2.gz DIVYKISDVGEKFS-XHHBKWMTSA-N 0 1 492.556 5.197 50 0 JKAAMN CC(C)Cn1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c2ccccc2c1=O ZINC000009227633 555000638 /nfs/dbraw/zinc/00/06/38/555000638.db2.gz TTWUBZLMKKPUIH-UHFFFAOYSA-N 0 1 481.040 5.345 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000009233340 555006192 /nfs/dbraw/zinc/00/61/92/555006192.db2.gz BUTKOIZGNNHAIB-SANMLTNESA-N 0 1 453.586 5.539 50 0 JKAAMN Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000009235376 555009529 /nfs/dbraw/zinc/00/95/29/555009529.db2.gz FKPZSVAJAFGRGC-SANMLTNESA-N 0 1 458.005 6.184 50 0 JKAAMN Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000009235379 555009571 /nfs/dbraw/zinc/00/95/71/555009571.db2.gz FKPZSVAJAFGRGC-AREMUKBSSA-N 0 1 458.005 6.184 50 0 JKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009243066 555017908 /nfs/dbraw/zinc/01/79/08/555017908.db2.gz YUGBGLHIYGROSD-AREMUKBSSA-N 0 1 469.541 5.249 50 0 JKAAMN CSc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009243769 555018771 /nfs/dbraw/zinc/01/87/71/555018771.db2.gz GVNQYFGTTJHUNB-DEOSSOPVSA-N 0 1 476.989 5.606 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009266512 555042832 /nfs/dbraw/zinc/04/28/32/555042832.db2.gz FZCSQZJMCFIWPI-QFIPXVFZSA-N 0 1 491.942 5.620 50 0 JKAAMN CCCOc1ccc(-c2nc(CN3CCC(C(=O)Nc4c(C)cccc4CC)CC3)c(C)o2)cc1 ZINC000009274598 555047435 /nfs/dbraw/zinc/04/74/35/555047435.db2.gz LPYIEKFVCYGSAY-UHFFFAOYSA-N 0 1 475.633 6.160 50 0 JKAAMN COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000009282901 555053098 /nfs/dbraw/zinc/05/30/98/555053098.db2.gz ZIUAMMOEFPUOES-UHFFFAOYSA-N 0 1 467.881 5.072 50 0 JKAAMN Cc1cc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)sc2cc1C ZINC000009293322 555068537 /nfs/dbraw/zinc/06/85/37/555068537.db2.gz VJVLMYJOBVEVEX-UHFFFAOYSA-N 0 1 455.536 5.105 50 0 JKAAMN COc1ccc(Cl)c2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc21 ZINC000009325711 555097323 /nfs/dbraw/zinc/09/73/23/555097323.db2.gz JVOKGRNMMKZFKL-UHFFFAOYSA-N 0 1 491.953 5.151 50 0 JKAAMN Cc1nn2c(nc(C)cc2N2CCN(Cc3ccc(C)cc3C)CC2)c1-c1ccc(Cl)cc1 ZINC000009346026 555112587 /nfs/dbraw/zinc/11/25/87/555112587.db2.gz MFHMINUMXQOGJU-UHFFFAOYSA-N 0 1 460.025 5.606 50 0 JKAAMN FC(F)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000009357006 555122226 /nfs/dbraw/zinc/12/22/26/555122226.db2.gz IOGFOCZGSRLWIU-VWLOTQADSA-N 0 1 475.539 5.824 50 0 JKAAMN CC(=O)[C@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009359250 555123058 /nfs/dbraw/zinc/12/30/58/555123058.db2.gz ZHIGVMDVLHQGDB-HQQJGFCBSA-N 0 1 486.930 5.041 50 0 JKAAMN O=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccc(NC(=O)C=Cc4ccco4)cc3[nH]2)cc1 ZINC000009374577 555135947 /nfs/dbraw/zinc/13/59/47/555135947.db2.gz UVFVGMMQAMBWJB-IFQMDVHZSA-N 0 1 464.481 5.720 50 0 JKAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 ZINC000009379817 555141869 /nfs/dbraw/zinc/14/18/69/555141869.db2.gz KENIFDOYWWTFBL-AREMUKBSSA-N 0 1 488.588 5.074 50 0 JKAAMN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)[nH]2)cc1Br ZINC000009380178 555142177 /nfs/dbraw/zinc/14/21/77/555142177.db2.gz ZHDXYRJGAVXVNK-UHFFFAOYSA-N 0 1 463.375 6.807 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(cc4c5c(cccc35)CC4)s2)cc1 ZINC000009404670 555163052 /nfs/dbraw/zinc/16/30/52/555163052.db2.gz CIHQUXBPVARSBW-UHFFFAOYSA-N 0 1 499.617 5.910 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1C[C@@H]1CCCO1 ZINC000009408914 555172008 /nfs/dbraw/zinc/17/20/08/555172008.db2.gz ZQAVNWQPNJZIST-IDISGSTGSA-N 0 1 467.525 5.299 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1C[C@H]1CCCO1 ZINC000009408952 555172027 /nfs/dbraw/zinc/17/20/27/555172027.db2.gz VFIYEWMKCORNQF-DFHRPNOPSA-N 0 1 481.552 5.086 50 0 JKAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009408937 555172074 /nfs/dbraw/zinc/17/20/74/555172074.db2.gz QLFWAAKWEYTHIA-RXFWQSSRSA-N 0 1 461.562 5.076 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1C[C@@H]1CCCO1 ZINC000009408949 555172093 /nfs/dbraw/zinc/17/20/93/555172093.db2.gz VFIYEWMKCORNQF-RBISFHTESA-N 0 1 481.552 5.086 50 0 JKAAMN CCCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408954 555172115 /nfs/dbraw/zinc/17/21/15/555172115.db2.gz MWMBGGLFVPHGLH-FNZWTVRRSA-N 0 1 461.562 5.076 50 0 JKAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000009408996 555172292 /nfs/dbraw/zinc/17/22/92/555172292.db2.gz PRCTYOUIIJAJAO-SANMLTNESA-N 0 1 457.530 5.690 50 0 JKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000009408991 555172329 /nfs/dbraw/zinc/17/23/29/555172329.db2.gz HWLQAXWBHLHDOQ-HHHXNRCGSA-N 0 1 487.556 5.554 50 0 JKAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000009409003 555172522 /nfs/dbraw/zinc/17/25/22/555172522.db2.gz MKOHUVIYFQUPLP-AREMUKBSSA-N 0 1 457.530 5.690 50 0 JKAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009409009 555172591 /nfs/dbraw/zinc/17/25/91/555172591.db2.gz YZQUVEBCYWPTJQ-AREMUKBSSA-N 0 1 473.529 5.308 50 0 JKAAMN CCCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000009409013 555172601 /nfs/dbraw/zinc/17/26/01/555172601.db2.gz YALZOQZOAOZQNF-HHHXNRCGSA-N 0 1 471.557 6.080 50 0 JKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000009409089 555172835 /nfs/dbraw/zinc/17/28/35/555172835.db2.gz XZZSSPYNSUCCSN-HHHXNRCGSA-N 0 1 493.604 5.188 50 0 JKAAMN CCCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000009409134 555173028 /nfs/dbraw/zinc/17/30/28/555173028.db2.gz 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CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OCCC(C)C)c(OCC)c1 ZINC000009409241 555173676 /nfs/dbraw/zinc/17/36/76/555173676.db2.gz ZRLKPKLOBXSLGT-AREMUKBSSA-N 0 1 463.578 5.561 50 0 JKAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCC)cc1OCC ZINC000009409271 555173840 /nfs/dbraw/zinc/17/38/40/555173840.db2.gz HQJLLNYLOQWXGL-HHHXNRCGSA-N 0 1 477.605 6.095 50 0 JKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000009409256 555173857 /nfs/dbraw/zinc/17/38/57/555173857.db2.gz OQQBNTJNHPXEPK-SANMLTNESA-N 0 1 463.578 5.561 50 0 JKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000009427521 555192568 /nfs/dbraw/zinc/19/25/68/555192568.db2.gz LMVBGQWMUPPPGU-QYDYLWNGSA-N 0 1 490.559 5.458 50 0 JKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000009427521 555192571 /nfs/dbraw/zinc/19/25/71/555192571.db2.gz LMVBGQWMUPPPGU-QYDYLWNGSA-N 0 1 490.559 5.458 50 0 JKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000009427523 555192768 /nfs/dbraw/zinc/19/27/68/555192768.db2.gz LMVBGQWMUPPPGU-WAKHXKBOSA-N 0 1 490.559 5.458 50 0 JKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000009427523 555192769 /nfs/dbraw/zinc/19/27/69/555192769.db2.gz LMVBGQWMUPPPGU-WAKHXKBOSA-N 0 1 490.559 5.458 50 0 JKAAMN CC(C)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(Cl)c2Cl)cc1 ZINC000009434177 555205042 /nfs/dbraw/zinc/20/50/42/555205042.db2.gz YSUVQJPXWFRNKY-UHFFFAOYSA-N 0 1 488.400 5.270 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCCCC2)cc1 ZINC000009439604 555209615 /nfs/dbraw/zinc/20/96/15/555209615.db2.gz IKDSORFNKFRDKU-XMMPIXPASA-N 0 1 481.040 5.167 50 0 JKAAMN Cc1ccc2nc(SCC(=O)Nc3c(Br)cc(C)cc3Br)[nH]c2c1 ZINC000009443087 555215787 /nfs/dbraw/zinc/21/57/87/555215787.db2.gz YKSNUZABYJISDB-UHFFFAOYSA-N 0 1 469.202 5.436 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000009444253 555217147 /nfs/dbraw/zinc/21/71/47/555217147.db2.gz MVCCPWXEVWQLGR-UHFFFAOYSA-N 0 1 465.358 5.364 50 0 JKAAMN COc1cc(CNCc2ccc(-c3ccc(Cl)cc3)o2)ccc1OCc1csc(C)n1 ZINC000009464562 555236968 /nfs/dbraw/zinc/23/69/68/555236968.db2.gz XCPDUDNXGGHSHA-UHFFFAOYSA-N 0 1 454.979 6.242 50 0 JKAAMN COc1ccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)cc1Cl ZINC000009465244 555239085 /nfs/dbraw/zinc/23/90/85/555239085.db2.gz YYNHYUDRBYGNRG-GOSISDBHSA-N 0 1 456.980 5.667 50 0 JKAAMN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 ZINC000009491109 555267744 /nfs/dbraw/zinc/26/77/44/555267744.db2.gz NTQLLJCZCAJULP-HXUWFJFHSA-N 0 1 475.599 5.012 50 0 JKAAMN Cc1noc(C)c1CN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC000009507830 555292834 /nfs/dbraw/zinc/29/28/34/555292834.db2.gz UTMDPROIRYLBKZ-UHFFFAOYSA-N 0 1 493.560 5.387 50 0 JKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC)cc1 ZINC000009511943 555301316 /nfs/dbraw/zinc/30/13/16/555301316.db2.gz RRIJEGNSDWWLDK-UHFFFAOYSA-N 0 1 494.491 5.166 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000009512819 555302769 /nfs/dbraw/zinc/30/27/69/555302769.db2.gz RQRWHXWTVCPRHF-UHFFFAOYSA-N 0 1 473.554 5.520 50 0 JKAAMN Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009512827 555302793 /nfs/dbraw/zinc/30/27/93/555302793.db2.gz JALQNAHELWRJGO-UHFFFAOYSA-N 0 1 461.518 5.651 50 0 JKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000009512802 555302844 /nfs/dbraw/zinc/30/28/44/555302844.db2.gz WTJKUAVCCZAGOC-UHFFFAOYSA-N 0 1 489.597 5.809 50 0 JKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3cccs3)n2)cc1 ZINC000009514357 555304853 /nfs/dbraw/zinc/30/48/53/555304853.db2.gz YQHJIHRPCKZVJH-KRWDZBQOSA-N 0 1 465.629 5.373 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000009514539 555305228 /nfs/dbraw/zinc/30/52/28/555305228.db2.gz 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ZINC000013398363 555395242 /nfs/dbraw/zinc/39/52/42/555395242.db2.gz OKWFAIAJKRBMPT-UHFFFAOYSA-N 0 1 453.430 6.494 50 0 JKAAMN COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCc2ccco2)cc1 ZINC000009674132 555399023 /nfs/dbraw/zinc/39/90/23/555399023.db2.gz CNQBIPNZJCXBBV-UHFFFAOYSA-N 0 1 453.951 5.407 50 0 JKAAMN O=C(CSc1[nH]c(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009674105 555399080 /nfs/dbraw/zinc/39/90/80/555399080.db2.gz RHYQFVFIROKEER-GOSISDBHSA-N 0 1 462.402 5.438 50 0 JKAAMN COc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3ccc(F)cc3)[nH]2)cc1OC ZINC000009674235 555399411 /nfs/dbraw/zinc/39/94/11/555399411.db2.gz CAWBVGJPPBWEDX-UHFFFAOYSA-N 0 1 463.534 5.631 50 0 JKAAMN COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009674209 555399462 /nfs/dbraw/zinc/39/94/62/555399462.db2.gz CENUQOSIZNMPSX-UHFFFAOYSA-N 0 1 477.517 5.351 50 0 JKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009679536 555406188 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CC(C)(C)c1cc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc(C(C)(C)C)c1O ZINC000013533985 555488408 /nfs/dbraw/zinc/48/84/08/555488408.db2.gz PNDVTBORBAODHV-UHFFFAOYSA-N 0 1 493.478 9.018 50 0 JKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc(Cl)cc3Cl)c2c1 ZINC000013550688 555491614 /nfs/dbraw/zinc/49/16/14/555491614.db2.gz HPJHBNIIVHKESP-JOCHJYFZSA-N 0 1 455.345 5.303 50 0 JKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000009778247 555496781 /nfs/dbraw/zinc/49/67/81/555496781.db2.gz CBTBEESYMVPBBR-RPBOFIJWSA-N 0 1 472.516 5.066 50 0 JKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000009778155 555496833 /nfs/dbraw/zinc/49/68/33/555496833.db2.gz KSXNLDYBDIHAKQ-IZZNHLLZSA-N 0 1 468.553 5.235 50 0 JKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000009778149 555496863 /nfs/dbraw/zinc/49/68/63/555496863.db2.gz KSXNLDYBDIHAKQ-UIOOFZCWSA-N 0 1 468.553 5.235 50 0 JKAAMN 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ZINC000019880726 555525965 /nfs/dbraw/zinc/52/59/65/555525965.db2.gz YWGLFTSQQASXSC-RUZDIDTESA-N 0 1 463.647 5.298 50 0 JKAAMN Clc1cccc(-c2nc(-c3cccc(I)c3)[nH]c2-c2ccccc2)c1Cl ZINC000013598101 555529712 /nfs/dbraw/zinc/52/97/12/555529712.db2.gz SFEIVBASPJUADZ-UHFFFAOYSA-N 0 1 491.159 7.322 50 0 JKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4C(F)(F)F)CC3)ccc21 ZINC000019900188 555535334 /nfs/dbraw/zinc/53/53/34/555535334.db2.gz RHHSHWCCDKCWPR-UHFFFAOYSA-N 0 1 451.536 6.151 50 0 JKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1cccc(OCc2ccccc2)c1 ZINC000009846070 555545696 /nfs/dbraw/zinc/54/56/96/555545696.db2.gz GZFQJGGUOITZFG-UHFFFAOYSA-N 0 1 455.602 6.940 50 0 JKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000013648320 555552662 /nfs/dbraw/zinc/55/26/62/555552662.db2.gz COTZMDSNSBKJSY-DSNGMDLFSA-N 0 1 489.358 6.198 50 0 JKAAMN COc1cccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)c1 ZINC000013660529 555556256 /nfs/dbraw/zinc/55/62/56/555556256.db2.gz 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ZINC000020059910 555622866 /nfs/dbraw/zinc/62/28/66/555622866.db2.gz GUDGLFWWZBGRSZ-UHFFFAOYSA-N 0 1 460.537 6.381 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013817237 555629695 /nfs/dbraw/zinc/62/96/95/555629695.db2.gz GQVFPCNAVXFGKO-QFIPXVFZSA-N 0 1 491.942 5.620 50 0 JKAAMN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3nc4ccc(OC)cc4[nH]3)cc2)cc1 ZINC000020096335 555632266 /nfs/dbraw/zinc/63/22/66/555632266.db2.gz SLXQUJUWAGUTLI-UHFFFAOYSA-N 0 1 461.543 5.293 50 0 JKAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)[C@H](c4ccccc4)C4CCCC4)ccc3n2)CC1 ZINC000020108623 555643822 /nfs/dbraw/zinc/64/38/22/555643822.db2.gz XUXJPBMTZZLRHL-MUUNZHRXSA-N 0 1 456.634 5.598 50 0 JKAAMN CCN(CC)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014092633 555685243 /nfs/dbraw/zinc/68/52/43/555685243.db2.gz OTQSTMSWQWIBTM-MUUNZHRXSA-N 0 1 477.612 5.559 50 0 JKAAMN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014095126 555687696 /nfs/dbraw/zinc/68/76/96/555687696.db2.gz TWYOVEKATKSKIA-OSPHWJPCSA-N 0 1 453.380 5.014 50 0 JKAAMN CCOc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1OC ZINC000020182350 555689948 /nfs/dbraw/zinc/68/99/48/555689948.db2.gz PFXCGIJKPAUBDL-UHFFFAOYSA-N 0 1 466.588 5.338 50 0 JKAAMN Cc1ccc(-c2csc3[nH]c(CN[C@@H](c4ccc5c(c4)OCCO5)C(C)C)nc(=O)c23)s1 ZINC000014123985 555695647 /nfs/dbraw/zinc/69/56/47/555695647.db2.gz GBFLHRYFSYTYHO-JOCHJYFZSA-N 0 1 467.616 5.280 50 0 JKAAMN COc1ccc([C@@H](CC(=O)NCCc2ccccc2)Sc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000010381810 555701942 /nfs/dbraw/zinc/70/19/42/555701942.db2.gz MBQWGXJUBVNSAR-HSZRJFAPSA-N 0 1 458.587 5.063 50 0 JKAAMN COc1ccc([C@H](CC(=O)NCCc2ccccc2)Sc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000010381812 555701976 /nfs/dbraw/zinc/70/19/76/555701976.db2.gz MBQWGXJUBVNSAR-QHCPKHFHSA-N 0 1 458.587 5.063 50 0 JKAAMN Clc1ccccc1CNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474123 555718525 /nfs/dbraw/zinc/71/85/25/555718525.db2.gz FSWOTWHVZFKASL-UHFFFAOYSA-N 0 1 495.642 6.734 50 0 JKAAMN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)N1CCN(C2CCCCC2)CC1 ZINC000020239256 555733422 /nfs/dbraw/zinc/73/34/22/555733422.db2.gz ZQWWVYMWIONGFN-UHFFFAOYSA-N 0 1 458.071 5.336 50 0 JKAAMN CCCCn1c(=S)n(CN2CCC[C@@H]2c2cc(OC)ccc2OC)nc1[C@@H](CC)N(C)C ZINC000014229695 555736647 /nfs/dbraw/zinc/73/66/47/555736647.db2.gz RGMISIFYKJPALE-NHCUHLMSSA-N 0 1 461.676 5.039 50 0 JKAAMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)[nH]c2c1 ZINC000010732666 555736716 /nfs/dbraw/zinc/73/67/16/555736716.db2.gz GYKTYIQCKYGRMD-INIZCTEOSA-N 0 1 490.585 5.342 50 0 JKAAMN O=C(c1cc2cc(C3(O)CCN(Cc4ccoc4)CC3)ccc2o1)N1CCC[C@H](c2ccccc2)CC1 ZINC000020271649 555748921 /nfs/dbraw/zinc/74/89/21/555748921.db2.gz FOKFSGPNGGAWGJ-VWLOTQADSA-N 0 1 498.623 5.919 50 0 JKAAMN Cc1ccc2nc(Cl)c3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)sc3c2c1 ZINC000020321498 555770446 /nfs/dbraw/zinc/77/04/46/555770446.db2.gz VOKDIAFYJMZNLR-UHFFFAOYSA-N 0 1 450.995 5.415 50 0 JKAAMN COc1cc2ccccc2cc1C(=O)N(CCN(C)C)c1nc2ccc(Br)cc2s1 ZINC000011612414 555789866 /nfs/dbraw/zinc/78/98/66/555789866.db2.gz YDEYRVUBORFZKL-UHFFFAOYSA-N 0 1 484.419 5.429 50 0 JKAAMN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C(C)C)c1 ZINC000020550069 555806998 /nfs/dbraw/zinc/80/69/98/555806998.db2.gz CTESWISLCPKUNU-UHFFFAOYSA-N 0 1 486.766 6.332 50 0 JKAAMN CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1 ZINC000011784904 555816947 /nfs/dbraw/zinc/81/69/47/555816947.db2.gz YOIHUSBZFONAMM-NDEPHWFRSA-N 0 1 489.019 5.042 50 0 JKAAMN Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccccn4)CN3CCCc3ccccc3)ccc2s1 ZINC000011787200 555820967 /nfs/dbraw/zinc/82/09/67/555820967.db2.gz SMOSRRJDKIHZIV-VWNXMTODSA-N 0 1 488.682 5.806 50 0 JKAAMN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000011787495 555821660 /nfs/dbraw/zinc/82/16/60/555821660.db2.gz WAQYIPMPBHZVFP-IRPSRAIASA-N 0 1 484.575 5.190 50 0 JKAAMN Cc1cc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)ccc1Br ZINC000020574580 555829098 /nfs/dbraw/zinc/82/90/98/555829098.db2.gz IPVYKRNWKGXFGP-UHFFFAOYSA-N 0 1 468.399 5.010 50 0 JKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000020594968 555838668 /nfs/dbraw/zinc/83/86/68/555838668.db2.gz DQUHEBRKZDRKQW-UHFFFAOYSA-N 0 1 469.029 5.883 50 0 JKAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000014897854 555840941 /nfs/dbraw/zinc/84/09/41/555840941.db2.gz OGCDFRKLRWZFMB-BBKFTCMMSA-N 0 1 472.589 5.824 50 0 JKAAMN O=C(CC1CCCC1)N1CCC[C@@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000014998484 555842876 /nfs/dbraw/zinc/84/28/76/555842876.db2.gz VVJITDCEMPBRTE-HHHXNRCGSA-N 0 1 475.677 5.207 50 0 JKAAMN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(-c2ccccc2)cc1 ZINC000014998504 555842978 /nfs/dbraw/zinc/84/29/78/555842978.db2.gz SEDYNSJSNYAPMV-OZXSUGGESA-N 0 1 470.642 5.490 50 0 JKAAMN CCN(CCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1)c1cccc(C)c1 ZINC000020644742 555846457 /nfs/dbraw/zinc/84/64/57/555846457.db2.gz RVPKZXGFCOLVTP-UHFFFAOYSA-N 0 1 492.689 5.207 50 0 JKAAMN COc1cccc(C[C@@H](C2CCN(Cc3ccc(F)c(OC)c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000015001507 555846471 /nfs/dbraw/zinc/84/64/71/555846471.db2.gz OOPKDMCRNCIXME-VWLOTQADSA-N 0 1 480.580 5.031 50 0 JKAAMN O=C(NCc1ccccc1)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000022011473 555861577 /nfs/dbraw/zinc/86/15/77/555861577.db2.gz BZDOERMTSNCGAO-MHZLTWQESA-N 0 1 451.570 5.120 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccccc3)[nH]n2)c(O)c1C ZINC000011913910 555864062 /nfs/dbraw/zinc/86/40/62/555864062.db2.gz QBEVPLLRZVJYJG-UHFFFAOYSA-N 0 1 466.497 5.650 50 0 JKAAMN Nc1c(-c2ccccc2)c(CN2CCN(Cc3ccccc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000022037836 555865246 /nfs/dbraw/zinc/86/52/46/555865246.db2.gz ZLXOOKWHVYPQQO-UHFFFAOYSA-N 0 1 458.009 5.093 50 0 JKAAMN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 ZINC000011915824 555867163 /nfs/dbraw/zinc/86/71/63/555867163.db2.gz UYLFUBOUMYPYFR-UHFFFAOYSA-N 0 1 457.873 6.246 50 0 JKAAMN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000011916205 555867255 /nfs/dbraw/zinc/86/72/55/555867255.db2.gz BMNKRORXHKUERH-UHFFFAOYSA-N 0 1 487.899 6.254 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCCC2)cc1 ZINC000011916630 555867630 /nfs/dbraw/zinc/86/76/30/555867630.db2.gz MDVINCJRPZXKAQ-HSZRJFAPSA-N 0 1 454.998 6.059 50 0 JKAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1 ZINC000022100980 555873928 /nfs/dbraw/zinc/87/39/28/555873928.db2.gz DJSIPFPVJUXPQC-UHFFFAOYSA-N 0 1 498.630 5.109 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1C ZINC000015094236 555876338 /nfs/dbraw/zinc/87/63/38/555876338.db2.gz CVTDKGJXSQTTEL-QGZVFWFLSA-N 0 1 495.626 5.247 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1C ZINC000015094235 555876357 /nfs/dbraw/zinc/87/63/57/555876357.db2.gz CVTDKGJXSQTTEL-KRWDZBQOSA-N 0 1 495.626 5.247 50 0 JKAAMN COc1cc(CN2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1F ZINC000012037179 555890458 /nfs/dbraw/zinc/89/04/58/555890458.db2.gz JTDSMVVARPYUJI-AREMUKBSSA-N 0 1 476.592 5.555 50 0 JKAAMN COc1ccc(OC)c(CN2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037602 555890653 /nfs/dbraw/zinc/89/06/53/555890653.db2.gz SXBIDSNZTIRJRA-VWLOTQADSA-N 0 1 497.035 5.546 50 0 JKAAMN COc1ccc(-c2csc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1OC ZINC000015304474 555894342 /nfs/dbraw/zinc/89/43/42/555894342.db2.gz RZTXDFWQZARWIC-UHFFFAOYSA-N 0 1 471.626 5.739 50 0 JKAAMN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2O)n[nH]1 ZINC000012062606 555900194 /nfs/dbraw/zinc/90/01/94/555900194.db2.gz PWBCWKZCUNGAER-UHFFFAOYSA-N 0 1 472.888 5.687 50 0 JKAAMN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000012131523 555912007 /nfs/dbraw/zinc/91/20/07/555912007.db2.gz DYHNGDDSLZVZMF-QHCPKHFHSA-N 0 1 480.992 5.257 50 0 JKAAMN CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140846 555919664 /nfs/dbraw/zinc/91/96/64/555919664.db2.gz XSHOPBIIEASZLP-UHFFFAOYSA-N 0 1 474.424 5.250 50 0 JKAAMN COc1ccc(CCN(C(=O)c2cc(Cl)cc(Cl)c2)C2=C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000015659086 555922448 /nfs/dbraw/zinc/92/24/48/555922448.db2.gz HKTDLPMNCCBFCN-RTWAWAEBSA-N 0 1 475.416 5.446 50 0 JKAAMN Cc1nc(N2N=C(C)C(CCC(C)C)C2=O)sc1C(=O)Nc1ccc(Br)cc1 ZINC000015671528 555928597 /nfs/dbraw/zinc/92/85/97/555928597.db2.gz ONMRLGOFTLIUOV-UHFFFAOYSA-N 0 1 463.401 5.255 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000022917749 555971408 /nfs/dbraw/zinc/97/14/08/555971408.db2.gz NTVHQRUNNGROJZ-UHFFFAOYSA-N 0 1 454.401 5.339 50 0 JKAAMN C[C@@](CNC(c1ccccc1)c1ccccc1)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012383516 555971484 /nfs/dbraw/zinc/97/14/84/555971484.db2.gz ZAJOSUSKKUEFRA-NDEPHWFRSA-N 0 1 456.611 5.260 50 0 JKAAMN Cc1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Br)c1 ZINC000022938733 555992377 /nfs/dbraw/zinc/99/23/77/555992377.db2.gz XIJGRPBSAAYUCZ-UHFFFAOYSA-N 0 1 478.434 5.103 50 0 JKAAMN CC(C)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000022997128 555996676 /nfs/dbraw/zinc/99/66/76/555996676.db2.gz ZEUUJRFQLVULCM-UHFFFAOYSA-N 0 1 465.619 6.112 50 0 JKAAMN CCOc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)[nH]c2c1 ZINC000012529582 555999476 /nfs/dbraw/zinc/99/94/76/555999476.db2.gz DQDVFRCRGALRDB-UHFFFAOYSA-N 0 1 453.951 6.138 50 0 JKAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3ccc(OCC)cc3[nH]1)C[C@H](C)CC2 ZINC000012530053 555999977 /nfs/dbraw/zinc/99/99/77/555999977.db2.gz CGNHRYGJDDIOMC-ZIAGYGMSSA-N 0 1 487.647 5.444 50 0 JKAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(=O)c4c(-c5cccs5)csc4[nH]3)n2)cc1 ZINC000023040004 556001073 /nfs/dbraw/zinc/00/10/73/556001073.db2.gz SUHZRZABHPURSU-LBPRGKRZSA-N 0 1 465.629 5.914 50 0 JKAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(C2CCCCC2)cc1 ZINC000012532472 556002867 /nfs/dbraw/zinc/00/28/67/556002867.db2.gz VTJJRBMXVKWARI-UHFFFAOYSA-N 0 1 450.486 5.135 50 0 JKAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000012532833 556004022 /nfs/dbraw/zinc/00/40/22/556004022.db2.gz FMWHVZGMXABVBS-UHFFFAOYSA-N 0 1 471.992 5.197 50 0 JKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)ccc2Cl)cc1 ZINC000012534956 556007316 /nfs/dbraw/zinc/00/73/16/556007316.db2.gz MOSAOPGCFWKBLM-UHFFFAOYSA-N 0 1 496.976 5.182 50 0 JKAAMN CC(C)N1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000023109505 556010324 /nfs/dbraw/zinc/01/03/24/556010324.db2.gz FJMFZNQNPPTLBL-UHFFFAOYSA-N 0 1 473.623 6.790 50 0 JKAAMN Cc1[nH]c(SCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)nc1Cc1ccccc1 ZINC000012538563 556011848 /nfs/dbraw/zinc/01/18/48/556011848.db2.gz LDRZVHWTULDTCJ-UHFFFAOYSA-N 0 1 472.618 5.025 50 0 JKAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(CC)cc4)[nH]c(=O)c3sc2=S)cc1 ZINC000023118958 556012555 /nfs/dbraw/zinc/01/25/55/556012555.db2.gz PQRNNHHFRCPWND-UHFFFAOYSA-N 0 1 498.655 5.197 50 0 JKAAMN O=C(CSc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012541246 556015300 /nfs/dbraw/zinc/01/53/00/556015300.db2.gz KZMVSYVDLVPGEX-QHCPKHFHSA-N 0 1 499.514 5.351 50 0 JKAAMN CCN(C(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)c1cccc2ccccc21 ZINC000012542371 556017438 /nfs/dbraw/zinc/01/74/38/556017438.db2.gz WQPVDOGYFFTJCX-UHFFFAOYSA-N 0 1 457.386 6.077 50 0 JKAAMN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012548182 556025721 /nfs/dbraw/zinc/02/57/21/556025721.db2.gz YOJOEOZZUNYSNE-DVECYGJZSA-N 0 1 492.501 5.379 50 0 JKAAMN Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000023182371 556028397 /nfs/dbraw/zinc/02/83/97/556028397.db2.gz KLRYYPFPEJKYTF-RDPSFJRHSA-N 0 1 450.677 5.295 50 0 JKAAMN COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCC(C)CC2)c1OC ZINC000015859360 556029429 /nfs/dbraw/zinc/02/94/29/556029429.db2.gz HMJMROVORHCBJP-VWLOTQADSA-N 0 1 474.557 6.117 50 0 JKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cccs1 ZINC000015859383 556029649 /nfs/dbraw/zinc/02/96/49/556029649.db2.gz PUMGIFQUOQHLFI-HSZRJFAPSA-N 0 1 450.991 6.975 50 0 JKAAMN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000015859402 556029772 /nfs/dbraw/zinc/02/97/72/556029772.db2.gz OYNAYCQHXPMWAY-XMMPIXPASA-N 0 1 465.018 7.221 50 0 JKAAMN COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCCCC2)c1 ZINC000015859556 556030458 /nfs/dbraw/zinc/03/04/58/556030458.db2.gz RSUSGNKIPBYAPE-MHZLTWQESA-N 0 1 470.569 6.278 50 0 JKAAMN O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023224669 556032542 /nfs/dbraw/zinc/03/25/42/556032542.db2.gz BABYPAJKOFFITR-ZVXGGRIQSA-N 0 1 481.080 5.370 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4cccc(Cl)c4)cc3C)s2)cc1 ZINC000015862015 556034521 /nfs/dbraw/zinc/03/45/21/556034521.db2.gz HLTIEQCTHAJIRD-UHFFFAOYSA-N 0 1 471.991 5.620 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4cccc(F)c4)cc3C)s2)cc1 ZINC000015862062 556034714 /nfs/dbraw/zinc/03/47/14/556034714.db2.gz GYFDXYMTQKPHOU-UHFFFAOYSA-N 0 1 455.536 5.105 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)CSc4ccccc4)cc3C)s2)cc1 ZINC000015862050 556034773 /nfs/dbraw/zinc/03/47/73/556034773.db2.gz HMTDSSCNAYXMIT-UHFFFAOYSA-N 0 1 483.640 5.445 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4ccc(F)c(Cl)c4)cc3C)s2)cc1 ZINC000015862065 556034838 /nfs/dbraw/zinc/03/48/38/556034838.db2.gz SWFWNUWJVXCTRO-UHFFFAOYSA-N 0 1 489.981 5.759 50 0 JKAAMN CCOc1cc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc(OCC)c1OCC ZINC000015863875 556038541 /nfs/dbraw/zinc/03/85/41/556038541.db2.gz FJXBWDPSFLIEAM-UHFFFAOYSA-N 0 1 473.573 5.797 50 0 JKAAMN O=C(CCn1c2ccccc2nc1C1CCCCC1)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863882 556038598 /nfs/dbraw/zinc/03/85/98/556038598.db2.gz LOFQMPGNNYIXNA-UHFFFAOYSA-N 0 1 491.639 6.774 50 0 JKAAMN Cc1ccccc1CSCc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)o1 ZINC000015863900 556038629 /nfs/dbraw/zinc/03/86/29/556038629.db2.gz UUIBAFYUOQKKLG-UHFFFAOYSA-N 0 1 481.621 6.935 50 0 JKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(OC)c(OC)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864870 556040907 /nfs/dbraw/zinc/04/09/07/556040907.db2.gz YBMXGJFTUABKBS-MHZLTWQESA-N 0 1 488.653 6.747 50 0 JKAAMN CCN1CCN([P@](=Nc2ccccc2Cl)(c2c(C)cn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559152 556049649 /nfs/dbraw/zinc/04/96/49/556049649.db2.gz QABVASJZRRORDZ-UUWRZZSWSA-N 0 1 497.067 7.257 50 0 JKAAMN CCn1c(CCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2)nc2ccccc21 ZINC000015870600 556050588 /nfs/dbraw/zinc/05/05/88/556050588.db2.gz ZDQJOFIUIAFUGY-UHFFFAOYSA-N 0 1 469.994 5.304 50 0 JKAAMN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023455596 556068441 /nfs/dbraw/zinc/06/84/41/556068441.db2.gz KADUTPCOBDSXJC-UHFFFAOYSA-N 0 1 470.787 6.676 50 0 JKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3)n[nH]c1-2 ZINC000023456163 556069060 /nfs/dbraw/zinc/06/90/60/556069060.db2.gz DQKYQWPUCVEMAE-LJQANCHMSA-N 0 1 451.570 5.602 50 0 JKAAMN O=C(NCc1ccccc1Cl)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023456381 556069142 /nfs/dbraw/zinc/06/91/42/556069142.db2.gz WODLIUMHOXTRCQ-UHFFFAOYSA-N 0 1 455.867 6.346 50 0 JKAAMN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)c1 ZINC000023456563 556069338 /nfs/dbraw/zinc/06/93/38/556069338.db2.gz FMMJADQHWIDQEG-UHFFFAOYSA-N 0 1 465.475 5.744 50 0 biogenic JKAAMN O=C(NCc1cccc(F)c1F)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023457439 556069754 /nfs/dbraw/zinc/06/97/54/556069754.db2.gz BCOJRYMJMKPJGP-UHFFFAOYSA-N 0 1 458.295 6.259 50 0 JKAAMN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)cc1 ZINC000023459152 556071004 /nfs/dbraw/zinc/07/10/04/556071004.db2.gz MYZQWTOUTPTSKX-HNNXBMFYSA-N 0 1 466.368 6.550 50 0 JKAAMN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023461093 556072100 /nfs/dbraw/zinc/07/21/00/556072100.db2.gz DBHCNDPTVBLDQH-QHCPKHFHSA-N 0 1 462.380 6.858 50 0 JKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc2c(s1)CCC2 ZINC000012583298 556080921 /nfs/dbraw/zinc/08/09/21/556080921.db2.gz SWKBFVDQDNPMQX-UHFFFAOYSA-N 0 1 467.399 5.597 50 0 JKAAMN COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCC2 ZINC000015946675 556083202 /nfs/dbraw/zinc/08/32/02/556083202.db2.gz QDRFMTBYEMZLJM-OAHLLOKOSA-N 0 1 484.021 5.440 50 0 JKAAMN COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCC2 ZINC000015946673 556083405 /nfs/dbraw/zinc/08/34/05/556083405.db2.gz QDRFMTBYEMZLJM-HNNXBMFYSA-N 0 1 484.021 5.440 50 0 JKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OC(=O)c1cccs1 ZINC000015947168 556084732 /nfs/dbraw/zinc/08/47/32/556084732.db2.gz BWHKWWNPGCSAEM-OAQYLSRUSA-N 0 1 483.615 5.234 50 0 JKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OCc1ccccc1 ZINC000015947291 556085127 /nfs/dbraw/zinc/08/51/27/556085127.db2.gz DKYNPNXHSUEAQS-XMMPIXPASA-N 0 1 463.603 5.533 50 0 JKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947293 556085180 /nfs/dbraw/zinc/08/51/80/556085180.db2.gz NHBMDTCNQJCHEH-QFIPXVFZSA-N 0 1 498.446 5.897 50 0 JKAAMN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OCc1ccccc1 ZINC000015947289 556085277 /nfs/dbraw/zinc/08/52/77/556085277.db2.gz DKYNPNXHSUEAQS-DEOSSOPVSA-N 0 1 463.603 5.533 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000012616306 556091324 /nfs/dbraw/zinc/09/13/24/556091324.db2.gz FZRVKCATJZPDPP-UHFFFAOYSA-N 0 1 492.519 5.095 50 0 JKAAMN CC[C@@H](c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1Cc1ccccc1)N(C)C ZINC000023845276 556091412 /nfs/dbraw/zinc/09/14/12/556091412.db2.gz IYASERTVCKZGKG-NRFANRHFSA-N 0 1 477.600 5.583 50 0 JKAAMN CCOc1ccc(NS(=O)(=O)c2cc(Nc3ncnc4sc5c(c43)CCC5)ccc2OC)cc1 ZINC000012643664 556096756 /nfs/dbraw/zinc/09/67/56/556096756.db2.gz LHUMGMPCAQGIAV-UHFFFAOYSA-N 0 1 496.614 5.132 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N1CCCCC1 ZINC000015980451 556099261 /nfs/dbraw/zinc/09/92/61/556099261.db2.gz GSUFLLTUAMIILB-WYMLVPIESA-N 0 1 497.642 5.200 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)N(C)CC3)OCO2 ZINC000012660125 556100777 /nfs/dbraw/zinc/10/07/77/556100777.db2.gz XVPULKCGCVRRPV-XZOQPEGZSA-N 0 1 465.634 5.598 50 0 biogenic JKAAMN CC[C@H](NCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000012796570 556113679 /nfs/dbraw/zinc/11/36/79/556113679.db2.gz GWHHJTAIJCDNHE-IBGZPJMESA-N 0 1 482.447 6.272 50 0 JKAAMN COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000012883706 556124029 /nfs/dbraw/zinc/12/40/29/556124029.db2.gz DIZRVTJKTGQHJC-FDQHHTESSA-N 0 1 479.617 5.613 50 0 biogenic JKAAMN CCCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 ZINC000024193188 556126306 /nfs/dbraw/zinc/12/63/06/556126306.db2.gz VKBBGJMHCVSPOI-XMMPIXPASA-N 0 1 477.582 5.505 50 0 JKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OCCC(C)C)c2)cc1 ZINC000024193214 556126615 /nfs/dbraw/zinc/12/66/15/556126615.db2.gz BIYHDEWEHDOGHK-VWLOTQADSA-N 0 1 491.609 5.751 50 0 JKAAMN Cc1sc2nc(CSc3ccccc3)nc(NCc3ccc(N4CCN(C)CC4)nc3)c2c1C ZINC000012916895 556136075 /nfs/dbraw/zinc/13/60/75/556136075.db2.gz OOQCXYNGAKWJGO-UHFFFAOYSA-N 0 1 490.702 5.359 50 0 JKAAMN Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4C)[nH]n(-c4ccccc4C)c3=O)C2=O)cc1 ZINC000016534129 556142436 /nfs/dbraw/zinc/14/24/36/556142436.db2.gz DFBMCFBDGXLIDU-ONUIUJJFSA-N 0 1 492.579 5.187 50 0 JKAAMN O=C(Nc1ccccc1O)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000024835816 556159053 /nfs/dbraw/zinc/15/90/53/556159053.db2.gz AQHYOUSFTNMSQR-SANMLTNESA-N 0 1 453.542 5.148 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SCc1ccccc1Cl)=N2 ZINC000012951582 556160477 /nfs/dbraw/zinc/16/04/77/556160477.db2.gz NAJYYYPUHNROAJ-OAQYLSRUSA-N 0 1 492.000 5.492 50 0 JKAAMN COc1cc(CNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc(OC)c1 ZINC000025143124 556182249 /nfs/dbraw/zinc/18/22/49/556182249.db2.gz AHJBZJUTTMSVPE-UHFFFAOYSA-N 0 1 481.474 5.710 50 0 JKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1)c1cccc2ccccc21 ZINC000025151366 556192099 /nfs/dbraw/zinc/19/20/99/556192099.db2.gz KFBWLCLMGGYLCW-SFHVURJKSA-N 0 1 451.957 7.041 50 0 JKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1)c1cccc2ccccc21 ZINC000025151362 556192105 /nfs/dbraw/zinc/19/21/05/556192105.db2.gz KFBWLCLMGGYLCW-GOSISDBHSA-N 0 1 451.957 7.041 50 0 JKAAMN O=c1[nH]c(CSc2n[nH]c(CC3CCCC3)n2)nc2c(Br)cc(Br)cc12 ZINC000013001971 556195012 /nfs/dbraw/zinc/19/50/12/556195012.db2.gz FQRXCIDUJQLNBP-UHFFFAOYSA-N 0 1 499.232 5.004 50 0 JKAAMN O=c1[nH]c(CSc2nc(CC3CCCC3)n[nH]2)nc2c(Br)cc(Br)cc12 ZINC000013001971 556195016 /nfs/dbraw/zinc/19/50/16/556195016.db2.gz FQRXCIDUJQLNBP-UHFFFAOYSA-N 0 1 499.232 5.004 50 0 JKAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 ZINC000017042858 556209460 /nfs/dbraw/zinc/20/94/60/556209460.db2.gz BRPBCNCUXSLVOS-UHFFFAOYSA-N 0 1 489.601 5.698 50 0 JKAAMN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)n2)cc1 ZINC000017042907 556209706 /nfs/dbraw/zinc/20/97/06/556209706.db2.gz NTNHCPHEARKPOS-UHFFFAOYSA-N 0 1 463.538 5.521 50 0 JKAAMN COc1cc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461342 556217093 /nfs/dbraw/zinc/21/70/93/556217093.db2.gz STSQQIFVGFWTEQ-MHECFPHRSA-N 0 1 483.395 6.325 50 0 JKAAMN COC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 ZINC000017113396 556218398 /nfs/dbraw/zinc/21/83/98/556218398.db2.gz NDSUTPIOOPBLTQ-UHFFFAOYSA-N 0 1 491.638 5.830 50 0 JKAAMN Cc1ccc(N2CCN(CCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1Cl ZINC000025691830 556229894 /nfs/dbraw/zinc/22/98/94/556229894.db2.gz CKSDKVQVVABRPI-UHFFFAOYSA-N 0 1 457.102 6.953 50 0 JKAAMN C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CCN(Cc5ccccc5)CC4)c23)C1 ZINC000013038855 556238136 /nfs/dbraw/zinc/23/81/36/556238136.db2.gz AUIXMVPUBUFUPM-LJQANCHMSA-N 0 1 455.631 5.200 50 0 JKAAMN O=C(NCc1cccs1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC000013039121 556239162 /nfs/dbraw/zinc/23/91/62/556239162.db2.gz KONFWNWNOYPGNK-UHFFFAOYSA-N 0 1 475.806 5.439 50 0 JKAAMN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)ccc1NC(C)=O ZINC000013040046 556242317 /nfs/dbraw/zinc/24/23/17/556242317.db2.gz MGMKYTXASLFCRY-UHFFFAOYSA-N 0 1 460.939 5.209 50 0 JKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000017287565 556251162 /nfs/dbraw/zinc/25/11/62/556251162.db2.gz BFSYKGZZRBYUMA-UHFFFAOYSA-N 0 1 493.579 5.794 50 0 JKAAMN CCN1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(SC(F)F)cc3)n2)CC1 ZINC000017288703 556251385 /nfs/dbraw/zinc/25/13/85/556251385.db2.gz SJCLZHRROCMWMM-UHFFFAOYSA-N 0 1 481.576 5.016 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000017721730 556264585 /nfs/dbraw/zinc/26/45/85/556264585.db2.gz MEHNVWVGHSGVRX-SMIHKQSGSA-N 0 1 460.961 5.689 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017721730 556264586 /nfs/dbraw/zinc/26/45/86/556264586.db2.gz MEHNVWVGHSGVRX-SMIHKQSGSA-N 0 1 460.961 5.689 50 0 JKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013068508 556264683 /nfs/dbraw/zinc/26/46/83/556264683.db2.gz UVMULAKVONHDFI-UHFFFAOYSA-N 0 1 460.411 6.752 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017967218 556273279 /nfs/dbraw/zinc/27/32/79/556273279.db2.gz RHKJBKFWHYYCKC-PFBJBMPXSA-N 0 1 486.568 5.315 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000017967218 556273280 /nfs/dbraw/zinc/27/32/80/556273280.db2.gz RHKJBKFWHYYCKC-PFBJBMPXSA-N 0 1 486.568 5.315 50 0 JKAAMN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)ccc1NC(C)=O ZINC000013073543 556273384 /nfs/dbraw/zinc/27/33/84/556273384.db2.gz GCTUVFBNNGFXOR-UHFFFAOYSA-N 0 1 460.939 5.209 50 0 JKAAMN CSc1ccc2c(c1)N(C(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1S2 ZINC000013074168 556274911 /nfs/dbraw/zinc/27/49/11/556274911.db2.gz KKCHAGPWKGJCTK-CQSZACIVSA-N 0 1 475.466 7.195 50 0 JKAAMN O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CCCC2)c1)c1cc(F)ccc1O ZINC000013097520 556294257 /nfs/dbraw/zinc/29/42/57/556294257.db2.gz PGSBAWZBKYXKHT-UHFFFAOYSA-N 0 1 451.885 6.049 50 0 JKAAMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000027574953 556299639 /nfs/dbraw/zinc/29/96/39/556299639.db2.gz VDTNBWITWDXXER-KRWDZBQOSA-N 0 1 457.621 5.166 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)cc3)no2)cc1 ZINC000027580040 556299915 /nfs/dbraw/zinc/29/99/15/556299915.db2.gz SPPNUMGSFPSMMQ-UHFFFAOYSA-N 0 1 466.493 6.278 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)no2)cc1 ZINC000027579965 556299966 /nfs/dbraw/zinc/29/99/66/556299966.db2.gz BXUPOWVYZXEKPL-UHFFFAOYSA-N 0 1 452.466 5.970 50 0 JKAAMN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1Cl ZINC000027580432 556300227 /nfs/dbraw/zinc/30/02/27/556300227.db2.gz RVXAAVCKQLHVNE-UHFFFAOYSA-N 0 1 472.884 6.233 50 0 JKAAMN Cc1nc2c(-c3ccccc3)cnn2c(N2CCN(CCOc3cccc4ccccc43)CC2)c1C ZINC000027586148 556300558 /nfs/dbraw/zinc/30/05/58/556300558.db2.gz UESONTNNZOIWPX-UHFFFAOYSA-N 0 1 477.612 5.367 50 0 JKAAMN COc1ccccc1-c1cnn2c1nc(C)cc2N1CCN(CCOc2cccc3ccccc32)CC1 ZINC000027586298 556300946 /nfs/dbraw/zinc/30/09/46/556300946.db2.gz WYELEGIGTXEREW-UHFFFAOYSA-N 0 1 493.611 5.068 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N2CCCCC2)cc1 ZINC000013110083 556311058 /nfs/dbraw/zinc/31/10/58/556311058.db2.gz IZEHDRRLTHUQDB-QHCPKHFHSA-N 0 1 498.048 5.619 50 0 JKAAMN CN1CCN(c2ccc(NC(=O)Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)cc2)CC1 ZINC000028254792 556326869 /nfs/dbraw/zinc/32/68/69/556326869.db2.gz WEVHRRHXJTTZPB-UHFFFAOYSA-N 0 1 486.019 5.126 50 0 JKAAMN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)c1 ZINC000028286907 556327642 /nfs/dbraw/zinc/32/76/42/556327642.db2.gz OLNFECHHILEQOW-KRWDZBQOSA-N 0 1 493.519 6.224 50 0 JKAAMN CN1CCN(c2nc(-c3cccs3)ccc2C(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000019144367 556332004 /nfs/dbraw/zinc/33/20/04/556332004.db2.gz QCQADFKHGQKXSZ-UHFFFAOYSA-N 0 1 466.610 5.062 50 0 JKAAMN CCc1cc(-c2[nH]nc(C(F)(F)F)c2-c2csc(C)n2)c(O)cc1OCc1ccccc1Cl ZINC000028462432 556333759 /nfs/dbraw/zinc/33/37/59/556333759.db2.gz TYEOQHIVUHOHLA-UHFFFAOYSA-N 0 1 493.938 7.028 50 0 JKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4Br)CC3)ccc21 ZINC000019369774 556346647 /nfs/dbraw/zinc/34/66/47/556346647.db2.gz KJLBXKUHMXFSJU-UHFFFAOYSA-N 0 1 462.435 5.895 50 0 JKAAMN CC(C)c1ccc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019371283 556346852 /nfs/dbraw/zinc/34/68/52/556346852.db2.gz QCEJXIQCERBDHD-UHFFFAOYSA-N 0 1 452.598 5.824 50 0 JKAAMN CCOCCCN[C@@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000013129750 556353687 /nfs/dbraw/zinc/35/36/87/556353687.db2.gz GUASAOCNUGUWCQ-HSZRJFAPSA-N 0 1 466.603 5.288 50 0 JKAAMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](NCCCN1CCCCCC1=O)c1ccccc1 ZINC000013131578 556357769 /nfs/dbraw/zinc/35/77/69/556357769.db2.gz AETGUAUNHDTOHK-QFIPXVFZSA-N 0 1 481.946 5.421 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1c2c(nc3ccccc31)CCC2 ZINC000019690834 556360273 /nfs/dbraw/zinc/36/02/73/556360273.db2.gz UFBXLLJXIXDCBP-UHFFFAOYSA-N 0 1 476.624 5.069 50 0 JKAAMN CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1csc(Cc2ccccc2)n1)C3 ZINC000019742724 556365174 /nfs/dbraw/zinc/36/51/74/556365174.db2.gz HXZNQJAEIUGIIH-LJQANCHMSA-N 0 1 478.687 5.199 50 0 JKAAMN O=C1C(Nc2cccc(Cl)c2)=C[C@H](c2ccc3oc4ccccc4c3c2)N1c1cccc(Cl)c1 ZINC000030947949 556389505 /nfs/dbraw/zinc/38/95/05/556389505.db2.gz CAHXUELPEFFSOB-RUZDIDTESA-N 0 1 485.370 7.977 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4cc(Cl)ccc42)CC3)cc1OC ZINC000031815397 556407022 /nfs/dbraw/zinc/40/70/22/556407022.db2.gz AQAXVEFDBPQQTI-QFIPXVFZSA-N 0 1 483.977 5.146 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@@H+]([C@H](C(=O)[O-])c2c[nH]c4ccc(Br)cc42)CC3)cc1 ZINC000031815782 556407045 /nfs/dbraw/zinc/40/70/45/556407045.db2.gz UKXLPGBVUJZJAI-NRFANRHFSA-N 0 1 498.402 5.247 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4ccc(Br)cc42)CC3)cc1 ZINC000031815782 556407047 /nfs/dbraw/zinc/40/70/47/556407047.db2.gz UKXLPGBVUJZJAI-NRFANRHFSA-N 0 1 498.402 5.247 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccc(Cl)cc42)CC3)cc1OC ZINC000031816905 556407465 /nfs/dbraw/zinc/40/74/65/556407465.db2.gz HTZJWXPFFQYEON-JOCHJYFZSA-N 0 1 483.977 5.146 50 0 JKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000032593532 556447551 /nfs/dbraw/zinc/44/75/51/556447551.db2.gz POKPNTWHJZOBPS-GDLZYMKVSA-N 0 1 497.595 5.453 50 0 JKAAMN CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)cc1 ZINC000032623121 556452998 /nfs/dbraw/zinc/45/29/98/556452998.db2.gz BGQCLSZCPYBMRY-DEOSSOPVSA-N 0 1 475.589 5.193 50 0 JKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1Br ZINC000032690910 556470792 /nfs/dbraw/zinc/47/07/92/556470792.db2.gz XGJWRQCVIKZILT-MEDLQYOTSA-N 0 1 493.168 8.614 50 0 JKAAMN COc1ccc(-c2csc(NC(=O)CSc3nc4ccc(Cl)cc4[nH]3)n2)c(OC)c1 ZINC000032911165 556535872 /nfs/dbraw/zinc/53/58/72/556535872.db2.gz CKAGZVAHTKTDHV-UHFFFAOYSA-N 0 1 460.968 5.088 50 0 JKAAMN Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c(C)c1 ZINC000032948444 556563959 /nfs/dbraw/zinc/56/39/59/556563959.db2.gz AUTCKGBFLGKALT-UHFFFAOYSA-N 0 1 468.629 5.161 50 0 JKAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953253 556568482 /nfs/dbraw/zinc/56/84/82/556568482.db2.gz ZVJXPAGTTMAIPD-UHFFFAOYSA-N 0 1 471.004 5.592 50 0 JKAAMN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cc(-c2cccs2)n[nH]1 ZINC000032960585 556576941 /nfs/dbraw/zinc/57/69/41/556576941.db2.gz URJVAWQDIOHTPO-UHFFFAOYSA-N 0 1 489.604 6.515 50 0 JKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000008606578 562946839 /nfs/dbraw/zinc/94/68/39/562946839.db2.gz XYARKCHIZAVXOF-MHZLTWQESA-N 0 1 453.542 5.707 50 0 JKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000008606577 562946844 /nfs/dbraw/zinc/94/68/44/562946844.db2.gz XYARKCHIZAVXOF-HHHXNRCGSA-N 0 1 453.542 5.707 50 0 JKAAMN O=C(Nc1ccc2c(c1)CCN(Cc1nnc[nH]1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000033972842 563111508 /nfs/dbraw/zinc/11/15/08/563111508.db2.gz WNDIAFXQKOHFLV-UHFFFAOYSA-N 0 1 477.490 5.301 50 0 in-vitro JKAAMN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(N(C)C)cc4[nH]3)c2)c1 ZINC000040917821 563156042 /nfs/dbraw/zinc/15/60/42/563156042.db2.gz UBHJFPVTEATUFS-UHFFFAOYSA-N 0 1 450.926 5.219 50 0 JKAAMN COc1ccccc1[C@H](C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000053201224 563205219 /nfs/dbraw/zinc/20/52/19/563205219.db2.gz IHJBXDKSMAFCKB-INIZCTEOSA-N 0 1 471.479 5.256 50 0 JKAAMN CC(C)(C)c1cc(N2CCN(Cc3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284497 569589674 /nfs/dbraw/zinc/58/96/74/569589674.db2.gz FYELGPIQBPJRMA-UHFFFAOYSA-N 0 1 460.025 5.669 50 0 JKAAMN c1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000054596615 569590245 /nfs/dbraw/zinc/59/02/45/569590245.db2.gz PIXMRJMMBWHQHV-UHFFFAOYSA-N 0 1 462.622 6.348 50 0 JKAAMN COC(=O)c1sc2nc(CN(C)Cc3ccccc3)ccc2c1NC(=O)c1cc(C)ccc1C 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CC(C)c1ccc(CN2CCN(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cn3)CC2)cc1 ZINC000034681560 569643298 /nfs/dbraw/zinc/64/32/98/569643298.db2.gz YKSNSMWKHXGJAC-UHFFFAOYSA-N 0 1 482.550 5.798 50 0 JKAAMN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)cc4)CC3)nc2)cc1 ZINC000034681634 569643304 /nfs/dbraw/zinc/64/33/04/569643304.db2.gz HTMWFRNQYMNVBF-UHFFFAOYSA-N 0 1 460.597 5.483 50 0 JKAAMN O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681775 569643438 /nfs/dbraw/zinc/64/34/38/569643438.db2.gz KDCZBBWDVBGREY-UHFFFAOYSA-N 0 1 472.486 5.204 50 0 JKAAMN O=C(Nc1ccc(N2CCCN(Cc3ccccc3Cl)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681942 569643771 /nfs/dbraw/zinc/64/37/71/569643771.db2.gz WPJZKNYUQOMSDU-UHFFFAOYSA-N 0 1 488.941 5.718 50 0 JKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000034682698 569643915 /nfs/dbraw/zinc/64/39/15/569643915.db2.gz LAMWSXZRYGSEPK-UHFFFAOYSA-N 0 1 469.412 6.313 50 0 JKAAMN COc1ccc(OC)c(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c1 ZINC000034682650 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CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680072 569870156 /nfs/dbraw/zinc/87/01/56/569870156.db2.gz AAEIISIJRWFLFD-FYYLOGMGSA-N 0 1 495.664 5.665 50 0 JKAAMN C[C@@]12C(=O)[C@@H]([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000208126839 569874848 /nfs/dbraw/zinc/87/48/48/569874848.db2.gz CRZYYNZUSNTEQP-MOWFLYIVSA-N 0 1 458.605 6.350 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000226838007 570038711 /nfs/dbraw/zinc/03/87/11/570038711.db2.gz JGBAEQZSGKAWOY-FQJHJXCSSA-N 0 1 486.930 5.041 50 0 JKAAMN CC1(C)C=C(CN2CCN(Cc3ccccc3)CC2)c2ccccc2N1C(=O)c1ccccc1 ZINC000226854899 570038926 /nfs/dbraw/zinc/03/89/26/570038926.db2.gz UKMNFHCTUVEYPC-UHFFFAOYSA-N 0 1 451.614 5.327 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226890468 570039231 /nfs/dbraw/zinc/03/92/31/570039231.db2.gz XYZIWRRLWQCUOS-OYUWMTPXSA-N 0 1 486.568 5.098 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000226890468 570039232 /nfs/dbraw/zinc/03/92/32/570039232.db2.gz XYZIWRRLWQCUOS-OYUWMTPXSA-N 0 1 486.568 5.098 50 0 JKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229600726 570040611 /nfs/dbraw/zinc/04/06/11/570040611.db2.gz LVLYEPAAFQPDFO-XZSHTLEFSA-N 0 1 476.576 5.275 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000229983655 570043007 /nfs/dbraw/zinc/04/30/07/570043007.db2.gz XWVYRVUODLHGCT-UCDUTVGFSA-N 0 1 490.603 5.665 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccncc1)[C@]21c2ccccc2NC1=O ZINC000230024302 570043629 /nfs/dbraw/zinc/04/36/29/570043629.db2.gz CDKPVMWAAKYWAN-VIYORZMQSA-N 0 1 491.591 5.060 50 0 JKAAMN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1cccc(C(F)(F)F)c1 ZINC000238900510 570047422 /nfs/dbraw/zinc/04/74/22/570047422.db2.gz JBOYBROBOCSHJR-GOSISDBHSA-N 0 1 482.300 5.156 50 0 JKAAMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1cccc(C(F)(F)F)c1 ZINC000238900511 570047457 /nfs/dbraw/zinc/04/74/57/570047457.db2.gz JBOYBROBOCSHJR-SFHVURJKSA-N 0 1 482.300 5.156 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239297294 570050218 /nfs/dbraw/zinc/05/02/18/570050218.db2.gz DYWADYLSDWXVEG-FEVNIDIWSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239297294 570050221 /nfs/dbraw/zinc/05/02/21/570050221.db2.gz DYWADYLSDWXVEG-FEVNIDIWSA-N 0 1 476.532 5.068 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000239358420 570051213 /nfs/dbraw/zinc/05/12/13/570051213.db2.gz NGKKCMHSBRWVPL-ALTZYDRJSA-N 0 1 480.951 5.713 50 0 JKAAMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000239358420 570051214 /nfs/dbraw/zinc/05/12/14/570051214.db2.gz NGKKCMHSBRWVPL-ALTZYDRJSA-N 0 1 480.951 5.713 50 0 JKAAMN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)c1 ZINC000239412344 570051689 /nfs/dbraw/zinc/05/16/89/570051689.db2.gz SOTFIHHJHUBBKJ-WWDWLDGVSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)c1 ZINC000239412344 570051690 /nfs/dbraw/zinc/05/16/90/570051690.db2.gz SOTFIHHJHUBBKJ-WWDWLDGVSA-N 0 1 476.532 5.068 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000245312515 570063775 /nfs/dbraw/zinc/06/37/75/570063775.db2.gz VJCOJKUPZDCPIP-AQWTWLKTSA-N 0 1 482.967 5.292 50 0 JKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000248260958 570077080 /nfs/dbraw/zinc/07/70/80/570077080.db2.gz MJIMMXRDPQQIMF-CHCBTGSZSA-N 0 1 482.605 5.337 50 0 JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1cccc3cccnc31)CC(=O)O2 ZINC000253409974 570097594 /nfs/dbraw/zinc/09/75/94/570097594.db2.gz MSECJNBQFJOWEM-GOSISDBHSA-N 0 1 469.880 5.808 50 0 biogenic JKAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)c(OC)c1 ZINC000253412484 570097989 /nfs/dbraw/zinc/09/79/89/570097989.db2.gz RDPNSBJNNTYUMS-KRWDZBQOSA-N 0 1 478.884 5.277 50 0 biogenic JKAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413781 570098324 /nfs/dbraw/zinc/09/83/24/570098324.db2.gz VQKIVQJEIITPIO-INIZCTEOSA-N 0 1 478.884 5.277 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1cccnc1Cl)CC(=O)O2 ZINC000263588184 570172425 /nfs/dbraw/zinc/17/24/25/570172425.db2.gz QDIVASKULICKTG-CQSZACIVSA-N 0 1 454.265 5.308 50 0 JKAAMN CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000334163490 570185085 /nfs/dbraw/zinc/18/50/85/570185085.db2.gz UYNAAEFGKYWULB-RUZDIDTESA-N 0 1 473.598 5.243 50 0 JKAAMN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 ZINC000000629440 193861963 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0 1 456.951 5.213 50 0 JKAAMN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000001065259 194013735 /nfs/dbraw/zinc/01/37/35/194013735.db2.gz KQXGLJJFXPVKCC-XMMPIXPASA-N 0 1 465.450 5.279 50 0 JKAAMN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000001065683 194014016 /nfs/dbraw/zinc/01/40/16/194014016.db2.gz QZASRUIWCSTLCE-UHFFFAOYSA-N 0 1 461.008 5.732 50 0 JKAAMN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000001076326 194018307 /nfs/dbraw/zinc/01/83/07/194018307.db2.gz FAQAFAIZPVBARC-UHFFFAOYSA-N 0 1 458.967 5.409 50 0 JKAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(OC)c1 ZINC000001072763 194016471 /nfs/dbraw/zinc/01/64/71/194016471.db2.gz HDXCYLGGYLIGSY-UHFFFAOYSA-N 0 1 474.966 5.027 50 0 JKAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000001110767 194027158 /nfs/dbraw/zinc/02/71/58/194027158.db2.gz XHGISBYVBWPVGP-UHFFFAOYSA-N 0 1 468.884 5.720 50 0 JKAAMN O=C1NC(=O)[C@@](CCc2ccncc2)(Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000001115386 194029701 /nfs/dbraw/zinc/02/97/01/194029701.db2.gz DFAQYXPSDARAOV-XMMPIXPASA-N 0 1 478.346 5.129 50 0 JKAAMN CC[C@@H](NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@@H](C)CC)cc1 ZINC000001118661 194031879 /nfs/dbraw/zinc/03/18/79/194031879.db2.gz HOWHWLVGOWOWGV-HTAPYJJXSA-N 0 1 483.663 5.229 50 0 JKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000001161267 194054975 /nfs/dbraw/zinc/05/49/75/194054975.db2.gz TXLFUTMVOGJQQB-MRXNPFEDSA-N 0 1 491.034 5.577 50 0 JKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccc(I)c3)C2)c(=O)o1 ZINC000001229887 194076643 /nfs/dbraw/zinc/07/66/43/194076643.db2.gz JWJWFRQKZUBTOA-LJQANCHMSA-N 0 1 489.334 5.616 50 0 JKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccc(I)c3)C2)c(=O)o1 ZINC000001229888 194076647 /nfs/dbraw/zinc/07/66/47/194076647.db2.gz JWJWFRQKZUBTOA-IBGZPJMESA-N 0 1 489.334 5.616 50 0 JKAAMN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3Br)c21 ZINC000001211145 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ZINC000008927647 554825157 /nfs/dbraw/zinc/82/51/57/554825157.db2.gz JCQVZUKKULENAM-IBGZPJMESA-N 0 1 458.381 5.578 50 0 JKAAMN CCCc1ccc(C(=O)[C@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000008964746 554838646 /nfs/dbraw/zinc/83/86/46/554838646.db2.gz DSPNTMXKRMSPRH-NLOYNPKYSA-N 0 1 476.576 5.201 50 0 biogenic JKAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000008965901 554841265 /nfs/dbraw/zinc/84/12/65/554841265.db2.gz UOYCOBXDHZJJTO-INIZCTEOSA-N 0 1 469.592 5.204 50 0 JKAAMN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1Cl ZINC000009007743 554861238 /nfs/dbraw/zinc/86/12/38/554861238.db2.gz DQKFWDHOOJUBFA-RUZDIDTESA-N 0 1 478.423 6.529 50 0 JKAAMN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000009056776 554875659 /nfs/dbraw/zinc/87/56/59/554875659.db2.gz AKRFXIQGIUNSPC-QGZVFWFLSA-N 0 1 494.951 6.678 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000009075463 554886760 /nfs/dbraw/zinc/88/67/60/554886760.db2.gz LKKNGOPEDJTLJJ-UBFVSLLYSA-N 0 1 499.364 5.653 50 0 JKAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000009089696 554890472 /nfs/dbraw/zinc/89/04/72/554890472.db2.gz JQGVMZCUNUMEHY-SVYISMGTSA-N 0 1 484.555 5.402 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000009116166 554903401 /nfs/dbraw/zinc/90/34/01/554903401.db2.gz NEPFLDAZHMMTHU-UHFFFAOYSA-N 0 1 485.612 5.242 50 0 JKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2OC)cc1 ZINC000009119329 554910160 /nfs/dbraw/zinc/91/01/60/554910160.db2.gz OCTQIOZUYJEBPM-UHFFFAOYSA-N 0 1 496.919 5.079 50 0 JKAAMN Oc1cc(OCc2ccccc2Cl)ccc1-c1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000009124097 554915013 /nfs/dbraw/zinc/91/50/13/554915013.db2.gz ABFDEAQZNBNNIL-UHFFFAOYSA-N 0 1 479.285 7.354 50 0 JKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009124060 554915044 /nfs/dbraw/zinc/91/50/44/554915044.db2.gz DCRTYPSQBDWPMU-HSZRJFAPSA-N 0 1 465.340 5.538 50 0 JKAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000009124320 554915508 /nfs/dbraw/zinc/91/55/08/554915508.db2.gz LOHMXNRJNOJPGM-SANMLTNESA-N 0 1 487.531 5.388 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000009124389 554915528 /nfs/dbraw/zinc/91/55/28/554915528.db2.gz HKNZEYKNSAVGMP-SANMLTNESA-N 0 1 471.582 5.301 50 0 JKAAMN COc1ccccc1-c1c(C(F)(F)F)n[nH]c1-c1ccc(OCc2ccccc2F)cc1O ZINC000009130639 554930375 /nfs/dbraw/zinc/93/03/75/554930375.db2.gz HOYCJGFNFKEGTA-UHFFFAOYSA-N 0 1 458.411 6.195 50 0 JKAAMN COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)N(C)CC3)OCO2 ZINC000009186784 554959110 /nfs/dbraw/zinc/95/91/10/554959110.db2.gz RXLGJHRPYZIAAS-MQNAVGNWSA-N 0 1 465.634 5.590 50 0 biogenic JKAAMN COc1ccccc1-c1c(C(F)(F)F)n[nH]c1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000009187798 554960088 /nfs/dbraw/zinc/96/00/88/554960088.db2.gz GMRXQONEUAFUTB-UHFFFAOYSA-N 0 1 458.411 6.195 50 0 JKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009209416 554978366 /nfs/dbraw/zinc/97/83/66/554978366.db2.gz FQNBKLAYQNMRSZ-JVPIYLDOSA-N 0 1 490.603 5.583 50 0 JKAAMN Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000009210718 554980266 /nfs/dbraw/zinc/98/02/66/554980266.db2.gz QNXKAGMAAMFJAI-PMERELPUSA-N 0 1 473.620 6.684 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000009234198 555007624 /nfs/dbraw/zinc/00/76/24/555007624.db2.gz MRPSERQGZAGKMO-JOCHJYFZSA-N 0 1 491.942 5.620 50 0 JKAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)n2)cc1 ZINC000009235827 555009799 /nfs/dbraw/zinc/00/97/99/555009799.db2.gz QRIXGSCRLMQWJZ-UHFFFAOYSA-N 0 1 474.630 5.679 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009242993 555017758 /nfs/dbraw/zinc/01/77/58/555017758.db2.gz LGOZQVJJCBVELZ-RUZDIDTESA-N 0 1 494.378 5.886 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccc(C)cc2)cc1OC ZINC000009243094 555017957 /nfs/dbraw/zinc/01/79/57/555017957.db2.gz CWPFPPOFLYGSRT-MUUNZHRXSA-N 0 1 497.595 5.513 50 0 JKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2cccc(OCCC(C)C)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009243456 555018515 /nfs/dbraw/zinc/01/85/15/555018515.db2.gz MYKLZVYOQKQNRO-NDEPHWFRSA-N 0 1 496.611 5.964 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009243647 555018889 /nfs/dbraw/zinc/01/88/89/555018889.db2.gz BVLMNNDKUKQQJH-AREMUKBSSA-N 0 1 491.950 5.680 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009267172 555043133 /nfs/dbraw/zinc/04/31/33/555043133.db2.gz KBMBZUNNLALHFQ-JOCHJYFZSA-N 0 1 491.942 5.620 50 0 JKAAMN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000009272096 555044732 /nfs/dbraw/zinc/04/47/32/555044732.db2.gz BDONBCDVWUSJHH-SANMLTNESA-N 0 1 469.585 5.240 50 0 JKAAMN c1ccc2c(c1)CCC[C@H]2N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000009292249 555067325 /nfs/dbraw/zinc/06/73/25/555067325.db2.gz XVPXUUXMIRFENY-SXOMAYOGSA-N 0 1 450.586 5.495 50 0 JKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000009308064 555081544 /nfs/dbraw/zinc/08/15/44/555081544.db2.gz ODIDMQZZPSHRFJ-UBRKHCEVSA-N 0 1 496.632 5.645 50 0 JKAAMN c1ccc(Oc2cccc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2)cc1 ZINC000009310163 555085795 /nfs/dbraw/zinc/08/57/95/555085795.db2.gz VCDMZORSTUWZSX-UHFFFAOYSA-N 0 1 464.568 8.870 50 0 JKAAMN CSc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000009325760 555097310 /nfs/dbraw/zinc/09/73/10/555097310.db2.gz VJWKLYYPIJLMIX-UHFFFAOYSA-N 0 1 469.613 5.380 50 0 JKAAMN CCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000009354768 555119161 /nfs/dbraw/zinc/11/91/61/555119161.db2.gz RRFXSXUCXQPXTB-UHFFFAOYSA-N 0 1 467.572 5.057 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000009354784 555119200 /nfs/dbraw/zinc/11/92/00/555119200.db2.gz TVVIHTZZZUMACI-UHFFFAOYSA-N 0 1 484.002 5.825 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000009354773 555119222 /nfs/dbraw/zinc/11/92/22/555119222.db2.gz ZHNLUYMMVBTACC-UHFFFAOYSA-N 0 1 457.964 5.311 50 0 JKAAMN CSc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000009374967 555135913 /nfs/dbraw/zinc/13/59/13/555135913.db2.gz PQLBIWWIMNEXFS-UHFFFAOYSA-N 0 1 464.565 7.503 50 0 JKAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000009376383 555137292 /nfs/dbraw/zinc/13/72/92/555137292.db2.gz WAUAEHNHOZMVER-UHFFFAOYSA-N 0 1 476.554 5.079 50 0 JKAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009408901 555171863 /nfs/dbraw/zinc/17/18/63/555171863.db2.gz RYMCIWZCEDYSAZ-UZTOHYMASA-N 0 1 491.588 5.084 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1C[C@H]1CCCO1 ZINC000009408916 555172020 /nfs/dbraw/zinc/17/20/20/555172020.db2.gz ZQAVNWQPNJZIST-ZBLYBZFDSA-N 0 1 467.525 5.299 50 0 JKAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408953 555172063 /nfs/dbraw/zinc/17/20/63/555172063.db2.gz MWMBGGLFVPHGLH-RXFWQSSRSA-N 0 1 461.562 5.076 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1C[C@@H]1CCCO1 ZINC000009408950 555172066 /nfs/dbraw/zinc/17/20/66/555172066.db2.gz VFIYEWMKCORNQF-DWACAAAGSA-N 0 1 481.552 5.086 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000009408993 555172252 /nfs/dbraw/zinc/17/22/52/555172252.db2.gz JBGLCZGHBCTRTC-AREMUKBSSA-N 0 1 473.529 5.308 50 0 JKAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000009408980 555172279 /nfs/dbraw/zinc/17/22/79/555172279.db2.gz SFBXJEPBKPNOFE-MHZLTWQESA-N 0 1 487.556 5.698 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OCC ZINC000009408965 555172290 /nfs/dbraw/zinc/17/22/90/555172290.db2.gz GHXHKYNJEXWYNF-UZTOHYMASA-N 0 1 491.588 5.084 50 0 JKAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OCC ZINC000009408966 555172325 /nfs/dbraw/zinc/17/23/25/555172325.db2.gz GHXHKYNJEXWYNF-PPHZAIPVSA-N 0 1 491.588 5.084 50 0 JKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1Cc1ccco1 ZINC000009408985 555172333 /nfs/dbraw/zinc/17/23/33/555172333.db2.gz YLWHTIOPGRTVGD-HHHXNRCGSA-N 0 1 463.493 5.913 50 0 JKAAMN CCCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000009409004 555172504 /nfs/dbraw/zinc/17/25/04/555172504.db2.gz MKOHUVIYFQUPLP-SANMLTNESA-N 0 1 457.530 5.690 50 0 JKAAMN CCCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1 ZINC000009409092 555172853 /nfs/dbraw/zinc/17/28/53/555172853.db2.gz RTNGFDITGQVJIU-SANMLTNESA-N 0 1 463.578 5.323 50 0 JKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009409167 555173388 /nfs/dbraw/zinc/17/33/88/555173388.db2.gz KBJGPBIQCNRMBS-MUUNZHRXSA-N 0 1 483.568 5.368 50 0 JKAAMN CCOc1ccccc1CNC[C@@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000009409349 555174138 /nfs/dbraw/zinc/17/41/38/555174138.db2.gz XFOCIDRBBPJOQI-RUZDIDTESA-N 0 1 486.612 5.378 50 0 JKAAMN COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccccc3)cc2O)cc1OC ZINC000009409930 555175401 /nfs/dbraw/zinc/17/54/01/555175401.db2.gz DYOVIPFWWWRAQZ-UHFFFAOYSA-N 0 1 470.447 6.064 50 0 JKAAMN COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC ZINC000009410825 555177804 /nfs/dbraw/zinc/17/78/04/555177804.db2.gz JVUUYUAROSBTIR-UHFFFAOYSA-N 0 1 484.474 6.373 50 0 JKAAMN O=c1c2c[nH]nc2nc(SCc2ccc(C(F)(F)F)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000009434214 555205103 /nfs/dbraw/zinc/20/51/03/555205103.db2.gz LIIJGZZRNGHISU-UHFFFAOYSA-N 0 1 470.398 5.439 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000009444309 555217392 /nfs/dbraw/zinc/21/73/92/555217392.db2.gz HTNJFJVDKORIFO-UHFFFAOYSA-N 0 1 480.973 5.484 50 0 JKAAMN CCOc1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc(OCC)c1OCC ZINC000009457179 555226474 /nfs/dbraw/zinc/22/64/74/555226474.db2.gz DCYHZSRSIUSGGI-UHFFFAOYSA-N 0 1 494.554 5.250 50 0 JKAAMN Brc1ccc2c(c1)[C@H]1CC(c3cccnc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000009462170 555230896 /nfs/dbraw/zinc/23/08/96/555230896.db2.gz KJBPIWDCISRJNO-XMMPIXPASA-N 0 1 489.417 5.380 50 0 JKAAMN O=c1c2c[nH]nc2nc(SCc2ccccc2Cl)n1-c1ccc(Oc2ccccc2)cc1 ZINC000009495612 555280248 /nfs/dbraw/zinc/28/02/48/555280248.db2.gz OPKGHAVSBFZJNQ-UHFFFAOYSA-N 0 1 460.946 5.847 50 0 JKAAMN COc1cccc(NC(=O)[C@@H](Sc2nc(-c3ccccc3Br)n[nH]2)c2ccccc2)c1 ZINC000009512367 555302238 /nfs/dbraw/zinc/30/22/38/555302238.db2.gz AGEHSDPLHVMATA-FQEVSTJZSA-N 0 1 495.402 5.715 50 0 JKAAMN Cc1ccc2nc3sc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3cc2c1 ZINC000009528743 555322574 /nfs/dbraw/zinc/32/25/74/555322574.db2.gz 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CCOCc1c2ccccc2oc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000009634889 555340997 /nfs/dbraw/zinc/34/09/97/555340997.db2.gz WWAQOOPQIWGORU-UHFFFAOYSA-N 0 1 480.542 5.031 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSC)c1 ZINC000009635321 555342176 /nfs/dbraw/zinc/34/21/76/555342176.db2.gz OBWJDNMPZLFKIQ-UHFFFAOYSA-N 0 1 482.583 5.358 50 0 JKAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n2)cc1 ZINC000009548705 555345348 /nfs/dbraw/zinc/34/53/48/555345348.db2.gz URWRHVXOPRUIBK-LBPRGKRZSA-N 0 1 457.531 5.301 50 0 JKAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009549015 555346317 /nfs/dbraw/zinc/34/63/17/555346317.db2.gz NIEYFQGPIVEVQA-MRXNPFEDSA-N 0 1 451.602 5.065 50 0 JKAAMN c1ccc(CN2CCN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000013149695 555353588 /nfs/dbraw/zinc/35/35/88/555353588.db2.gz JZDORMINJLRDPW-UHFFFAOYSA-N 0 1 486.710 6.185 50 0 JKAAMN CCCCN1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(Br)cc32)CC1 ZINC000013321681 555376040 /nfs/dbraw/zinc/37/60/40/555376040.db2.gz KIOHAJYUOOROMU-UHFFFAOYSA-N 0 1 480.450 5.839 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Nc4ccc(C)c(C)c4)cc3C)s2)cc1 ZINC000013349173 555379139 /nfs/dbraw/zinc/37/91/39/555379139.db2.gz YOILAXBMVKYSSO-UHFFFAOYSA-N 0 1 480.615 5.975 50 0 JKAAMN Cc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009674215 555399416 /nfs/dbraw/zinc/39/94/16/555399416.db2.gz IHMYWJVXGMGVSZ-UHFFFAOYSA-N 0 1 457.555 5.554 50 0 JKAAMN COc1ccc(NC(=O)CSc2nc(-c3cccc(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000009674184 555399421 /nfs/dbraw/zinc/39/94/21/555399421.db2.gz KPUZXQMJEDBUBH-UHFFFAOYSA-N 0 1 475.570 5.500 50 0 JKAAMN COc1ccc(NC(=O)CSc2[nH]c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1OC ZINC000009674188 555399456 /nfs/dbraw/zinc/39/94/56/555399456.db2.gz YXKNQCMZZPFRTJ-UHFFFAOYSA-N 0 1 463.534 5.631 50 0 JKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679538 555406421 /nfs/dbraw/zinc/40/64/21/555406421.db2.gz PJMBXARQUZMIRR-JOCHJYFZSA-N 0 1 482.323 5.903 50 0 JKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679555 555406884 /nfs/dbraw/zinc/40/68/84/555406884.db2.gz ZHPXXJGUQNUGSS-QFIPXVFZSA-N 0 1 492.329 5.359 50 0 JKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679552 555406961 /nfs/dbraw/zinc/40/69/61/555406961.db2.gz ZHPXXJGUQNUGSS-JOCHJYFZSA-N 0 1 492.329 5.359 50 0 JKAAMN COc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1OC ZINC000009601563 555426369 /nfs/dbraw/zinc/42/63/69/555426369.db2.gz KWLDAVRNTYTISR-UHFFFAOYSA-N 0 1 462.574 7.796 50 0 JKAAMN CCCCSc1nnc2c(n1)O[C@H](C(=O)c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000009601907 555427524 /nfs/dbraw/zinc/42/75/24/555427524.db2.gz JCCJIPROYMOUPF-HXUWFJFHSA-N 0 1 471.380 5.207 50 0 JKAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)n2)cc1 ZINC000009602720 555428623 /nfs/dbraw/zinc/42/86/23/555428623.db2.gz DMMDLXVVUSHJRE-SFHVURJKSA-N 0 1 463.588 5.159 50 0 JKAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)cc1 ZINC000009602725 555428631 /nfs/dbraw/zinc/42/86/31/555428631.db2.gz DMMDLXVVUSHJRE-GOSISDBHSA-N 0 1 463.588 5.159 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3ccccc3OC)ccc2nc2c1CCCC2 ZINC000009612239 555444755 /nfs/dbraw/zinc/44/47/55/555444755.db2.gz NHQXXXFLLUAPOY-UHFFFAOYSA-N 0 1 453.542 6.127 50 0 JKAAMN O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)Nc1ccc(Br)cc1F ZINC000009613102 555447936 /nfs/dbraw/zinc/44/79/36/555447936.db2.gz UWZVCBWYVIEWGM-UHFFFAOYSA-N 0 1 476.158 5.411 50 0 JKAAMN CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000009730787 555466705 /nfs/dbraw/zinc/46/67/05/555466705.db2.gz CAIVYLKZEOGNSI-HWKANZROSA-N 0 1 491.400 5.349 50 0 JKAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)c(C)o2)cc1 ZINC000009731757 555468633 /nfs/dbraw/zinc/46/86/33/555468633.db2.gz SLZFZJMBNCMIAH-SANMLTNESA-N 0 1 457.618 5.618 50 0 JKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000009731778 555468874 /nfs/dbraw/zinc/46/88/74/555468874.db2.gz LGMBVDGBBAEPBH-IIBYNOLFSA-N 0 1 474.443 5.319 50 0 JKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000009731782 555468891 /nfs/dbraw/zinc/46/88/91/555468891.db2.gz USIQEFOBBBIBRH-UHFFFAOYSA-N 0 1 460.416 5.073 50 0 JKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000009731817 555468982 /nfs/dbraw/zinc/46/89/82/555468982.db2.gz RMSBMMXYZAXEDX-LJQANCHMSA-N 0 1 466.025 5.653 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc2nc2c1CCCC2 ZINC000009777107 555495615 /nfs/dbraw/zinc/49/56/15/555495615.db2.gz VQXVFMZZIJFQND-UHFFFAOYSA-N 0 1 485.672 7.657 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3cc(Cl)ccc3OC)ccc2nc2c1CCCC2 ZINC000009777092 555495683 /nfs/dbraw/zinc/49/56/83/555495683.db2.gz ZUGXZLXYHYSXKP-UHFFFAOYSA-N 0 1 487.987 6.780 50 0 JKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000009778585 555497353 /nfs/dbraw/zinc/49/73/53/555497353.db2.gz MQHCGELNRVBMRL-LOSJGSFVSA-N 0 1 488.971 5.580 50 0 JKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000009778576 555497380 /nfs/dbraw/zinc/49/73/80/555497380.db2.gz MQHCGELNRVBMRL-RPBOFIJWSA-N 0 1 488.971 5.580 50 0 JKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009778941 555497854 /nfs/dbraw/zinc/49/78/54/555497854.db2.gz GAAJXLYCXYLDIP-BJKOFHAPSA-N 0 1 474.944 5.272 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000009782718 555503507 /nfs/dbraw/zinc/50/35/07/555503507.db2.gz DAEHIVFAEYIMGF-UHFFFAOYSA-N 0 1 477.542 5.020 50 0 JKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc(Br)c4)CC3)ccc21 ZINC000019900184 555535433 /nfs/dbraw/zinc/53/54/33/555535433.db2.gz AFFIVBIKVYDRIN-UHFFFAOYSA-N 0 1 462.435 5.895 50 0 JKAAMN COc1cc(OC)c(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013617203 555536897 /nfs/dbraw/zinc/53/68/97/555536897.db2.gz KJTWKHMSZDTQLF-UHFFFAOYSA-N 0 1 469.766 6.844 50 0 JKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1Br ZINC000013646856 555551158 /nfs/dbraw/zinc/55/11/58/555551158.db2.gz XJNGYQUJAVEYKP-UHFFFAOYSA-N 0 1 481.393 7.849 50 0 JKAAMN O=c1c2c3c(sc2ncn1C1CCCC1)C[C@@H](NCc1csc(Cc2ccccc2)n1)CC3 ZINC000019939830 555557872 /nfs/dbraw/zinc/55/78/72/555557872.db2.gz METFCJHINMHGJC-SFHVURJKSA-N 0 1 476.671 5.268 50 0 JKAAMN c1ccc(CN2[C@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000020028386 555603879 /nfs/dbraw/zinc/60/38/79/555603879.db2.gz LZBMMFQTIDLMFA-LQJZCPKCSA-N 0 1 483.680 8.619 50 0 JKAAMN COc1ccc(-c2coc3c(ccc4c3CN(C3CCN(Cc5ccccc5)CC3)CO4)c2=O)cc1 ZINC000013733764 555605034 /nfs/dbraw/zinc/60/50/34/555605034.db2.gz DSJMMPYEXROBTQ-UHFFFAOYSA-N 0 1 482.580 5.285 50 0 biogenic JKAAMN Brc1ccc2c(c1)[C@@H]1CC(c3ccncc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000013750106 555608812 /nfs/dbraw/zinc/60/88/12/555608812.db2.gz GJTWBJGEHPVDAM-DEOSSOPVSA-N 0 1 489.417 5.380 50 0 JKAAMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)N1 ZINC000010059076 555609161 /nfs/dbraw/zinc/60/91/61/555609161.db2.gz KKRHQNSGMQFWRG-VSGBNLITSA-N 0 1 483.579 5.679 50 0 JKAAMN CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(CCc1ccccc1)C2 ZINC000013756143 555610722 /nfs/dbraw/zinc/61/07/22/555610722.db2.gz NZDPZXCOAQRBSV-UHFFFAOYSA-N 0 1 465.644 5.335 50 0 JKAAMN CN(C)CC1=C(c2ccccc2)N(Nc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000013757289 555611162 /nfs/dbraw/zinc/61/11/62/555611162.db2.gz COEQIRLCQCRSGI-FIRIVFDPSA-N 0 1 487.647 6.585 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013770680 555614871 /nfs/dbraw/zinc/61/48/71/555614871.db2.gz RWOJXXMELXBCQV-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000020100893 555633802 /nfs/dbraw/zinc/63/38/02/555633802.db2.gz RSYLDRYLBKXXLG-UHFFFAOYSA-N 0 1 468.626 5.156 50 0 JKAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc12 ZINC000020114431 555652486 /nfs/dbraw/zinc/65/24/86/555652486.db2.gz YVDKIOCGSQYBND-MRXNPFEDSA-N 0 1 473.404 5.008 50 0 JKAAMN CCCN(C(=S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1)c1ccc(CC)cc1 ZINC000020153607 555673095 /nfs/dbraw/zinc/67/30/95/555673095.db2.gz KMZQFCJULVWPOQ-UHFFFAOYSA-N 0 1 475.706 5.861 50 0 JKAAMN Brc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000010315528 555682286 /nfs/dbraw/zinc/68/22/86/555682286.db2.gz HQRWICIJXBOMFF-UHFFFAOYSA-N 0 1 462.185 5.475 50 0 JKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2SCC(=O)Nc2nccs2)cc1 ZINC000020182369 555689901 /nfs/dbraw/zinc/68/99/01/555689901.db2.gz CVWZCVWHFVAXML-UHFFFAOYSA-N 0 1 485.432 6.002 50 0 JKAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCc3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC000010381822 555701882 /nfs/dbraw/zinc/70/18/82/555701882.db2.gz MCGQYRFKPOMHIY-XMMPIXPASA-N 0 1 488.613 5.071 50 0 JKAAMN CC1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000010435188 555709910 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/nfs/dbraw/zinc/23/52/63/556235263.db2.gz PNDIQIYGAYXTNR-KDPUCFSDSA-N 0 1 462.722 7.460 50 0 JKAAMN Clc1ccc2nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc(-c3ccccc3)c2c1 ZINC000017196347 556238383 /nfs/dbraw/zinc/23/83/83/556238383.db2.gz WRGZQNJDSYSPKT-UHFFFAOYSA-N 0 1 463.972 7.030 50 0 JKAAMN NS(=O)(=O)c1ccc(N[P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1 ZINC000018055899 556280682 /nfs/dbraw/zinc/28/06/82/556280682.db2.gz ZQSISLNMLRLDLV-KBNZVFGVSA-N 0 1 493.352 6.499 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018069112 556283423 /nfs/dbraw/zinc/28/34/23/556283423.db2.gz GXPWKMBLSASAPE-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1 ZINC000027522919 556287120 /nfs/dbraw/zinc/28/71/20/556287120.db2.gz NIOHQZZDRBGINJ-FGZHOGPDSA-N 0 1 481.335 5.145 50 0 JKAAMN Cc1cc(I)cc(C)c1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000018180680 556299016 /nfs/dbraw/zinc/29/90/16/556299016.db2.gz AYTLFJFORZJCBC-UHFFFAOYSA-N 0 1 498.777 5.077 50 0 JKAAMN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027582331 556300205 /nfs/dbraw/zinc/30/02/05/556300205.db2.gz FDZBKDCRDIEZST-UHFFFAOYSA-N 0 1 465.509 6.518 50 0 JKAAMN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027584683 556300486 /nfs/dbraw/zinc/30/04/86/556300486.db2.gz OYKOCHRARRXZLL-NRFANRHFSA-N 0 1 455.396 5.769 50 0 JKAAMN Cc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000027585602 556300522 /nfs/dbraw/zinc/30/05/22/556300522.db2.gz GKMPQHZWPCPBRH-UHFFFAOYSA-N 0 1 498.030 5.712 50 0 JKAAMN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027584679 556300546 /nfs/dbraw/zinc/30/05/46/556300546.db2.gz OYKOCHRARRXZLL-OAQYLSRUSA-N 0 1 455.396 5.769 50 0 JKAAMN Cc1ccc(-c2cnn3c2nc(C)cc3N2CCN(CCOc3cccc4ccccc43)CC2)cc1 ZINC000027585858 556300642 /nfs/dbraw/zinc/30/06/42/556300642.db2.gz LFSLMHKOZRXHLA-UHFFFAOYSA-N 0 1 477.612 5.367 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCCC2)cc1 ZINC000027662244 556301703 /nfs/dbraw/zinc/30/17/03/556301703.db2.gz NFIHBOXLQAQPCY-QFIPXVFZSA-N 0 1 485.422 5.859 50 0 JKAAMN CCc1ccc(Cc2cc(C)cc(C)c2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000018194767 556301939 /nfs/dbraw/zinc/30/19/39/556301939.db2.gz BRUAFRUKFGAGCR-UHFFFAOYSA-N 0 1 463.426 6.443 50 0 JKAAMN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000027662631 556302085 /nfs/dbraw/zinc/30/20/85/556302085.db2.gz PEMYPKDDEXFMIT-UHFFFAOYSA-N 0 1 451.482 6.209 50 0 JKAAMN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000027662660 556302120 /nfs/dbraw/zinc/30/21/20/556302120.db2.gz UARFRKRYXCHKQB-UHFFFAOYSA-N 0 1 467.481 5.909 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCCCCC2)cc1 ZINC000027662248 556302150 /nfs/dbraw/zinc/30/21/50/556302150.db2.gz BSKRCBFVZUWTOJ-QFIPXVFZSA-N 0 1 485.422 5.859 50 0 JKAAMN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000027662658 556302159 /nfs/dbraw/zinc/30/21/59/556302159.db2.gz RUJIWODPLXTGQC-UHFFFAOYSA-N 0 1 469.472 6.348 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1C ZINC000028025778 556312885 /nfs/dbraw/zinc/31/28/85/556312885.db2.gz IDSBFQRKZJUIDS-UHFFFAOYSA-N 0 1 499.639 5.171 50 0 JKAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000013113558 556318279 /nfs/dbraw/zinc/31/82/79/556318279.db2.gz GWMYJNXKMXBGOJ-JXMROGBWSA-N 0 1 484.581 5.082 50 0 JKAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000013114634 556320078 /nfs/dbraw/zinc/32/00/78/556320078.db2.gz AYLGCFPYEAYHLP-HNNXBMFYSA-N 0 1 479.403 6.021 50 0 JKAAMN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)N2CCCC2)cc1 ZINC000028290103 556327916 /nfs/dbraw/zinc/32/79/16/556327916.db2.gz NMIZCIATVUFDBW-OAQYLSRUSA-N 0 1 497.433 5.420 50 0 JKAAMN Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCCC3)cc(=O)c2cc1Cl ZINC000028402824 556332350 /nfs/dbraw/zinc/33/23/50/556332350.db2.gz PSRNDSJFNMWOBL-HSZRJFAPSA-N 0 1 481.036 6.009 50 0 JKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(OC)cc4OC)CC3)ccc21 ZINC000019369753 556346553 /nfs/dbraw/zinc/34/65/53/556346553.db2.gz LUSVBYOQZWTIPR-UHFFFAOYSA-N 0 1 473.617 5.158 50 0 JKAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000013128937 556350065 /nfs/dbraw/zinc/35/00/65/556350065.db2.gz XNSJHPVOOYSXSP-UHFFFAOYSA-N 0 1 491.565 5.184 50 0 JKAAMN O[C@H](Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)CN1CCOCC1 ZINC000019800320 556377471 /nfs/dbraw/zinc/37/74/71/556377471.db2.gz CBXVNVGAGQBJIV-SANMLTNESA-N 0 1 462.593 5.822 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4cc(Br)ccc42)CC3)cc1 ZINC000031813439 556406797 /nfs/dbraw/zinc/40/67/97/556406797.db2.gz KHYBTHOYKGDTCE-OAQYLSRUSA-N 0 1 498.402 5.247 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccc(Cl)cc42)CC3)cc1 ZINC000031815643 556407034 /nfs/dbraw/zinc/40/70/34/556407034.db2.gz SYOPCCDMABVHKT-OAQYLSRUSA-N 0 1 453.951 5.137 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccc(Br)cc42)CC3)cc1 ZINC000031815777 556407148 /nfs/dbraw/zinc/40/71/48/556407148.db2.gz UKXLPGBVUJZJAI-OAQYLSRUSA-N 0 1 498.402 5.247 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccc(Br)cc42)CC3)cc1 ZINC000031815777 556407150 /nfs/dbraw/zinc/40/71/50/556407150.db2.gz UKXLPGBVUJZJAI-OAQYLSRUSA-N 0 1 498.402 5.247 50 0 JKAAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(CCc2ccccc2)C3=O)cc1 ZINC000032593533 556447545 /nfs/dbraw/zinc/44/75/45/556447545.db2.gz TVERXLZGCXIBBK-VWLOTQADSA-N 0 1 488.385 5.636 50 0 JKAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032622674 556452444 /nfs/dbraw/zinc/45/24/44/556452444.db2.gz LTHLUVOMOFDWAP-QFIPXVFZSA-N 0 1 481.980 5.113 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCCC2)cc1 ZINC000032624330 556454312 /nfs/dbraw/zinc/45/43/12/556454312.db2.gz LSZYRXQFRFRJRK-AREMUKBSSA-N 0 1 459.590 5.186 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCCC2)cc1 ZINC000032624332 556454410 /nfs/dbraw/zinc/45/44/10/556454410.db2.gz LSZYRXQFRFRJRK-SANMLTNESA-N 0 1 459.590 5.186 50 0 JKAAMN COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 ZINC000032836187 556507175 /nfs/dbraw/zinc/50/71/75/556507175.db2.gz QYVZLODPMBUKRN-QGZVFWFLSA-N 0 1 486.037 5.440 50 0 JKAAMN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(Cc3ccc(C)cc3C)CC2)c1-c1ccc(F)cc1 ZINC000032929406 556545632 /nfs/dbraw/zinc/54/56/32/556545632.db2.gz JAVVOBCKQXKSJR-UHFFFAOYSA-N 0 1 485.651 6.080 50 0 JKAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4cccc(CC)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948239 556563098 /nfs/dbraw/zinc/56/30/98/556563098.db2.gz NWGPGHMINQGKAY-UHFFFAOYSA-N 0 1 498.655 5.197 50 0 JKAAMN CCc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948449 556564045 /nfs/dbraw/zinc/56/40/45/556564045.db2.gz MQBZPIYBIGLBRL-UHFFFAOYSA-N 0 1 468.629 5.106 50 0 JKAAMN Cc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000032948623 556564263 /nfs/dbraw/zinc/56/42/63/556564263.db2.gz VVVXIVDSAFAAJM-UHFFFAOYSA-N 0 1 468.629 5.161 50 0 JKAAMN CSc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[nH]2)c1 ZINC000032948633 556564388 /nfs/dbraw/zinc/56/43/88/556564388.db2.gz JGHUNZURCVQYNE-UHFFFAOYSA-N 0 1 486.669 5.266 50 0 JKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccc3)CC2)c1C ZINC000054073007 569589143 /nfs/dbraw/zinc/58/91/43/569589143.db2.gz LBCPBYGOHLJIDS-HHHXNRCGSA-N 0 1 485.653 6.430 50 0 JKAAMN Clc1ccc(OCCN2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)cc1 ZINC000054074898 569589271 /nfs/dbraw/zinc/58/92/71/569589271.db2.gz BDZWDLLQSAIQCA-UHFFFAOYSA-N 0 1 457.024 5.274 50 0 JKAAMN Cc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284494 569589805 /nfs/dbraw/zinc/58/98/05/569589805.db2.gz DDBAETZOCHORSM-UHFFFAOYSA-N 0 1 498.030 5.712 50 0 JKAAMN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCc1ccccc1 ZINC000054581978 569590334 /nfs/dbraw/zinc/59/03/34/569590334.db2.gz LDBJSKJJQXLSCH-UHFFFAOYSA-N 0 1 470.594 5.987 50 0 JKAAMN Cc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)s1 ZINC000055324905 569591694 /nfs/dbraw/zinc/59/16/94/569591694.db2.gz JCLXSRNHMIRWAT-UHFFFAOYSA-N 0 1 499.558 5.194 50 0 JKAAMN CCOc1ccc(NC(=O)c2c(NC(=O)CN[C@@H](C)c3ccccc3)sc3c2CCC3)cc1 ZINC000055505502 569591865 /nfs/dbraw/zinc/59/18/65/569591865.db2.gz TVGPBTBSPSWGTN-KRWDZBQOSA-N 0 1 463.603 5.177 50 0 JKAAMN CCOC(=O)c1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)C(=O)CCCC1 ZINC000055455706 569592013 /nfs/dbraw/zinc/59/20/13/569592013.db2.gz SSHKUAMKLXSIDI-UHFFFAOYSA-N 0 1 494.635 6.430 50 0 JKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000057222930 569594714 /nfs/dbraw/zinc/59/47/14/569594714.db2.gz OOCGTBMKOPODGM-UHFFFAOYSA-N 0 1 499.655 5.735 50 0 JKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000057222817 569594779 /nfs/dbraw/zinc/59/47/79/569594779.db2.gz GRNUPIKQHPKBMF-UHFFFAOYSA-N 0 1 498.410 5.355 50 0 JKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000057222925 569594816 /nfs/dbraw/zinc/59/48/16/569594816.db2.gz ANULNORHJWTNMG-UHFFFAOYSA-N 0 1 485.628 5.561 50 0 JKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000057222896 569594841 /nfs/dbraw/zinc/59/48/41/569594841.db2.gz OIZOIMOUBQZARG-UHFFFAOYSA-N 0 1 492.019 5.400 50 0 JKAAMN Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN(Cc1ccccc1)Cc1ccccc1 ZINC000008717443 569596672 /nfs/dbraw/zinc/59/66/72/569596672.db2.gz KPRLLAUMVDSZKR-UHFFFAOYSA-N 0 1 453.586 5.288 50 0 JKAAMN Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000008717735 569596759 /nfs/dbraw/zinc/59/67/59/569596759.db2.gz QAKZPLCLMXLXHV-QFIPXVFZSA-N 0 1 478.390 5.578 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000008717747 569596826 /nfs/dbraw/zinc/59/68/26/569596826.db2.gz TZCXXBJZMMGAAJ-RUZDIDTESA-N 0 1 474.004 5.884 50 0 JKAAMN CCCc1nc(SCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000008719092 569597291 /nfs/dbraw/zinc/59/72/91/569597291.db2.gz YFBFKOXWMIPJAR-KRWDZBQOSA-N 0 1 488.444 5.586 50 0 JKAAMN CCCc1n[nH]c(SCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2Cl)n1 ZINC000008719092 569597292 /nfs/dbraw/zinc/59/72/92/569597292.db2.gz YFBFKOXWMIPJAR-KRWDZBQOSA-N 0 1 488.444 5.586 50 0 JKAAMN Clc1ccc(CN(Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1 ZINC000062330639 569610587 /nfs/dbraw/zinc/61/05/87/569610587.db2.gz ULPJUEXOQSUXOR-UHFFFAOYSA-N 0 1 479.643 7.067 50 0 JKAAMN COc1c(Cl)cc(C(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1Cl ZINC000062626302 569613751 /nfs/dbraw/zinc/61/37/51/569613751.db2.gz YCOBYTAZIFRGHS-UHFFFAOYSA-N 0 1 485.415 5.014 50 0 JKAAMN CCCCC(=O)Nc1ccc2nc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010367 569616728 /nfs/dbraw/zinc/61/67/28/569616728.db2.gz VKVBIFAFGBAILU-UHFFFAOYSA-N 0 1 480.996 5.037 50 0 JKAAMN CC(C)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064557965 569618454 /nfs/dbraw/zinc/61/84/54/569618454.db2.gz FBYNLPMCLQHPKE-QFIPXVFZSA-N 0 1 467.974 5.795 50 0 JKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000064558177 569618532 /nfs/dbraw/zinc/61/85/32/569618532.db2.gz LSAFGHRSXYYPJU-FQEVSTJZSA-N 0 1 484.371 5.089 50 0 JKAAMN Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558188 569618559 /nfs/dbraw/zinc/61/85/59/569618559.db2.gz JHBOJYKRNZHQHW-NRFANRHFSA-N 0 1 498.398 5.397 50 0 JKAAMN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000064579521 569620445 /nfs/dbraw/zinc/62/04/45/569620445.db2.gz MTGNVJWFHZFZNB-FQEVSTJZSA-N 0 1 499.658 5.265 50 0 JKAAMN O=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1ccccc1Cl ZINC000033169095 569621734 /nfs/dbraw/zinc/62/17/34/569621734.db2.gz NVILLSCLLFZMCW-UHFFFAOYSA-N 0 1 469.802 6.724 50 0 JKAAMN CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033124039 569621637 /nfs/dbraw/zinc/62/16/37/569621637.db2.gz KAAZIORWPOTLLF-UHFFFAOYSA-N 0 1 471.991 5.684 50 0 JKAAMN CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033326894 569624035 /nfs/dbraw/zinc/62/40/35/569624035.db2.gz BAGLMYBVHCPVKE-UHFFFAOYSA-N 0 1 481.622 5.473 50 0 JKAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(Cl)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746082 569625183 /nfs/dbraw/zinc/62/51/83/569625183.db2.gz YBTFWLXIYXTLDN-UHFFFAOYSA-N 0 1 473.090 5.778 50 0 JKAAMN O=C(NC(=Cc1cccc(Br)c1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000033587007 569628236 /nfs/dbraw/zinc/62/82/36/569628236.db2.gz CBFLFPFVVYTLEA-NDENLUEZSA-N 0 1 452.739 5.907 50 0 JKAAMN Cc1cc(Nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064802086 569631844 /nfs/dbraw/zinc/63/18/44/569631844.db2.gz DOKVAUWUJSMYQJ-UHFFFAOYSA-N 0 1 478.405 5.236 50 0 JKAAMN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000064802056 569631890 /nfs/dbraw/zinc/63/18/90/569631890.db2.gz NUKFMLAQOSAJKQ-UHFFFAOYSA-N 0 1 452.367 5.068 50 0 JKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000064845822 569638553 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AZNPOBYWIZWWGZ-MUUNZHRXSA-N 0 1 478.552 5.363 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(Cl)cc1)=N2 ZINC000035372573 569683134 /nfs/dbraw/zinc/68/31/34/569683134.db2.gz YGZMIJJUJINISM-UHFFFAOYSA-N 0 1 469.054 5.342 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccccc1)=N2 ZINC000035372834 569683287 /nfs/dbraw/zinc/68/32/87/569683287.db2.gz OISRDOHZZUYBQO-UHFFFAOYSA-N 0 1 455.027 5.034 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397170 569687688 /nfs/dbraw/zinc/68/76/88/569687688.db2.gz AOOSZLBCPZRPOV-UHFFFAOYSA-N 0 1 498.643 5.647 50 0 JKAAMN CCc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035397145 569687753 /nfs/dbraw/zinc/68/77/53/569687753.db2.gz XHKCZKKVPAIKON-UHFFFAOYSA-N 0 1 476.690 5.542 50 0 JKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397151 569687820 /nfs/dbraw/zinc/68/78/20/569687820.db2.gz UZGZQYRYEDCRDA-UHFFFAOYSA-N 0 1 466.626 5.118 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397163 569687827 /nfs/dbraw/zinc/68/78/27/569687827.db2.gz KXQNUYUYIFNORU-UHFFFAOYSA-N 0 1 490.717 5.986 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397202 569687924 /nfs/dbraw/zinc/68/79/24/569687924.db2.gz AFDOLXRXZCDDCP-UHFFFAOYSA-N 0 1 499.478 5.143 50 0 JKAAMN CCCC(=O)Nc1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000035422724 569692795 /nfs/dbraw/zinc/69/27/95/569692795.db2.gz MKQIRQIDQTWGOQ-UHFFFAOYSA-N 0 1 493.554 5.313 50 0 JKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000069777157 569693601 /nfs/dbraw/zinc/69/36/01/569693601.db2.gz DHKYVWUQUKMCMO-UHFFFAOYSA-N 0 1 471.365 6.200 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427400 569694169 /nfs/dbraw/zinc/69/41/69/569694169.db2.gz TUNZHUPBYOLNQX-NDEPHWFRSA-N 0 1 496.680 6.040 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427394 569694274 /nfs/dbraw/zinc/69/42/74/569694274.db2.gz LLQUPOOJPNKLLE-MUUNZHRXSA-N 0 1 496.680 6.671 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427450 569694419 /nfs/dbraw/zinc/69/44/19/569694419.db2.gz SGHROLYPANIDSO-SANMLTNESA-N 0 1 486.616 6.193 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427445 569694455 /nfs/dbraw/zinc/69/44/55/569694455.db2.gz XJIYUENXQJYOBD-VWLOTQADSA-N 0 1 462.663 5.578 50 0 JKAAMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000071965318 569699393 /nfs/dbraw/zinc/69/93/93/569699393.db2.gz SAPWSABEPRRJJI-RUZDIDTESA-N 0 1 454.505 5.196 50 0 JKAAMN CC(C)(C)c1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCCC2)cc1 ZINC000035671566 569706263 /nfs/dbraw/zinc/70/62/63/569706263.db2.gz KZJYYBDNJFZZAB-GOSISDBHSA-N 0 1 482.675 5.027 50 0 JKAAMN COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000035803032 569711290 /nfs/dbraw/zinc/71/12/90/569711290.db2.gz DPMQLOQXDNTHDW-UHFFFAOYSA-N 0 1 490.602 6.390 50 0 JKAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000035829440 569712855 /nfs/dbraw/zinc/71/28/55/569712855.db2.gz XOINUMOJHCUWDD-XYGWBWBKSA-N 0 1 496.542 5.018 50 0 JKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000035843189 569714295 /nfs/dbraw/zinc/71/42/95/569714295.db2.gz DIVYKISDVGEKFS-APSVEGKFSA-N 0 1 492.556 5.197 50 0 JKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000035843189 569714296 /nfs/dbraw/zinc/71/42/96/569714296.db2.gz DIVYKISDVGEKFS-APSVEGKFSA-N 0 1 492.556 5.197 50 0 JKAAMN CC(C)N(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843614 569714609 /nfs/dbraw/zinc/71/46/09/569714609.db2.gz GZURJDRUYWLODB-NRFANRHFSA-N 0 1 451.405 5.073 50 0 JKAAMN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844994 569715813 /nfs/dbraw/zinc/71/58/13/569715813.db2.gz OUQQAVSMTAIBRS-UHFFFAOYSA-N 0 1 488.716 7.149 50 0 JKAAMN Cc1c(N)c2c(nc1-c1ccccc1)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000035883760 569720033 /nfs/dbraw/zinc/72/00/33/569720033.db2.gz FAFMOUWJKHEXQN-UHFFFAOYSA-N 0 1 465.600 7.976 50 0 JKAAMN O=C(COc1ccc(C2SCCCS2)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095394973 569723135 /nfs/dbraw/zinc/72/31/35/569723135.db2.gz IFGQLKCVZHJEBV-UHFFFAOYSA-N 0 1 477.095 5.368 50 0 JKAAMN O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000035907816 569723504 /nfs/dbraw/zinc/72/35/04/569723504.db2.gz BCYNWSGEAWBBGC-ZCYQVOJMSA-N 0 1 471.567 5.017 50 0 JKAAMN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000095473323 569723702 /nfs/dbraw/zinc/72/37/02/569723702.db2.gz KYVUZSJSHFBFAJ-QFIPXVFZSA-N 0 1 453.989 5.235 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000095483666 569725157 /nfs/dbraw/zinc/72/51/57/569725157.db2.gz KGTCDSBYSHPIRU-VXNXHJTFSA-N 0 1 460.961 5.689 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095483666 569725158 /nfs/dbraw/zinc/72/51/58/569725158.db2.gz KGTCDSBYSHPIRU-VXNXHJTFSA-N 0 1 460.961 5.689 50 0 JKAAMN Cc1ncc(CN2CCc3ccccc3C2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095549594 569727447 /nfs/dbraw/zinc/72/74/47/569727447.db2.gz ZNPDAVPDVCPBNF-UHFFFAOYSA-N 0 1 466.493 5.197 50 0 biogenic JKAAMN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(Cc4ccco4)CC3)n2)cc1 ZINC000035927813 569730675 /nfs/dbraw/zinc/73/06/75/569730675.db2.gz TUHVJFDUDPTWQD-UHFFFAOYSA-N 0 1 478.600 5.020 50 0 JKAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095947953 569731200 /nfs/dbraw/zinc/73/12/00/569731200.db2.gz WYJNUXGOSSQZNI-UHFFFAOYSA-N 0 1 479.101 5.584 50 0 JKAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1OC(C)C ZINC000096115150 569734176 /nfs/dbraw/zinc/73/41/76/569734176.db2.gz YZXBTMHCCWNJNH-GOSISDBHSA-N 0 1 488.492 5.108 50 0 biogenic JKAAMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(Cl)cc2)c1CN(C)C ZINC000096593997 569742227 /nfs/dbraw/zinc/74/22/27/569742227.db2.gz ACWSJYBYIGCOTH-UHFFFAOYSA-N 0 1 493.785 5.210 50 0 JKAAMN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000096834724 569743319 /nfs/dbraw/zinc/74/33/19/569743319.db2.gz KQXGLJJFXPVKCC-DEOSSOPVSA-N 0 1 465.450 5.279 50 0 JKAAMN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(Cc2ccccc2)CC1 ZINC000097730304 569745842 /nfs/dbraw/zinc/74/58/42/569745842.db2.gz UYPXZGRIHRQITC-UHFFFAOYSA-N 0 1 459.597 5.718 50 0 JKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100123877 569753267 /nfs/dbraw/zinc/75/32/67/569753267.db2.gz VAWKIFVVJANQRK-VSKRKVRLSA-N 0 1 469.324 5.053 50 0 JKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC(C)C)o1 ZINC000036202566 569757090 /nfs/dbraw/zinc/75/70/90/569757090.db2.gz SGUQJUXKAZTPCK-UHFFFAOYSA-N 0 1 465.540 6.402 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC ZINC000036301686 569759176 /nfs/dbraw/zinc/75/91/76/569759176.db2.gz BQOCKFNTVKCBQF-QFIPXVFZSA-N 0 1 488.028 5.244 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000100425385 569760129 /nfs/dbraw/zinc/76/01/29/569760129.db2.gz JGFDXCSKDDZJGE-JIYROHSKSA-N 0 1 496.626 8.265 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426783 569760328 /nfs/dbraw/zinc/76/03/28/569760328.db2.gz SROHGBSEHMNVCT-XHCCPWGMSA-N 0 1 477.391 7.563 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000100426187 569760343 /nfs/dbraw/zinc/76/03/43/569760343.db2.gz CJMBTDBHGMGPLC-WTYVLRPYSA-N 0 1 472.972 6.919 50 0 JKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426208 569760361 /nfs/dbraw/zinc/76/03/61/569760361.db2.gz QQWJBMJEMJJMIA-ACSYHNTCSA-N 0 1 486.999 7.309 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000100426190 569760384 /nfs/dbraw/zinc/76/03/84/569760384.db2.gz CJMBTDBHGMGPLC-PIIWDFAUSA-N 0 1 472.972 6.919 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(C)=O)[C@H]3c3cccs3)C2)cc1 ZINC000100427070 569760486 /nfs/dbraw/zinc/76/04/86/569760486.db2.gz UTAHNFIAQWQCCI-WINIVTDRSA-N 0 1 458.583 6.635 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(C)=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000100427150 569760542 /nfs/dbraw/zinc/76/05/42/569760542.db2.gz DIXLXEQBUVYAEO-PBBNMVCDSA-N 0 1 470.544 6.713 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(C)=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100427146 569760546 /nfs/dbraw/zinc/76/05/46/569760546.db2.gz DIXLXEQBUVYAEO-ONOMSOESSA-N 0 1 470.544 6.713 50 0 JKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100429597 569760703 /nfs/dbraw/zinc/76/07/03/569760703.db2.gz DMDHLKQBLSCHHE-CHJDUVSTSA-N 0 1 490.559 7.152 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccnc1 ZINC000100429199 569760735 /nfs/dbraw/zinc/76/07/35/569760735.db2.gz RJQDTCOEJWZVDR-CHJDUVSTSA-N 0 1 483.587 7.351 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccco3)C2)cc1 ZINC000100429439 569760746 /nfs/dbraw/zinc/76/07/46/569760746.db2.gz CQSGQIRHQUVHOS-CHJDUVSTSA-N 0 1 490.559 7.152 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000100429275 569760748 /nfs/dbraw/zinc/76/07/48/569760748.db2.gz RHXKHWNXNOYWAQ-PZGXJGMVSA-N 0 1 460.533 7.144 50 0 JKAAMN CCCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313659 569760772 /nfs/dbraw/zinc/76/07/72/569760772.db2.gz SYIJGPACDQZDTI-HSZRJFAPSA-N 0 1 463.622 5.751 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313776 569761118 /nfs/dbraw/zinc/76/11/18/569761118.db2.gz HRHVYEBHBUUGSJ-QHCPKHFHSA-N 0 1 479.621 5.030 50 0 JKAAMN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313905 569761397 /nfs/dbraw/zinc/76/13/97/569761397.db2.gz GGSOLJOWMKNCKI-QHCPKHFHSA-N 0 1 451.611 5.743 50 0 JKAAMN CCCCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036313898 569761414 /nfs/dbraw/zinc/76/14/14/569761414.db2.gz ZQQNHSKXBZAYCK-QHCPKHFHSA-N 0 1 487.591 5.641 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313857 569761431 /nfs/dbraw/zinc/76/14/31/569761431.db2.gz SAUPBZDTCOZYDY-RUZDIDTESA-N 0 1 498.067 6.016 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036313910 569761452 /nfs/dbraw/zinc/76/14/52/569761452.db2.gz GEKJKHWXWRPTMF-VWLOTQADSA-N 0 1 493.648 5.371 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036313887 569761485 /nfs/dbraw/zinc/76/14/85/569761485.db2.gz DWDLPEUWIQOQGD-QHCPKHFHSA-N 0 1 495.664 6.007 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313907 569761494 /nfs/dbraw/zinc/76/14/94/569761494.db2.gz DXSULZNXWARMBN-XMMPIXPASA-N 0 1 481.637 5.370 50 0 JKAAMN CCCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313971 569761674 /nfs/dbraw/zinc/76/16/74/569761674.db2.gz LHARKZGHRGUSJX-QFIPXVFZSA-N 0 1 455.574 5.018 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313923 569761686 /nfs/dbraw/zinc/76/16/86/569761686.db2.gz MFNYOZNNVBRIDJ-RUZDIDTESA-N 0 1 493.648 5.371 50 0 JKAAMN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316185 569762410 /nfs/dbraw/zinc/76/24/10/569762410.db2.gz AOCMPTDXAUXDCI-QFIPXVFZSA-N 0 1 467.585 5.016 50 0 JKAAMN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316184 569762439 /nfs/dbraw/zinc/76/24/39/569762439.db2.gz AOCMPTDXAUXDCI-JOCHJYFZSA-N 0 1 467.585 5.016 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036316333 569762545 /nfs/dbraw/zinc/76/25/45/569762545.db2.gz CYUVIGGAGDCPHN-XMMPIXPASA-N 0 1 477.649 5.615 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COc1ccccc1)C(C)C ZINC000036316259 569762667 /nfs/dbraw/zinc/76/26/67/569762667.db2.gz CGTYQOKNFJADTL-RUZDIDTESA-N 0 1 485.628 5.877 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036316385 569762771 /nfs/dbraw/zinc/76/27/71/569762771.db2.gz GPQOEQJVGGEKFE-HSZRJFAPSA-N 0 1 495.664 5.622 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036316379 569762837 /nfs/dbraw/zinc/76/28/37/569762837.db2.gz FZJGEVIOCIPGJG-HSZRJFAPSA-N 0 1 481.637 5.232 50 0 JKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036316425 569763137 /nfs/dbraw/zinc/76/31/37/569763137.db2.gz OEIVMPKBYHQLTR-HSZRJFAPSA-N 0 1 481.637 5.234 50 0 JKAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340156 569763555 /nfs/dbraw/zinc/76/35/55/569763555.db2.gz LGCKSLLFIKQMIX-SANMLTNESA-N 0 1 458.650 5.024 50 0 JKAAMN Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000036340145 569763601 /nfs/dbraw/zinc/76/36/01/569763601.db2.gz ACHPRESSJRCCLM-LJAQVGFWSA-N 0 1 492.667 5.077 50 0 JKAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340595 569764034 /nfs/dbraw/zinc/76/40/34/569764034.db2.gz AIWXUNFRPIQLTF-SANMLTNESA-N 0 1 458.650 5.024 50 0 JKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036341650 569764644 /nfs/dbraw/zinc/76/46/44/569764644.db2.gz PFEPLQWMQKXJSG-GDLZYMKVSA-N 0 1 497.639 5.336 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341594 569764727 /nfs/dbraw/zinc/76/47/27/569764727.db2.gz OSRGTNFPJJEEBT-SSEXGKCCSA-N 0 1 465.641 5.936 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341783 569764874 /nfs/dbraw/zinc/76/48/74/569764874.db2.gz HPSMZUQBUXKCGF-MHZLTWQESA-N 0 1 499.586 5.187 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036342125 569765493 /nfs/dbraw/zinc/76/54/93/569765493.db2.gz LKFKBIOFDUBFKV-XMMPIXPASA-N 0 1 481.612 5.500 50 0 JKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343810 569766558 /nfs/dbraw/zinc/76/65/58/569766558.db2.gz JQLKOLHCDOJJEU-LJAQVGFWSA-N 0 1 486.059 6.281 50 0 JKAAMN COc1ccc(OC)c([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036344342 569766884 /nfs/dbraw/zinc/76/68/84/569766884.db2.gz XOGLXGBTOYRBBC-GDLZYMKVSA-N 0 1 497.639 5.336 50 0 JKAAMN COc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344586 569767147 /nfs/dbraw/zinc/76/71/47/569767147.db2.gz LMRJTSBVQJRKEK-HKBQPEDESA-N 0 1 495.667 5.944 50 0 JKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344918 569767473 /nfs/dbraw/zinc/76/74/73/569767473.db2.gz RFZJSKWJXKOXRM-SSEXGKCCSA-N 0 1 481.640 5.636 50 0 JKAAMN COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345157 569767700 /nfs/dbraw/zinc/76/77/00/569767700.db2.gz UITKWYCRLLOMQA-LJAQVGFWSA-N 0 1 497.639 5.336 50 0 JKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345769 569768159 /nfs/dbraw/zinc/76/81/59/569768159.db2.gz BBDPNPWPHFQPJK-HKBQPEDESA-N 0 1 495.667 5.944 50 0 JKAAMN Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036345720 569768186 /nfs/dbraw/zinc/76/81/86/569768186.db2.gz NILVLUBJZKDYER-GDLZYMKVSA-N 0 1 469.604 5.767 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036345800 569768238 /nfs/dbraw/zinc/76/82/38/569768238.db2.gz RTSOXBRVGHZHTN-HSZRJFAPSA-N 0 1 469.601 5.362 50 0 JKAAMN COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036345695 569768271 /nfs/dbraw/zinc/76/82/71/569768271.db2.gz KPGKMYBSZSOQLB-HKBQPEDESA-N 0 1 495.667 5.944 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)c1ccccc1)C(C)C ZINC000036345852 569768330 /nfs/dbraw/zinc/76/83/30/569768330.db2.gz BVOPHELQAZEIRI-MUUNZHRXSA-N 0 1 455.602 6.225 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COCc1ccccc1)C(C)C ZINC000036345855 569768354 /nfs/dbraw/zinc/76/83/54/569768354.db2.gz VNBVEVACDICEKP-NDEPHWFRSA-N 0 1 499.655 6.070 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)c1ccccc1 ZINC000036345908 569768430 /nfs/dbraw/zinc/76/84/30/569768430.db2.gz LSMXQIANMUILMV-MUUNZHRXSA-N 0 1 455.602 6.227 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036345911 569768603 /nfs/dbraw/zinc/76/86/03/569768603.db2.gz NJYNMSBGHMGZIV-NDEPHWFRSA-N 0 1 499.655 6.071 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036345949 569768680 /nfs/dbraw/zinc/76/86/80/569768680.db2.gz RYSVLAXRSDLODX-VWLOTQADSA-N 0 1 477.649 5.669 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036345941 569768697 /nfs/dbraw/zinc/76/86/97/569768697.db2.gz KNRAFISEBOJZQW-VWLOTQADSA-N 0 1 463.622 5.279 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036346060 569768770 /nfs/dbraw/zinc/76/87/70/569768770.db2.gz HEIDMPYZRQGRMS-HSZRJFAPSA-N 0 1 469.601 5.358 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346067 569768806 /nfs/dbraw/zinc/76/88/06/569768806.db2.gz DOCVRMWVNURADV-QFIPXVFZSA-N 0 1 469.601 5.500 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccco3)C2)cc1OC ZINC000100750379 569768857 /nfs/dbraw/zinc/76/88/57/569768857.db2.gz RYOHQUMVBIBPHS-CLYVBNDRSA-N 0 1 458.514 5.867 50 0 biogenic JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036346342 569769477 /nfs/dbraw/zinc/76/94/77/569769477.db2.gz VIULAZBSMAEKOM-SANMLTNESA-N 0 1 471.576 5.680 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346303 569769480 /nfs/dbraw/zinc/76/94/80/569769480.db2.gz CYVGNVBGJNGUTO-QHCPKHFHSA-N 0 1 469.601 5.499 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346593 569770017 /nfs/dbraw/zinc/77/00/17/569770017.db2.gz GBHUHIMWJASHOS-HSZRJFAPSA-N 0 1 487.591 5.639 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)c1ccccc1)C(C)C ZINC000036346636 569770331 /nfs/dbraw/zinc/77/03/31/569770331.db2.gz UDHQKCMABXASSS-HHHXNRCGSA-N 0 1 477.555 6.195 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346655 569770334 /nfs/dbraw/zinc/77/03/34/569770334.db2.gz LXACEASVEDFNSR-DEOSSOPVSA-N 0 1 487.591 5.497 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)c1ccccc1)C(C)C ZINC000036346635 569770337 /nfs/dbraw/zinc/77/03/37/569770337.db2.gz UDHQKCMABXASSS-MHZLTWQESA-N 0 1 477.555 6.195 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346651 569770362 /nfs/dbraw/zinc/77/03/62/569770362.db2.gz KMTZRCANRMIKGI-QHCPKHFHSA-N 0 1 473.564 5.249 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)COC(C)C)C(C)C ZINC000036346638 569770387 /nfs/dbraw/zinc/77/03/87/569770387.db2.gz VYIZGCSNSZCAFX-HSZRJFAPSA-N 0 1 473.564 5.248 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036346722 569770529 /nfs/dbraw/zinc/77/05/29/569770529.db2.gz KIUWBHZQVJGARZ-SANMLTNESA-N 0 1 489.566 5.819 50 0 JKAAMN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346810 569770754 /nfs/dbraw/zinc/77/07/54/569770754.db2.gz KIWLJXMOGOOHCN-HHHXNRCGSA-N 0 1 483.656 6.741 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036346751 569770795 /nfs/dbraw/zinc/77/07/95/569770795.db2.gz CPTROJWXDUICOO-DEOSSOPVSA-N 0 1 487.591 5.497 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036346746 569770826 /nfs/dbraw/zinc/77/08/26/569770826.db2.gz CKXMLGAWMWUXSL-HSZRJFAPSA-N 0 1 473.564 5.249 50 0 JKAAMN COc1cccc([C@@H]2c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100949245 569777557 /nfs/dbraw/zinc/77/75/57/569777557.db2.gz JAKSDEKBLIRJKK-BDTNDASRSA-N 0 1 469.324 5.053 50 0 JKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000101087815 569781986 /nfs/dbraw/zinc/78/19/86/569781986.db2.gz LSOWSSNQULASJV-ZRBLBEILSA-N 0 1 499.350 5.062 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101142325 569784414 /nfs/dbraw/zinc/78/44/14/569784414.db2.gz TWAUFHMPHXIOKH-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101142325 569784416 /nfs/dbraw/zinc/78/44/16/569784416.db2.gz TWAUFHMPHXIOKH-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3ccc(Br)o3)ccc2nc2c1CCCC2 ZINC000101193479 569786793 /nfs/dbraw/zinc/78/67/93/569786793.db2.gz ZIZOKBPCUGZMIV-UHFFFAOYSA-N 0 1 492.373 6.474 50 0 JKAAMN COc1ccccc1CN1CCC(N(C(=O)c2cccc(Cl)c2)c2ccc(F)cc2)CC1 ZINC000037559952 569795570 /nfs/dbraw/zinc/79/55/70/569795570.db2.gz CWOBMBLPTVIFBT-UHFFFAOYSA-N 0 1 452.957 5.799 50 0 JKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000037570527 569795659 /nfs/dbraw/zinc/79/56/59/569795659.db2.gz FAHFPHFGGQWJMS-UHFFFAOYSA-N 0 1 452.957 5.799 50 0 JKAAMN COc1cc(CN2CCC(N(C(=O)c3ccccc3OC)c3cccc(C)c3)CC2)cc(OC)c1 ZINC000037560858 569795701 /nfs/dbraw/zinc/79/57/01/569795701.db2.gz FHJOVZJYYSMBJW-UHFFFAOYSA-N 0 1 474.601 5.332 50 0 JKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000037570666 569795746 /nfs/dbraw/zinc/79/57/46/569795746.db2.gz BEQAATCNUFAIOH-UHFFFAOYSA-N 0 1 452.957 5.799 50 0 JKAAMN COc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570681 569795915 /nfs/dbraw/zinc/79/59/15/569795915.db2.gz WTGJKUCDZUQMFG-UHFFFAOYSA-N 0 1 464.631 5.172 50 0 JKAAMN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037572253 569795929 /nfs/dbraw/zinc/79/59/29/569795929.db2.gz MFKDDQXJTKGQLG-UHFFFAOYSA-N 0 1 452.595 5.302 50 0 JKAAMN COc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000037572267 569796015 /nfs/dbraw/zinc/79/60/15/569796015.db2.gz SPEPCRRWGGOHMR-UHFFFAOYSA-N 0 1 468.594 5.003 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccnc1 ZINC000101395986 569796164 /nfs/dbraw/zinc/79/61/64/569796164.db2.gz RWEXTGKKDCBDJB-KPURRNSFSA-N 0 1 465.597 6.949 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccnc1 ZINC000101395984 569796180 /nfs/dbraw/zinc/79/61/80/569796180.db2.gz RWEXTGKKDCBDJB-PZGXJGMVSA-N 0 1 465.597 6.949 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@@H]3c2cccs2)cc1 ZINC000101397890 569796315 /nfs/dbraw/zinc/79/63/15/569796315.db2.gz ARRPKFNIJJIOLD-UZTOHYMASA-N 0 1 456.611 7.226 50 0 JKAAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101413219 569797226 /nfs/dbraw/zinc/79/72/26/569797226.db2.gz NHXSVZUBFZGBBR-JHOBJCJYSA-N 0 1 478.592 6.964 50 0 JKAAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101413226 569797237 /nfs/dbraw/zinc/79/72/37/569797237.db2.gz NHXSVZUBFZGBBR-WVXBCFDCSA-N 0 1 478.592 6.964 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101450679 569797803 /nfs/dbraw/zinc/79/78/03/569797803.db2.gz BKBUFVXDVCDGQC-PIIWDFAUSA-N 0 1 456.517 6.404 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101450675 569797811 /nfs/dbraw/zinc/79/78/11/569797811.db2.gz BKBUFVXDVCDGQC-WTYVLRPYSA-N 0 1 456.517 6.404 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101462785 569798486 /nfs/dbraw/zinc/79/84/86/569798486.db2.gz PDQQYUJKMNUPKN-KCWXNJEJSA-N 0 1 482.555 6.794 50 0 JKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3F)C2)cc1 ZINC000101469556 569798856 /nfs/dbraw/zinc/79/88/56/569798856.db2.gz FPYYQBPCNSWULV-QYBDOPJKSA-N 0 1 494.488 7.247 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101483395 569799309 /nfs/dbraw/zinc/79/93/09/569799309.db2.gz PNXHEHGDFVTLPT-PPHZAIPVSA-N 0 1 460.936 7.049 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101483397 569799327 /nfs/dbraw/zinc/79/93/27/569799327.db2.gz PNXHEHGDFVTLPT-WINIVTDRSA-N 0 1 460.936 7.049 50 0 JKAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000101495654 569800623 /nfs/dbraw/zinc/80/06/23/569800623.db2.gz ZDQCGHNVVRNFRT-LJQANCHMSA-N 0 1 481.986 5.304 50 0 JKAAMN CCOc1ccc(NC(=O)c2sc(N3N=C(C)C(Cc4ccc(C)cc4)C3=O)nc2C)cc1 ZINC000101505705 569801141 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O[C@H](Cc1ccccc1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982673 569848002 /nfs/dbraw/zinc/84/80/02/569848002.db2.gz PBULCHJEXISDOL-JWQCQUIFSA-N 0 1 452.957 5.078 50 0 JKAAMN O[C@@H](COc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983738 569848341 /nfs/dbraw/zinc/84/83/41/569848341.db2.gz ZOVLEOYLRJQEPK-FYYLOGMGSA-N 0 1 485.411 5.429 50 0 JKAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984383 569848524 /nfs/dbraw/zinc/84/85/24/569848524.db2.gz FJQSLRIQSZZVLE-IZZNHLLZSA-N 0 1 482.983 5.052 50 0 JKAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984388 569848569 /nfs/dbraw/zinc/84/85/69/569848569.db2.gz FJQSLRIQSZZVLE-CLJLJLNGSA-N 0 1 482.983 5.052 50 0 JKAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985070 569848673 /nfs/dbraw/zinc/84/86/73/569848673.db2.gz JFRHLXCIJCHXCV-ISKFKSNPSA-N 0 1 489.399 5.159 50 0 JKAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104984700 569848783 /nfs/dbraw/zinc/84/87/83/569848783.db2.gz JNOZFAKXYZWQKI-AZGAKELHSA-N 0 1 495.019 5.092 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000106535033 569854251 /nfs/dbraw/zinc/85/42/51/569854251.db2.gz WUUTTWOYDXMEST-AQWTWLKTSA-N 0 1 482.967 5.292 50 0 JKAAMN O=S1(=O)c2ccccc2-c2cc(-c3nc(C4=CN[C@H]5C=CC=C[C@H]45)[nH]c3-c3ccccc3)ccc21 ZINC000109965938 569860651 /nfs/dbraw/zinc/86/06/51/569860651.db2.gz CTJPYZIQUGFRFM-YKSBVNFPSA-N 0 1 475.573 5.612 50 0 JKAAMN CC(O)=CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915795 569863065 /nfs/dbraw/zinc/86/30/65/569863065.db2.gz OUVBVUVUDJWLQL-OPGMDCAGSA-N 0 1 472.754 7.999 50 0 JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)[nH]c2c1 ZINC000118915780 569863069 /nfs/dbraw/zinc/86/30/69/569863069.db2.gz YBTASYSZWGVCAL-PYAQVZDUSA-N 0 1 478.721 6.431 50 0 JKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137643003 569865099 /nfs/dbraw/zinc/86/50/99/569865099.db2.gz RHKJBKFWHYYCKC-OYUWMTPXSA-N 0 1 486.568 5.315 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137643003 569865100 /nfs/dbraw/zinc/86/51/00/569865100.db2.gz RHKJBKFWHYYCKC-OYUWMTPXSA-N 0 1 486.568 5.315 50 0 JKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000137680593 569865180 /nfs/dbraw/zinc/86/51/80/569865180.db2.gz LSOWSSNQULASJV-YTFSRNRJSA-N 0 1 499.350 5.062 50 0 JKAAMN Cc1nc2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]43)cc2[nH]1 ZINC000217849668 569881823 /nfs/dbraw/zinc/88/18/23/569881823.db2.gz RYFFOTUTDJJEOQ-MHZLTWQESA-N 0 1 493.567 5.185 50 0 biogenic JKAAMN COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)N2CCc3ccccc3C2)cc1 ZINC000226758390 570038387 /nfs/dbraw/zinc/03/83/87/570038387.db2.gz SCMIJOJMKPHWJF-DEOSSOPVSA-N 0 1 450.376 5.830 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000226838736 570038795 /nfs/dbraw/zinc/03/87/95/570038795.db2.gz UOCPEYAAYOJILM-FQJHJXCSSA-N 0 1 486.930 5.041 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000226842628 570038978 /nfs/dbraw/zinc/03/89/78/570038978.db2.gz KSVSTAIYMSQLPT-RBZQAINGSA-N 0 1 495.406 6.342 50 0 JKAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccc(Br)cc3)c(O)c2ON1c1ccccc1 ZINC000226863597 570039162 /nfs/dbraw/zinc/03/91/62/570039162.db2.gz TUOGVVHZFULDKU-FBEWHJACSA-N 0 1 471.395 5.344 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226919430 570039290 /nfs/dbraw/zinc/03/92/90/570039290.db2.gz MMWXNOTWBPHFDY-OYUWMTPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226919430 570039292 /nfs/dbraw/zinc/03/92/92/570039292.db2.gz MMWXNOTWBPHFDY-OYUWMTPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227305028 570040355 /nfs/dbraw/zinc/04/03/55/570040355.db2.gz VZKAIMHIEHYSMG-WCUAIIBCSA-N 0 1 494.566 5.340 50 0 JKAAMN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C1=O ZINC000229985074 570043042 /nfs/dbraw/zinc/04/30/42/570043042.db2.gz MCHXRCKPXYDWTL-RBZQAINGSA-N 0 1 469.928 5.248 50 0 JKAAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc5ccccc5nc4Cl)[C@@H]3C2=O)cc1 ZINC000229980385 570043052 /nfs/dbraw/zinc/04/30/52/570043052.db2.gz ZQMYTSYIOLXNNG-RBZQAINGSA-N 0 1 469.928 5.248 50 0 JKAAMN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cn(C)c5ccccc45)[C@@H]3C2=O)cc1 ZINC000229989861 570043176 /nfs/dbraw/zinc/04/31/76/570043176.db2.gz DEHFZJUHONNBRJ-OYUWMTPXSA-N 0 1 481.552 5.018 50 0 JKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000230156974 570046107 /nfs/dbraw/zinc/04/61/07/570046107.db2.gz MIEOGAKZEZQIJG-YTMVLYRLSA-N 0 1 485.031 5.304 50 0 biogenic JKAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000239297016 570050305 /nfs/dbraw/zinc/05/03/05/570050305.db2.gz DOMKDVRQFVLOLZ-TTZMFTMZSA-N 0 1 491.381 5.255 50 0 JKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000239338967 570050986 /nfs/dbraw/zinc/05/09/86/570050986.db2.gz LMVBGQWMUPPPGU-CKIYMEHHSA-N 0 1 490.559 5.458 50 0 JKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000239338967 570050987 /nfs/dbraw/zinc/05/09/87/570050987.db2.gz LMVBGQWMUPPPGU-CKIYMEHHSA-N 0 1 490.559 5.458 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000239432939 570052099 /nfs/dbraw/zinc/05/20/99/570052099.db2.gz WYEYBWIORLZCAK-UWPQIUOOSA-N 0 1 464.496 5.199 50 0 JKAAMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000239432939 570052101 /nfs/dbraw/zinc/05/21/01/570052101.db2.gz WYEYBWIORLZCAK-UWPQIUOOSA-N 0 1 464.496 5.199 50 0 JKAAMN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000244986104 570054399 /nfs/dbraw/zinc/05/43/99/570054399.db2.gz JGFLECXFWFTLKV-GOSISDBHSA-N 0 1 494.989 5.186 50 0 JKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239795 570057895 /nfs/dbraw/zinc/05/78/95/570057895.db2.gz DIVYKISDVGEKFS-JLMYGFKKSA-N 0 1 492.556 5.197 50 0 JKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239795 570057897 /nfs/dbraw/zinc/05/78/97/570057897.db2.gz DIVYKISDVGEKFS-JLMYGFKKSA-N 0 1 492.556 5.197 50 0 JKAAMN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000245242238 570058804 /nfs/dbraw/zinc/05/88/04/570058804.db2.gz PAOUSIQTYVKBIL-HRHHFINDSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000245242238 570058805 /nfs/dbraw/zinc/05/88/05/570058805.db2.gz PAOUSIQTYVKBIL-HRHHFINDSA-N 0 1 476.532 5.068 50 0 JKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247558 570059413 /nfs/dbraw/zinc/05/94/13/570059413.db2.gz VZKAIMHIEHYSMG-KFZSMJGVSA-N 0 1 494.566 5.340 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1cccnc1)[C@@]21c2ccccc2NC1=O ZINC000245312267 570063761 /nfs/dbraw/zinc/06/37/61/570063761.db2.gz SIIKHIDEESCFAH-GURVGDRESA-N 0 1 491.591 5.060 50 0 JKAAMN CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248249904 570076726 /nfs/dbraw/zinc/07/67/26/570076726.db2.gz RYFZSHRMILLWDS-LSYYVWMOSA-N 0 1 462.584 5.979 50 0 JKAAMN COc1cccc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248249850 570076781 /nfs/dbraw/zinc/07/67/81/570076781.db2.gz OQZHOFIAJOWLSA-OZXSUGGESA-N 0 1 457.058 5.705 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000248257493 570076897 /nfs/dbraw/zinc/07/68/97/570076897.db2.gz LGTRHQZPAVTYED-SODQHWRNSA-N 0 1 480.564 5.258 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000248257493 570076899 /nfs/dbraw/zinc/07/68/99/570076899.db2.gz LGTRHQZPAVTYED-SODQHWRNSA-N 0 1 480.564 5.258 50 0 JKAAMN c1ccc(CN2[C@H](c3ccccc3)C(c3ccccc3)(c3ccccc3)S[C@H]2c2ccccc2)cc1 ZINC000252620189 570087204 /nfs/dbraw/zinc/08/72/04/570087204.db2.gz LZBMMFQTIDLMFA-SAIUNTKASA-N 0 1 483.680 8.619 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)[nH]c2c1 ZINC000252624388 570088077 /nfs/dbraw/zinc/08/80/77/570088077.db2.gz PNDIQIYGAYXTNR-HBDNMEJGSA-N 0 1 462.722 7.460 50 0 JKAAMN Cc1ccc2c(c1)NC(C)(C)c1ssc(=Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c1-2 ZINC000252673319 570092973 /nfs/dbraw/zinc/09/29/73/570092973.db2.gz QZJOPTKIWBQOPS-UHFFFAOYSA-N 0 1 495.655 5.269 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000253386456 570095251 /nfs/dbraw/zinc/09/52/51/570095251.db2.gz WUUTTWOYDXMEST-GSTLAZBSSA-N 0 1 482.967 5.292 50 0 JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000253403042 570096890 /nfs/dbraw/zinc/09/68/90/570096890.db2.gz GWSKIJJDNWRUHG-GOSISDBHSA-N 0 1 472.880 5.688 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000253410173 570097504 /nfs/dbraw/zinc/09/75/04/570097504.db2.gz MXHMSSXPBFHUFL-MRXNPFEDSA-N 0 1 476.868 5.031 50 0 biogenic JKAAMN CC(O)=CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3CC[C@H]2C1 ZINC000253532421 570103178 /nfs/dbraw/zinc/10/31/78/570103178.db2.gz OUVBVUVUDJWLQL-HNCAJKHSSA-N 0 1 472.754 7.999 50 0 JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@]43C)[nH]c2c1 ZINC000253532441 570103204 /nfs/dbraw/zinc/10/32/04/570103204.db2.gz YBTASYSZWGVCAL-CXRNGSKHSA-N 0 1 478.721 6.431 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@@]43C)[nH]c2c1 ZINC000253532443 570103213 /nfs/dbraw/zinc/10/32/13/570103213.db2.gz YBTASYSZWGVCAL-VZSOYWFDSA-N 0 1 478.721 6.431 50 0 JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)[nH]c2c1 ZINC000253614985 570104813 /nfs/dbraw/zinc/10/48/13/570104813.db2.gz PNDIQIYGAYXTNR-QYEKUDMFSA-N 0 1 462.722 7.460 50 0 JKAAMN CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)cc1 ZINC000334163304 570185141 /nfs/dbraw/zinc/18/51/41/570185141.db2.gz NZJDPZWFAIPCAA-OAQYLSRUSA-N 0 1 465.962 5.865 50 0 JKAAMN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000407947193 570185724 /nfs/dbraw/zinc/18/57/24/570185724.db2.gz FEMFJOGAPTXKLR-UHFFFAOYSA-N 0 1 482.915 5.356 50 0 JKAAMN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000001024699 194004829 /nfs/dbraw/zinc/00/48/29/194004829.db2.gz BWQDQUNPPOVYQA-UHFFFAOYSA-N 0 1 493.006 5.194 50 0 JKAAMN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001027046 194005247 /nfs/dbraw/zinc/00/52/47/194005247.db2.gz SAXLACFYDTTZAD-UHFFFAOYSA-N 0 1 491.896 5.800 50 0 JKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3cscc3-c3ccccc3)cc2)n1 ZINC000001033523 194006679 /nfs/dbraw/zinc/00/66/79/194006679.db2.gz SDGNMXKIUHCEII-UHFFFAOYSA-N 0 1 479.587 5.267 50 0 JKAAMN Cc1ccc(-n2cc(-c3cccs3)nc2SCc2n[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000001036506 194007202 /nfs/dbraw/zinc/00/72/02/194007202.db2.gz UOOZPOVBKGMJKP-UHFFFAOYSA-N 0 1 479.631 6.584 50 0 JKAAMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1OC ZINC000001040728 194008174 /nfs/dbraw/zinc/00/81/74/194008174.db2.gz YPBMBIJWYMAVLS-UHFFFAOYSA-N 0 1 454.331 5.604 50 0 JKAAMN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001044859 194008419 /nfs/dbraw/zinc/00/84/19/194008419.db2.gz JSVTWHAZHCTUOO-UHFFFAOYSA-N 0 1 493.412 6.571 50 0 JKAAMN Cn1cc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21 ZINC000001065166 194013771 /nfs/dbraw/zinc/01/37/71/194013771.db2.gz GTIMHWQAGLUSOG-INIZCTEOSA-N 0 1 452.190 5.222 50 0 JKAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)c1 ZINC000001066358 194014493 /nfs/dbraw/zinc/01/44/93/194014493.db2.gz NPKBKRGEJCNASL-UHFFFAOYSA-N 0 1 497.060 5.853 50 0 JKAAMN CC1=NC(=O)N[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1C(=O)OCc1ccccc1 ZINC000001079044 194019742 /nfs/dbraw/zinc/01/97/42/194019742.db2.gz YHZFSZLKBLQPLM-SANMLTNESA-N 0 1 498.970 5.564 50 0 JKAAMN CC[C@H](C)c1ccc([C@H](CC)NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000001118667 194031870 /nfs/dbraw/zinc/03/18/70/194031870.db2.gz HOWHWLVGOWOWGV-JTSKRJEESA-N 0 1 483.663 5.229 50 0 JKAAMN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000001123707 194035227 /nfs/dbraw/zinc/03/52/27/194035227.db2.gz GJHRTBDDFJWFJX-VMPITWQZSA-N 0 1 484.331 5.082 50 0 JKAAMN Cc1ccccc1N1C(=O)NC(=O)[C@@](CCc2ccccn2)(Cc2c(Cl)cccc2Cl)C1=O ZINC000001128944 194038050 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452.535 6.046 50 0 JKAAMN CC12CN(Cc3ccc(Br)cc3)CC(C)(CN(Cc3ccc(Br)cc3)C1)C2 ZINC000001788191 194140705 /nfs/dbraw/zinc/14/07/05/194140705.db2.gz HHRVGZOFJQOMLV-UHFFFAOYSA-N 0 1 492.299 5.946 50 0 JKAAMN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc(Cl)ccc1O ZINC000001895087 194153373 /nfs/dbraw/zinc/15/33/73/194153373.db2.gz KTBDYEIBOIKPMY-UHFFFAOYSA-N 0 1 458.728 7.550 50 0 JKAAMN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1OC ZINC000002919355 194169484 /nfs/dbraw/zinc/16/94/84/194169484.db2.gz RBWOSEQEAWMSNF-UHFFFAOYSA-N 0 1 479.573 5.085 50 0 JKAAMN Cc1[nH+]c2c(cc(C)c(C)c2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1Cc1cccc(C)c1 ZINC000003133393 194230103 /nfs/dbraw/zinc/23/01/03/194230103.db2.gz KNTDEYHTOWFBSR-UHFFFAOYSA-N 0 1 475.658 6.417 50 0 JKAAMN O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)N1c2ccccc2CCc2ccccc21 ZINC000003172973 194234338 /nfs/dbraw/zinc/23/43/38/194234338.db2.gz FEBCVHVPARBEOL-UHFFFAOYSA-N 0 1 488.996 6.218 50 0 JKAAMN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)[C@H](c3cccs3)N3CCCC3)cc12 ZINC000003265092 194256315 /nfs/dbraw/zinc/25/63/15/194256315.db2.gz MOBKIYYHKOUDGL-KSFYIVLOSA-N 0 1 485.078 6.066 50 0 JKAAMN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)[C@@H](c3cccs3)N3CCCC3)cc12 ZINC000003265071 194256323 /nfs/dbraw/zinc/25/63/23/194256323.db2.gz QRDDWUOPKONADD-AOMKIAJQSA-N 0 1 485.078 6.066 50 0 JKAAMN CC[N@@H+](Cn1c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2oc1=S)C1CCCCC1 ZINC000003268755 194257513 /nfs/dbraw/zinc/25/75/13/194257513.db2.gz LIOGVGRWVIHKAD-UHFFFAOYSA-N 0 1 475.636 5.385 50 0 JKAAMN O=C(c1cnn(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1)c1ccccc1O ZINC000003348810 194295177 /nfs/dbraw/zinc/29/51/77/194295177.db2.gz MWAYOPFDXIHKNG-UHFFFAOYSA-N 0 1 471.563 5.410 50 0 JKAAMN COC(=O)[C@](NC(=O)Nc1ccc(OC(F)(F)F)cc1)(Nc1cccc(C)c1Cl)C(F)(F)F ZINC000003619695 194341732 /nfs/dbraw/zinc/34/17/32/194341732.db2.gz GXTXXLGHRWRHOC-QGZVFWFLSA-N 0 1 499.795 5.212 50 0 JKAAMN COc1cc(Br)c(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OC 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Cc1ccccc1C=Cc1n[nH]c(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 ZINC000012845828 195152131 /nfs/dbraw/zinc/15/21/31/195152131.db2.gz CWMKIJIOQFTPOR-KBZZJAQTSA-N 0 1 497.624 5.505 50 0 JKAAMN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(Cc2nc(-c3ccccc3C)no2)CC1 ZINC000012854456 195156562 /nfs/dbraw/zinc/15/65/62/195156562.db2.gz KCWCBYNJBKFKGS-HSZRJFAPSA-N 0 1 451.542 5.133 50 0 JKAAMN CC(C)c1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C(C)C)cc3)C2O)cc1 ZINC000012856551 195157823 /nfs/dbraw/zinc/15/78/23/195157823.db2.gz JBRSKCVIBUOUOV-GFTXTJKWSA-N 0 1 451.654 7.277 50 0 JKAAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012857641 195158495 /nfs/dbraw/zinc/15/84/95/195158495.db2.gz YGYOISJTPRVFIG-VKJYCEFSSA-N 0 1 470.879 5.906 50 0 JKAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020729640 195209617 /nfs/dbraw/zinc/20/96/17/195209617.db2.gz FBMTVBKUBIJDPY-XMMPIXPASA-N 0 1 478.390 5.027 50 0 JKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NC2CCC(C)CC2)CC1 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CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000011818615 555831192 /nfs/dbraw/zinc/83/11/92/555831192.db2.gz NMFCNGLXUZYSEV-UHFFFAOYSA-N 0 1 465.512 5.111 50 0 JKAAMN CSc1ccc([C@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000011859573 555838950 /nfs/dbraw/zinc/83/89/50/555838950.db2.gz POLMJDIEAXQIPX-FSSWDIPSSA-N 0 1 484.499 5.478 50 0 JKAAMN Cc1ccc(-c2cc(C(F)F)nc3sc4c([nH]c(-c5ccc(OC(F)F)cc5)nc4=O)c32)cc1 ZINC000020602360 555843423 /nfs/dbraw/zinc/84/34/23/555843423.db2.gz KIYVSLBBOGHQDT-UHFFFAOYSA-N 0 1 485.462 6.714 50 0 JKAAMN COc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(Cc4cccc(F)c4)CC3)ccc2o1 ZINC000015000440 555845137 /nfs/dbraw/zinc/84/51/37/555845137.db2.gz JOKHQYQHQBSKOK-UHFFFAOYSA-N 0 1 474.532 5.316 50 0 JKAAMN CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4ccccc4C(F)(F)F)c3)nn2)CC1 ZINC000020604363 555845222 /nfs/dbraw/zinc/84/52/22/555845222.db2.gz OOPLMLXQMVFYLU-UHFFFAOYSA-N 0 1 476.524 5.200 50 0 JKAAMN O=C(CC1CCCC1)Nc1cccc(N2CCC(NCc3cc(-c4ccccc4)on3)CC2)c1 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1 498.092 5.212 50 0 JKAAMN COc1cccc(OC)c1CN1CCC([C@H](Cc2ccccc2Cl)N(C)C(=O)c2ccco2)CC1 ZINC000012041787 555894463 /nfs/dbraw/zinc/89/44/63/555894463.db2.gz AFGFUCPXPWSBFV-DEOSSOPVSA-N 0 1 497.035 5.546 50 0 JKAAMN COc1cc2cc(CNCc3ccc(Cl)cc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012056380 555898853 /nfs/dbraw/zinc/89/88/53/555898853.db2.gz XOGNCCHJLRWJOV-UHFFFAOYSA-N 0 1 454.998 5.542 50 0 JKAAMN Cc1ccc(CN2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCc2cccc(F)c2)cc1 ZINC000012098421 555905496 /nfs/dbraw/zinc/90/54/96/555905496.db2.gz LZJQMBAEBLQLIZ-OZXSUGGESA-N 0 1 488.632 5.105 50 0 JKAAMN CC[C@H](NC(=O)CC[C@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1)c1nc2ccc(C)cc2[nH]1 ZINC000012150436 555922545 /nfs/dbraw/zinc/92/25/45/555922545.db2.gz GWTKZQYNYFEZNF-YUDQIZAISA-N 0 1 498.627 5.272 50 0 JKAAMN COc1ccc(CN2CCC(c3ncncc3-c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1OC ZINC000012161307 555931009 /nfs/dbraw/zinc/93/10/09/555931009.db2.gz RIICFGWPSQSSBN-UHFFFAOYSA-N 0 1 491.941 6.213 50 0 JKAAMN 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JKAAMN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc1OC ZINC000025142810 556181841 /nfs/dbraw/zinc/18/18/41/556181841.db2.gz DTCDDYGKAMDXMH-UHFFFAOYSA-N 0 1 481.474 5.710 50 0 JKAAMN O=C(NCCSCc1ccco1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025147166 556185943 /nfs/dbraw/zinc/18/59/43/556185943.db2.gz UVBQLLPBBWGLBT-UHFFFAOYSA-N 0 1 453.567 6.153 50 0 JKAAMN [O-][C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957668 556188866 /nfs/dbraw/zinc/18/88/66/556188866.db2.gz JUNXAMYJJQYKDH-CXAGYDPISA-N 0 1 460.319 5.580 50 0 JKAAMN [O-][C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957673 556188878 /nfs/dbraw/zinc/18/88/78/556188878.db2.gz JUNXAMYJJQYKDH-GUYCJALGSA-N 0 1 460.319 5.580 50 0 JKAAMN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3n[nH]c4c3CCCc3ccccc3-4)cc1)CC2 ZINC000025150831 556191481 /nfs/dbraw/zinc/19/14/81/556191481.db2.gz XZEZINAEARNNAU-UHFFFAOYSA-N 0 1 479.580 5.448 50 0 JKAAMN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)cc1OC ZINC000025155019 556196034 /nfs/dbraw/zinc/19/60/34/556196034.db2.gz DEFGTBXDDDNYJC-UHFFFAOYSA-N 0 1 463.537 5.844 50 0 JKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)c1ccc(Br)cc1 ZINC000025157960 556198152 /nfs/dbraw/zinc/19/81/52/556198152.db2.gz WJVFDNFNYZIWNZ-GOSISDBHSA-N 0 1 496.408 7.150 50 0 JKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)c1ccc(Br)cc1 ZINC000025157965 556198223 /nfs/dbraw/zinc/19/82/23/556198223.db2.gz WJVFDNFNYZIWNZ-SFHVURJKSA-N 0 1 496.408 7.150 50 0 JKAAMN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025164732 556201598 /nfs/dbraw/zinc/20/15/98/556201598.db2.gz JKBHFQHGTWAEJR-WJOKGBTCSA-N 0 1 493.610 7.611 50 0 JKAAMN O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000025173430 556202325 /nfs/dbraw/zinc/20/23/25/556202325.db2.gz SZPVYFHTFGYMLF-DEOSSOPVSA-N 0 1 492.804 5.537 50 0 JKAAMN O=C(NCCc1cnc[nH]1)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000025186134 556204437 /nfs/dbraw/zinc/20/44/37/556204437.db2.gz CJDKUROMNZOQLD-UHFFFAOYSA-N 0 1 474.977 5.012 50 0 JKAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017026563 556206565 /nfs/dbraw/zinc/20/65/65/556206565.db2.gz ALHXXAYYTSMQMQ-UHFFFAOYSA-N 0 1 475.574 5.390 50 0 JKAAMN Cc1ccc(C)n1CCN1CCN(C(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000025436764 556215691 /nfs/dbraw/zinc/21/56/91/556215691.db2.gz TYWOGAZVPFIIPW-UHFFFAOYSA-N 0 1 489.714 5.705 50 0 JKAAMN COc1cc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461336 556217061 /nfs/dbraw/zinc/21/70/61/556217061.db2.gz STSQQIFVGFWTEQ-UUOWRZLLSA-N 0 1 483.395 6.325 50 0 JKAAMN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)CN(C)C1CCCCC1 ZINC000013038806 556237691 /nfs/dbraw/zinc/23/76/91/556237691.db2.gz JJGMXCGHIBRPTR-UHFFFAOYSA-N 0 1 485.650 5.305 50 0 JKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2OC)s1 ZINC000017287585 556251109 /nfs/dbraw/zinc/25/11/09/556251109.db2.gz SNQJIDGWEUSVAW-UHFFFAOYSA-N 0 1 487.625 5.525 50 0 JKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000017287610 556251157 /nfs/dbraw/zinc/25/11/57/556251157.db2.gz QFUMDMODGQIUBE-UHFFFAOYSA-N 0 1 475.589 5.655 50 0 JKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2Cl)s1 ZINC000017287593 556251183 /nfs/dbraw/zinc/25/11/83/556251183.db2.gz XIIRYJKZMKUNAG-UHFFFAOYSA-N 0 1 492.044 6.169 50 0 JKAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1 ZINC000017315613 556257789 /nfs/dbraw/zinc/25/77/89/556257789.db2.gz UFIWAUJOYKIZNJ-UHFFFAOYSA-N 0 1 494.661 5.703 50 0 JKAAMN CSc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000017951819 556272551 /nfs/dbraw/zinc/27/25/51/556272551.db2.gz FPAWZWCFCCVLGZ-BDTNDASRSA-N 0 1 450.947 5.113 50 0 JKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000017991173 556274805 /nfs/dbraw/zinc/27/48/05/556274805.db2.gz UQKHXXIFTXJVDW-VSKRKVRLSA-N 0 1 453.325 5.353 50 0 JKAAMN CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018022874 556277592 /nfs/dbraw/zinc/27/75/92/556277592.db2.gz RSYSVVPXMQQROL-ZRBLBEILSA-N 0 1 467.352 5.607 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018045259 556279935 /nfs/dbraw/zinc/27/99/35/556279935.db2.gz MHVHYYNMBVRZLE-PFBJBMPXSA-N 0 1 486.568 5.234 50 0 JKAAMN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(C)c1 ZINC000013097188 556293186 /nfs/dbraw/zinc/29/31/86/556293186.db2.gz HMWFYBOSUZTVKF-UHFFFAOYSA-N 0 1 479.385 5.429 50 0 JKAAMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCCC1 ZINC000013097629 556294522 /nfs/dbraw/zinc/29/45/22/556294522.db2.gz KPWBLDHDXHEACS-HHHXNRCGSA-N 0 1 466.585 5.115 50 0 JKAAMN CSc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018154892 556295091 /nfs/dbraw/zinc/29/50/91/556295091.db2.gz POLMJDIEAXQIPX-BDTNDASRSA-N 0 1 484.499 5.478 50 0 JKAAMN CCC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)c(C(C)(C)CC)c1 ZINC000027571876 556298507 /nfs/dbraw/zinc/29/85/07/556298507.db2.gz KSSJRIHBMASSDK-SANMLTNESA-N 0 1 466.710 5.932 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1 ZINC000027579966 556299949 /nfs/dbraw/zinc/29/99/49/556299949.db2.gz KRDWBOUAWDQGPW-UHFFFAOYSA-N 0 1 484.483 6.417 50 0 JKAAMN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(OCC)cc3)on2)cc1 ZINC000027581255 556300141 /nfs/dbraw/zinc/30/01/41/556300141.db2.gz WDSHKRBIMLHGHH-UHFFFAOYSA-N 0 1 496.519 6.369 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1C ZINC000027580469 556300232 /nfs/dbraw/zinc/30/02/32/556300232.db2.gz LQKYRFOPNOZKGF-UHFFFAOYSA-N 0 1 468.484 6.635 50 0 JKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)no2)cc1C ZINC000027580473 556300236 /nfs/dbraw/zinc/30/02/36/556300236.db2.gz NZAQPUXVODJIQC-UHFFFAOYSA-N 0 1 454.457 6.327 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(F)cc3)no2)cc1 ZINC000027583254 556300469 /nfs/dbraw/zinc/30/04/69/556300469.db2.gz JFHQSSSIYRGVRW-UHFFFAOYSA-N 0 1 470.456 6.109 50 0 JKAAMN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000027584730 556300638 /nfs/dbraw/zinc/30/06/38/556300638.db2.gz IZLPGTMSBMWJIA-UHFFFAOYSA-N 0 1 471.900 6.554 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCCC2)cc1 ZINC000027662242 556301639 /nfs/dbraw/zinc/30/16/39/556301639.db2.gz NFIHBOXLQAQPCY-JOCHJYFZSA-N 0 1 485.422 5.859 50 0 JKAAMN Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c(Cc2cccc(C(C)C)c2)c1 ZINC000018194780 556301900 /nfs/dbraw/zinc/30/19/00/556301900.db2.gz SBYJQFRSJSOVJH-UHFFFAOYSA-N 0 1 477.453 7.004 50 0 JKAAMN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N2CCCCC2)cc1 ZINC000013110082 556311040 /nfs/dbraw/zinc/31/10/40/556311040.db2.gz IZEHDRRLTHUQDB-HSZRJFAPSA-N 0 1 498.048 5.619 50 0 JKAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000013110149 556311320 /nfs/dbraw/zinc/31/13/20/556311320.db2.gz WMBHAODMIBAQBU-UHFFFAOYSA-N 0 1 460.603 5.023 50 0 JKAAMN Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2cc1Cl ZINC000028289088 556328041 /nfs/dbraw/zinc/32/80/41/556328041.db2.gz AXFDWPGKAZEJEG-JOCHJYFZSA-N 0 1 467.009 5.619 50 0 JKAAMN Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2cc1Cl ZINC000028292695 556328894 /nfs/dbraw/zinc/32/88/94/556328894.db2.gz PIBXSHJKPDRTQB-QHCPKHFHSA-N 0 1 467.009 5.835 50 0 JKAAMN CC(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCCC2)cc1 ZINC000028293051 556329237 /nfs/dbraw/zinc/32/92/37/556329237.db2.gz XMANRUSWBXDBRO-JOCHJYFZSA-N 0 1 452.982 5.527 50 0 JKAAMN CCCCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2cc(C(=O)OC)oc2C)c(O)c1C ZINC000028629428 556337781 /nfs/dbraw/zinc/33/77/81/556337781.db2.gz IRORQNPTNFQBSK-UHFFFAOYSA-N 0 1 452.429 5.643 50 0 JKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)cc1 ZINC000013121728 556338692 /nfs/dbraw/zinc/33/86/92/556338692.db2.gz KOSUJWOGEMQQKB-UHFFFAOYSA-N 0 1 451.482 5.629 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2cccc(Cl)c2)cc1 ZINC000013121940 556338916 /nfs/dbraw/zinc/33/89/16/556338916.db2.gz TWRUFDHASJVGCE-RUZDIDTESA-N 0 1 459.933 5.232 50 0 aggregator JKAAMN CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)s2)cc1 ZINC000019317908 556340926 /nfs/dbraw/zinc/34/09/26/556340926.db2.gz PMLZITNBSZBOJU-QFIPXVFZSA-N 0 1 498.743 5.437 50 0 JKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)ccc21 ZINC000019369755 556346539 /nfs/dbraw/zinc/34/65/39/556346539.db2.gz CAWGAZOGNAWLPB-UHFFFAOYSA-N 0 1 473.617 5.158 50 0 JKAAMN Clc1ccc2c(c1)[C@@H](N1CCN(C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370928 556347008 /nfs/dbraw/zinc/34/70/08/556347008.db2.gz YZCDIXDREJEZKS-NDEPHWFRSA-N 0 1 497.107 7.496 50 0 JKAAMN CCOc1ccc2c(c1)sc(=S)n2CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019596672 556356494 /nfs/dbraw/zinc/35/64/94/556356494.db2.gz IWWRJEOZPANBGI-UHFFFAOYSA-N 0 1 475.683 6.196 50 0 JKAAMN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000013134777 556364291 /nfs/dbraw/zinc/36/42/91/556364291.db2.gz UDGXILNDWFNKLO-UHFFFAOYSA-N 0 1 499.017 5.761 50 0 JKAAMN CC1(C)C[C@@]2(CCCN(Cc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782239 556369639 /nfs/dbraw/zinc/36/96/39/556369639.db2.gz DJNATJHMUNFNFS-MUUNZHRXSA-N 0 1 461.650 5.366 50 0 biogenic JKAAMN COc1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000019810322 556380963 /nfs/dbraw/zinc/38/09/63/556380963.db2.gz YGUDVODUDKNORE-UHFFFAOYSA-N 0 1 478.636 6.181 50 0 JKAAMN O=C1c2ccccc2/C(=C\NC[C@@H](c2ccco2)N2CCCCCC2)C(=O)N1c1ccccc1 ZINC000019820061 556388918 /nfs/dbraw/zinc/38/89/18/556388918.db2.gz FHEUVLJUAKDWOG-POQGPQTDSA-N 0 1 455.558 5.014 50 0 JKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4cc(Cl)ccc42)CC3)cc1 ZINC000031814317 556407058 /nfs/dbraw/zinc/40/70/58/556407058.db2.gz FLBFTIOAQNADNG-OAQYLSRUSA-N 0 1 453.951 5.137 50 0 JKAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)cc1 ZINC000032622688 556452451 /nfs/dbraw/zinc/45/24/51/556452451.db2.gz OVXNRVVTFGUKHZ-DEOSSOPVSA-N 0 1 489.616 5.367 50 0 JKAAMN Cc1ccccc1-n1c2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c(=O)c2sc1=S ZINC000032948470 556563933 /nfs/dbraw/zinc/56/39/33/556563933.db2.gz CDZUDLZCENUMPV-UHFFFAOYSA-N 0 1 468.629 5.161 50 0 JKAAMN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1 ZINC000008586542 562940995 /nfs/dbraw/zinc/94/09/95/562940995.db2.gz QMNXLIZDHLXJIF-UHFFFAOYSA-N 0 1 470.456 6.027 50 0 JKAAMN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000008586537 562941024 /nfs/dbraw/zinc/94/10/24/562941024.db2.gz PQRZIDRNIYIZTM-UHFFFAOYSA-N 0 1 472.884 6.233 50 0 JKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008606574 562946824 /nfs/dbraw/zinc/94/68/24/562946824.db2.gz WJJOVPWGSOYCQP-NDEPHWFRSA-N 0 1 483.568 5.715 50 0 aggregator JKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008606573 562946849 /nfs/dbraw/zinc/94/68/49/562946849.db2.gz WJJOVPWGSOYCQP-MUUNZHRXSA-N 0 1 483.568 5.715 50 0 aggregator JKAAMN COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NCc2ccco2)cc1OC ZINC000008671787 562949651 /nfs/dbraw/zinc/94/96/51/562949651.db2.gz QBSRZRYVZKYGTE-UHFFFAOYSA-N 0 1 463.559 5.071 50 0 JKAAMN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008686914 562953112 /nfs/dbraw/zinc/95/31/12/562953112.db2.gz DVLMVJILWFSRPS-UHFFFAOYSA-N 0 1 476.529 5.554 50 0 aggregator JKAAMN COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000008686972 562953180 /nfs/dbraw/zinc/95/31/80/562953180.db2.gz VJHUYDLSNDDSJO-UHFFFAOYSA-N 0 1 479.583 5.180 50 0 aggregator JKAAMN CC[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000033972280 563111389 /nfs/dbraw/zinc/11/13/89/563111389.db2.gz TXVNNFDXQZFMBQ-PRUVNFMMSA-N 0 1 464.993 5.915 50 0 JKAAMN 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569591882 /nfs/dbraw/zinc/59/18/82/569591882.db2.gz AFZZLAKVHWVKPI-UHFFFAOYSA-N 0 1 464.653 7.160 50 0 JKAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008695430 569593467 /nfs/dbraw/zinc/59/34/67/569593467.db2.gz AFTPUTHFBRVMRI-BUVJYCSZSA-N 0 1 469.516 5.244 50 0 JKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(CC)cc2)c1 ZINC000057222949 569594718 /nfs/dbraw/zinc/59/47/18/569594718.db2.gz GKMSYEBGBKWAOM-UHFFFAOYSA-N 0 1 471.601 5.000 50 0 JKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000057222696 569594805 /nfs/dbraw/zinc/59/48/05/569594805.db2.gz DBEVNIHTMYQMTP-UHFFFAOYSA-N 0 1 498.410 5.355 50 0 JKAAMN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000008717723 569596770 /nfs/dbraw/zinc/59/67/70/569596770.db2.gz CGHKKQLRHSOHMO-VWLOTQADSA-N 0 1 488.429 5.985 50 0 JKAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000033007840 569615636 /nfs/dbraw/zinc/61/56/36/569615636.db2.gz UQPJYABKKGNUIR-UHFFFAOYSA-N 0 1 487.990 5.320 50 0 JKAAMN CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557938 569618284 /nfs/dbraw/zinc/61/82/84/569618284.db2.gz SMQXDEDUWBAPGZ-NRFANRHFSA-N 0 1 498.398 5.343 50 0 JKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064558237 569618635 /nfs/dbraw/zinc/61/86/35/569618635.db2.gz MPAWLOAXFHZYCS-HSZRJFAPSA-N 0 1 465.546 5.589 50 0 JKAAMN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)c1cc(-c2cccs2)n[nH]1 ZINC000033020225 569618736 /nfs/dbraw/zinc/61/87/36/569618736.db2.gz IWNPDLJVBNTSDB-UHFFFAOYSA-N 0 1 451.577 5.519 50 0 JKAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000064579522 569620483 /nfs/dbraw/zinc/62/04/83/569620483.db2.gz MTGNVJWFHZFZNB-HXUWFJFHSA-N 0 1 499.658 5.265 50 0 JKAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c2=O)cc1 ZINC000064591982 569622107 /nfs/dbraw/zinc/62/21/07/569622107.db2.gz MJSVTBAEUXJBOF-UHFFFAOYSA-N 0 1 499.658 5.212 50 0 JKAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1 ZINC000033326899 569624091 /nfs/dbraw/zinc/62/40/91/569624091.db2.gz JOXRSBDAPBTDRE-UHFFFAOYSA-N 0 1 465.623 5.691 50 0 JKAAMN COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)cc1OC ZINC000033326896 569624120 /nfs/dbraw/zinc/62/41/20/569624120.db2.gz ZHHGPAVGJDJPOD-UHFFFAOYSA-N 0 1 497.621 5.091 50 0 JKAAMN O=C1S/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000033349274 569625040 /nfs/dbraw/zinc/62/50/40/569625040.db2.gz RRZNJECPGVVFTD-MKMNVTDBSA-N 0 1 459.148 5.698 50 0 JKAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000033429067 569626254 /nfs/dbraw/zinc/62/62/54/569626254.db2.gz AFTPUTHFBRVMRI-DUAIZULJSA-N 0 1 469.516 5.244 50 0 JKAAMN CC(=O)NCCN1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1 ZINC000033965945 569639469 /nfs/dbraw/zinc/63/94/69/569639469.db2.gz DJLMIXIBPMWLNC-UHFFFAOYSA-N 0 1 481.518 5.119 50 0 JKAAMN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000034668628 569640669 /nfs/dbraw/zinc/64/06/69/569640669.db2.gz QCVVZDJXBQCKHJ-UHFFFAOYSA-N 0 1 487.953 5.611 50 0 JKAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2F)C1 ZINC000034669764 569640814 /nfs/dbraw/zinc/64/08/14/569640814.db2.gz DUUKCQMWHIVBKA-BWKNWUBXSA-N 0 1 488.500 6.253 50 0 JKAAMN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4F)CC3)nc2)cc1 ZINC000034681636 569643351 /nfs/dbraw/zinc/64/33/51/569643351.db2.gz FGJOLXNWCHGQST-UHFFFAOYSA-N 0 1 460.597 5.483 50 0 JKAAMN Cc1ccc(C)c(NC(=O)Nc2ccc(N3CCN(Cc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000034682078 569643678 /nfs/dbraw/zinc/64/36/78/569643678.db2.gz OLYVXQZCOUGBFM-UHFFFAOYSA-N 0 1 457.622 5.788 50 0 JKAAMN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1 ZINC000034682507 569643903 /nfs/dbraw/zinc/64/39/03/569643903.db2.gz NAKGDQBADFAZPO-UHFFFAOYSA-N 0 1 460.574 5.024 50 0 JKAAMN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682547 569643950 /nfs/dbraw/zinc/64/39/50/569643950.db2.gz STTLQXMLHUYGMI-UHFFFAOYSA-N 0 1 476.620 7.099 50 0 JKAAMN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000034682703 569644082 /nfs/dbraw/zinc/64/40/82/569644082.db2.gz LAZIOPQPMXCIAY-UHFFFAOYSA-N 0 1 469.412 6.313 50 0 JKAAMN COc1cccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c1OC ZINC000034682960 569644103 /nfs/dbraw/zinc/64/41/03/569644103.db2.gz HRSGTRJNCJGHHZ-UHFFFAOYSA-N 0 1 462.565 5.463 50 0 JKAAMN CCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034683103 569644108 /nfs/dbraw/zinc/64/41/08/569644108.db2.gz QPUVGTKDJPVYJB-UHFFFAOYSA-N 0 1 456.630 6.839 50 0 JKAAMN COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682777 569644131 /nfs/dbraw/zinc/64/41/31/569644131.db2.gz GVZWRLZFLFTSRS-UHFFFAOYSA-N 0 1 464.993 5.669 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1F ZINC000034682729 569644147 /nfs/dbraw/zinc/64/41/47/569644147.db2.gz IDORDJDUNUQKPV-UHFFFAOYSA-N 0 1 460.549 5.217 50 0 JKAAMN Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682949 569644149 /nfs/dbraw/zinc/64/41/49/569644149.db2.gz UFVGIQPOEMMDDL-UHFFFAOYSA-N 0 1 456.586 5.386 50 0 JKAAMN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682742 569644153 /nfs/dbraw/zinc/64/41/53/569644153.db2.gz HXDRUAMRKLQQMZ-UHFFFAOYSA-N 0 1 460.593 6.724 50 0 JKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034683092 569644169 /nfs/dbraw/zinc/64/41/69/569644169.db2.gz GDCYDTSXOIZHJT-UHFFFAOYSA-N 0 1 458.602 5.578 50 0 JKAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034683118 569644263 /nfs/dbraw/zinc/64/42/63/569644263.db2.gz FRSQVAHAHZBUGP-UHFFFAOYSA-N 0 1 458.480 5.618 50 0 JKAAMN COc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccc(O)c(OC)c3)CC2)cc1OC ZINC000034683269 569644275 /nfs/dbraw/zinc/64/42/75/569644275.db2.gz QZCVIPGTZOLACT-UHFFFAOYSA-N 0 1 490.600 5.038 50 0 JKAAMN O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000034683500 569644474 /nfs/dbraw/zinc/64/44/74/569644474.db2.gz KHAXSCTXCWWZEA-UHFFFAOYSA-N 0 1 474.473 6.295 50 0 JKAAMN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683612 569644515 /nfs/dbraw/zinc/64/45/15/569644515.db2.gz KQMWEJMRWHXFHD-UHFFFAOYSA-N 0 1 482.546 6.334 50 0 JKAAMN CCOC(=O)c1c(NC(=O)[C@H](NCCc2ccc(OC)cc2)c2ccccc2)sc2c1CCCC2 ZINC000034702306 569649172 /nfs/dbraw/zinc/64/91/72/569649172.db2.gz LTDYACUHBRJEEQ-RUZDIDTESA-N 0 1 492.641 5.324 50 0 JKAAMN Clc1ccccc1CN1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034707938 569650191 /nfs/dbraw/zinc/65/01/91/569650191.db2.gz SFIBHXQTESRNDA-UHFFFAOYSA-N 0 1 483.019 5.234 50 0 JKAAMN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000034714722 569651608 /nfs/dbraw/zinc/65/16/08/569651608.db2.gz WKFYTYCQGLFRDF-RUZDIDTESA-N 0 1 458.643 5.236 50 0 JKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2cc(C)cc(C(C)C)c2)c2ccc(F)cc2)CC1 ZINC000034727267 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450.495 6.880 50 0 JKAAMN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844694 569715195 /nfs/dbraw/zinc/71/51/95/569715195.db2.gz RDSXXVAVAHDYEK-SFHVURJKSA-N 0 1 450.495 6.880 50 0 JKAAMN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844758 569715364 /nfs/dbraw/zinc/71/53/64/569715364.db2.gz IEBWEDZNNQTBFY-UHFFFAOYSA-N 0 1 476.617 5.248 50 0 JKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cccc(Cl)c2)CC2CC2)o1 ZINC000035845008 569715819 /nfs/dbraw/zinc/71/58/19/569715819.db2.gz NERPDHFTPDAWPG-UHFFFAOYSA-N 0 1 451.010 5.725 50 0 JKAAMN c1ccc(CCc2nc3sc4c(c3c(N3CCN(Cc5ccccc5)CC3)n2)CCCC4)cc1 ZINC000035848800 569716173 /nfs/dbraw/zinc/71/61/73/569716173.db2.gz VYUZKMWVIZRIGA-UHFFFAOYSA-N 0 1 468.670 5.678 50 0 JKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccc(C)cc3c2=O)cc1 ZINC000085879185 569716203 /nfs/dbraw/zinc/71/62/03/569716203.db2.gz DSZYJMVYZVMKCX-KRWDZBQOSA-N 0 1 496.471 5.030 50 0 biogenic JKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(C)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000035851491 569716397 /nfs/dbraw/zinc/71/63/97/569716397.db2.gz YDPANSBZLXGNPK-KAEZHMCDSA-N 0 1 489.688 7.353 50 0 JKAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000086048502 569716916 /nfs/dbraw/zinc/71/69/16/569716916.db2.gz DLFHMWWVANGKKA-UHFFFAOYSA-N 0 1 464.610 5.338 50 0 JKAAMN c1ccc(Cc2nc3sc4c(c3c(N3CCN(CCOc5ccccc5)CC3)n2)CCCCC4)cc1 ZINC000035893037 569722659 /nfs/dbraw/zinc/72/26/59/569722659.db2.gz CWYWGWAFTDEFKZ-UHFFFAOYSA-N 0 1 498.696 5.752 50 0 JKAAMN CC(C)c1nc2sc3c(c2c(N2CCN(CCOc4ccccc4)CC2)n1)CCCCC3 ZINC000035893013 569722689 /nfs/dbraw/zinc/72/26/89/569722689.db2.gz XYATZHDCOQJELU-UHFFFAOYSA-N 0 1 450.652 5.285 50 0 JKAAMN CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000095483653 569725083 /nfs/dbraw/zinc/72/50/83/569725083.db2.gz ILOGOOOAUQKWMJ-ZLNRFVROSA-N 0 1 477.358 5.063 50 0 JKAAMN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095483653 569725085 /nfs/dbraw/zinc/72/50/85/569725085.db2.gz ILOGOOOAUQKWMJ-ZLNRFVROSA-N 0 1 477.358 5.063 50 0 JKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000096035922 569732156 /nfs/dbraw/zinc/73/21/56/569732156.db2.gz BNWXTFNFBXVCSM-UHFFFAOYSA-N 0 1 454.401 5.339 50 0 JKAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)ccc1OC(C)C ZINC000096113876 569733162 /nfs/dbraw/zinc/73/31/62/569733162.db2.gz RGDPUDAXAQLXGJ-SFHVURJKSA-N 0 1 488.492 5.108 50 0 biogenic JKAAMN CCn1c(-c2cc(NC(=O)c3ccc(C)c(Br)c3)[nH]n2)cc2cc(OC)ccc21 ZINC000096398567 569740287 /nfs/dbraw/zinc/74/02/87/569740287.db2.gz NNLOUJHNJPFTSM-UHFFFAOYSA-N 0 1 453.340 5.383 50 0 JKAAMN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CCN(CCOc2cccc3ccccc32)CC1 ZINC000096766507 569742868 /nfs/dbraw/zinc/74/28/68/569742868.db2.gz QJNVOGGIBHDVLE-UHFFFAOYSA-N 0 1 477.612 5.367 50 0 JKAAMN Cc1nn2c(nc(C)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccc(F)cc1 ZINC000096766509 569742941 /nfs/dbraw/zinc/74/29/41/569742941.db2.gz QJKFJEDPDFVJKV-UHFFFAOYSA-N 0 1 495.602 5.506 50 0 JKAAMN CN1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007034 569747640 /nfs/dbraw/zinc/74/76/40/569747640.db2.gz RJAVOASLMSYNDF-JKGSRKHOSA-N 0 1 465.597 6.567 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036007017 569747646 /nfs/dbraw/zinc/74/76/46/569747646.db2.gz RXXCHODPTODWQX-QXIHQKPUSA-N 0 1 490.559 5.377 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036007017 569747647 /nfs/dbraw/zinc/74/76/47/569747647.db2.gz RXXCHODPTODWQX-QXIHQKPUSA-N 0 1 490.559 5.377 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036301660 569759101 /nfs/dbraw/zinc/75/91/01/569759101.db2.gz JYYDLGVJGKCFPH-NRFANRHFSA-N 0 1 458.002 5.618 50 0 JKAAMN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036301817 569759248 /nfs/dbraw/zinc/75/92/48/569759248.db2.gz VFQZWBIESLGXNX-VWLOTQADSA-N 0 1 498.067 5.872 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100425271 569760015 /nfs/dbraw/zinc/76/00/15/569760015.db2.gz KAUMIFVSHVICQL-SLGOVJDISA-N 0 1 499.054 8.470 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000100425301 569760111 /nfs/dbraw/zinc/76/01/11/569760111.db2.gz BTPBNVVOURWSDY-DLLPINGYSA-N 0 1 488.562 7.690 50 0 JKAAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4cccs4)[C@H]3c3ccco3)C2)cc1 ZINC000100426068 569760248 /nfs/dbraw/zinc/76/02/48/569760248.db2.gz UXQWBNUCWYBXEK-DFXYEROKSA-N 0 1 494.616 7.442 50 0 JKAAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000100425774 569760254 /nfs/dbraw/zinc/76/02/54/569760254.db2.gz QUTKBWLGWRDVTL-BCHFMIIMSA-N 0 1 492.497 6.808 50 0 JKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccs1)C(F)(F)F ZINC000100426911 569760331 /nfs/dbraw/zinc/76/03/31/569760331.db2.gz LJGOUENEFWNAKB-NPMXOYFQSA-N 0 1 486.490 7.000 50 0 JKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426966 569760491 /nfs/dbraw/zinc/76/04/91/569760491.db2.gz HRZGVMVEIWLPKD-PBBNMVCDSA-N 0 1 494.978 7.797 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426952 569760519 /nfs/dbraw/zinc/76/05/19/569760519.db2.gz JCNGHFBQADSCAT-OLILMLBXSA-N 0 1 489.015 8.063 50 0 JKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)C2CC2)cc1 ZINC000100427191 569760522 /nfs/dbraw/zinc/76/05/22/569760522.db2.gz IWWCADKXPNGOOU-WVXBCFDCSA-N 0 1 478.592 6.964 50 0 JKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)C2CC2)cc1 ZINC000100427196 569760531 /nfs/dbraw/zinc/76/05/31/569760531.db2.gz IWWCADKXPNGOOU-DJUQAAIZSA-N 0 1 478.592 6.964 50 0 JKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)C2CC2)cc1 ZINC000100427198 569760535 /nfs/dbraw/zinc/76/05/35/569760535.db2.gz IWWCADKXPNGOOU-YUDQIZAISA-N 0 1 478.592 6.964 50 0 JKAAMN CCCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313830 569761127 /nfs/dbraw/zinc/76/11/27/569761127.db2.gz SJUXGPAIIDDAPP-JOCHJYFZSA-N 0 1 455.574 5.018 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036313805 569761130 /nfs/dbraw/zinc/76/11/30/569761130.db2.gz NQIVJVMOJALAOB-XMMPIXPASA-N 0 1 463.622 5.330 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036313860 569761437 /nfs/dbraw/zinc/76/14/37/569761437.db2.gz DIIRTXKRUJTIMY-VWLOTQADSA-N 0 1 498.067 6.016 50 0 JKAAMN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313906 569761440 /nfs/dbraw/zinc/76/14/40/569761440.db2.gz GGSOLJOWMKNCKI-HSZRJFAPSA-N 0 1 451.611 5.743 50 0 JKAAMN CCCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036313886 569761461 /nfs/dbraw/zinc/76/14/61/569761461.db2.gz USVGTIDMDVLVDK-HSZRJFAPSA-N 0 1 493.648 5.760 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036313956 569761527 /nfs/dbraw/zinc/76/15/27/569761527.db2.gz MCBHXDPUGQJOMY-QHCPKHFHSA-N 0 1 479.621 5.030 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036313925 569761644 /nfs/dbraw/zinc/76/16/44/569761644.db2.gz MKINBPPAVSCKET-RUZDIDTESA-N 0 1 465.638 5.669 50 0 JKAAMN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)C2CC2)c1Oc1ccccc1F ZINC000036316190 569762298 /nfs/dbraw/zinc/76/22/98/569762298.db2.gz MDXLPBCTTRCIJU-OAQYLSRUSA-N 0 1 467.585 5.159 50 0 JKAAMN Cn1nc(-c2ccccc2)c(CN(Cc2ccccc2)C[C@H](O)COC(C)(C)C)c1Oc1ccccc1 ZINC000036316205 569762341 /nfs/dbraw/zinc/76/23/41/569762341.db2.gz YOGLJIZEPRQMMU-SANMLTNESA-N 0 1 499.655 6.058 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COC(C)C)CC1CC1 ZINC000036316323 569762503 /nfs/dbraw/zinc/76/25/03/569762503.db2.gz JVXWXJYJQFTKSA-XMMPIXPASA-N 0 1 463.622 5.225 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COc1ccccc1)CC1CC1 ZINC000036316320 569762590 /nfs/dbraw/zinc/76/25/90/569762590.db2.gz YVJIHZPNUGUKFT-SANMLTNESA-N 0 1 497.639 5.879 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036316268 569762639 /nfs/dbraw/zinc/76/26/39/569762639.db2.gz UUQRSKVVSVDMID-QHCPKHFHSA-N 0 1 465.638 5.613 50 0 JKAAMN CCCC(=O)OC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316272 569762679 /nfs/dbraw/zinc/76/26/79/569762679.db2.gz COKFWXLODKKFKB-HSZRJFAPSA-N 0 1 479.621 5.142 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036316522 569763162 /nfs/dbraw/zinc/76/31/62/569763162.db2.gz RQVVFDLQDQEHQC-DEOSSOPVSA-N 0 1 481.612 5.364 50 0 JKAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340284 569763684 /nfs/dbraw/zinc/76/36/84/569763684.db2.gz TWOMPAFTSQXIOF-VWLOTQADSA-N 0 1 479.068 5.369 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036342060 569765267 /nfs/dbraw/zinc/76/52/67/569765267.db2.gz BGJFZLNKUAQODU-QHCPKHFHSA-N 0 1 469.601 5.499 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036342114 569765468 /nfs/dbraw/zinc/76/54/68/569765468.db2.gz HHYXBQPVSFEBMX-DEOSSOPVSA-N 0 1 467.585 5.110 50 0 JKAAMN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036343967 569766688 /nfs/dbraw/zinc/76/66/88/569766688.db2.gz PHGOOCGYWCCBLS-PMERELPUSA-N 0 1 499.630 5.857 50 0 JKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036344421 569767110 /nfs/dbraw/zinc/76/71/10/569767110.db2.gz RUECOLNZTVKUPB-HHHXNRCGSA-N 0 1 481.596 5.048 50 0 JKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344608 569767299 /nfs/dbraw/zinc/76/72/99/569767299.db2.gz MIMGRXDUUZUXGG-HKBQPEDESA-N 0 1 479.668 6.244 50 0 JKAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345051 569767698 /nfs/dbraw/zinc/76/76/98/569767698.db2.gz FVYCZKVABPGJTG-LJAQVGFWSA-N 0 1 486.059 6.281 50 0 JKAAMN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036345294 569767870 /nfs/dbraw/zinc/76/78/70/569767870.db2.gz AKEHCNXAEUVSDV-GDLZYMKVSA-N 0 1 481.640 5.636 50 0 JKAAMN COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036345671 569768193 /nfs/dbraw/zinc/76/81/93/569768193.db2.gz VIUBUZABOPXMIQ-HKBQPEDESA-N 0 1 495.667 5.944 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)COCC(C)C)C(C)C ZINC000036345805 569768202 /nfs/dbraw/zinc/76/82/02/569768202.db2.gz UYZIJLMETHNOMT-DEOSSOPVSA-N 0 1 483.628 5.610 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COCC(C)C)C(C)C ZINC000036345862 569768348 /nfs/dbraw/zinc/76/83/48/569768348.db2.gz SYWSBQZXBCJZRJ-RUZDIDTESA-N 0 1 465.638 5.525 50 0 JKAAMN CCCCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345906 569768425 /nfs/dbraw/zinc/76/84/25/569768425.db2.gz CQXFFHHIKJJBEZ-VWLOTQADSA-N 0 1 465.638 5.671 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)c1ccccc1)C(C)C ZINC000036345851 569768499 /nfs/dbraw/zinc/76/84/99/569768499.db2.gz BVOPHELQAZEIRI-NDEPHWFRSA-N 0 1 455.602 6.225 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036345912 569768591 /nfs/dbraw/zinc/76/85/91/569768591.db2.gz NJYNMSBGHMGZIV-MUUNZHRXSA-N 0 1 499.655 6.071 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036345950 569768624 /nfs/dbraw/zinc/76/86/24/569768624.db2.gz RYSVLAXRSDLODX-RUZDIDTESA-N 0 1 477.649 5.669 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346078 569768721 /nfs/dbraw/zinc/76/87/21/569768721.db2.gz DVASJIWXUKAWFB-DEOSSOPVSA-N 0 1 481.612 5.502 50 0 JKAAMN CCCCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346045 569768869 /nfs/dbraw/zinc/76/88/69/569768869.db2.gz NLCPGBLUOJOKPX-HSZRJFAPSA-N 0 1 469.601 5.502 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1OC ZINC000100750381 569768873 /nfs/dbraw/zinc/76/88/73/569768873.db2.gz RYOHQUMVBIBPHS-XRHLQHRESA-N 0 1 458.514 5.867 50 0 biogenic JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346433 569769768 /nfs/dbraw/zinc/76/97/68/569769768.db2.gz JDKXREOCSLHTTF-DEOSSOPVSA-N 0 1 481.612 5.500 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346420 569769801 /nfs/dbraw/zinc/76/98/01/569769801.db2.gz WXJHIVPEWPVKGJ-XMMPIXPASA-N 0 1 467.585 5.110 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1 ZINC000036346501 569769860 /nfs/dbraw/zinc/76/98/60/569769860.db2.gz QKNJISXGQMSZFN-DEOSSOPVSA-N 0 1 479.665 6.560 50 0 JKAAMN CCOC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346480 569769896 /nfs/dbraw/zinc/76/98/96/569769896.db2.gz VYXDSJNCVPVWME-QHCPKHFHSA-N 0 1 481.637 5.404 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346515 569769920 /nfs/dbraw/zinc/76/99/20/569769920.db2.gz XIIGZKLOGVPJLS-DEOSSOPVSA-N 0 1 479.665 5.922 50 0 JKAAMN COC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346478 569769932 /nfs/dbraw/zinc/76/99/32/569769932.db2.gz MMBQQZLJSBIPIE-JOCHJYFZSA-N 0 1 467.610 5.014 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346516 569769952 /nfs/dbraw/zinc/76/99/52/569769952.db2.gz XIIGZKLOGVPJLS-XMMPIXPASA-N 0 1 479.665 5.922 50 0 JKAAMN CCCN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)CC ZINC000036346493 569769973 /nfs/dbraw/zinc/76/99/73/569769973.db2.gz HWCJWANYMFSTNX-JOCHJYFZSA-N 0 1 451.611 5.780 50 0 JKAAMN CCOC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346505 569770005 /nfs/dbraw/zinc/77/00/05/569770005.db2.gz YLMCPTUNPNTTKO-XMMPIXPASA-N 0 1 493.648 5.406 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346536 569770058 /nfs/dbraw/zinc/77/00/58/569770058.db2.gz YIVFIKWMJGUMEG-SANMLTNESA-N 0 1 491.676 5.781 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)COCC(C)C)C(C)C ZINC000036346582 569770089 /nfs/dbraw/zinc/77/00/89/569770089.db2.gz IGQZITKTLQFPEA-HSZRJFAPSA-N 0 1 487.591 5.495 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346649 569770319 /nfs/dbraw/zinc/77/03/19/569770319.db2.gz DQSMENXEBDOPPS-XMMPIXPASA-N 0 1 487.591 5.639 50 0 JKAAMN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346716 569770532 /nfs/dbraw/zinc/77/05/32/569770532.db2.gz VOLHTWLHEXVGSZ-HSZRJFAPSA-N 0 1 457.565 6.013 50 0 JKAAMN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346718 569770594 /nfs/dbraw/zinc/77/05/94/569770594.db2.gz ZCRPYWWPKADFLK-DEOSSOPVSA-N 0 1 487.591 5.639 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346673 569770648 /nfs/dbraw/zinc/77/06/48/569770648.db2.gz CZZONSRXLHMAHL-QHCPKHFHSA-N 0 1 457.565 6.014 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036346721 569770663 /nfs/dbraw/zinc/77/06/63/569770663.db2.gz KIUWBHZQVJGARZ-AREMUKBSSA-N 0 1 489.566 5.819 50 0 JKAAMN Cc1ccc(Oc2c(CN(Cc3ccccc3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346797 569770883 /nfs/dbraw/zinc/77/08/83/569770883.db2.gz RUSYDLAXUJESFB-MHZLTWQESA-N 0 1 499.655 5.976 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036346745 569770913 /nfs/dbraw/zinc/77/09/13/569770913.db2.gz CKXMLGAWMWUXSL-QHCPKHFHSA-N 0 1 473.564 5.249 50 0 JKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3cccc(O)c3)c2c1 ZINC000036359097 569772308 /nfs/dbraw/zinc/77/23/08/569772308.db2.gz RIAIXNDHUGOHJV-MHZLTWQESA-N 0 1 464.525 5.060 50 0 JKAAMN CSc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100885090 569774239 /nfs/dbraw/zinc/77/42/39/569774239.db2.gz POLMJDIEAXQIPX-VSKRKVRLSA-N 0 1 484.499 5.478 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccc(F)c2)cc1 ZINC000100903588 569774944 /nfs/dbraw/zinc/77/49/44/569774944.db2.gz ZEIMMRHLHQEASM-LGGPFLRQSA-N 0 1 482.555 6.794 50 0 JKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101040563 569780415 /nfs/dbraw/zinc/78/04/15/569780415.db2.gz UQKHXXIFTXJVDW-BDTNDASRSA-N 0 1 453.325 5.353 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000101097059 569782464 /nfs/dbraw/zinc/78/24/64/569782464.db2.gz JIMDJLIZXQZJMR-IIMAJNMQSA-N 0 1 498.579 6.282 50 0 JKAAMN CC(C)C1=NN(c2cccc(F)c2)C(=O)C1c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000101099586 569782578 /nfs/dbraw/zinc/78/25/78/569782578.db2.gz RONREYCZZKCNAA-UHFFFAOYSA-N 0 1 494.364 6.522 50 0 JKAAMN CC(C)c1[nH]n(-c2cccc(F)c2)c(=O)c1-c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000101099586 569782579 /nfs/dbraw/zinc/78/25/79/569782579.db2.gz RONREYCZZKCNAA-UHFFFAOYSA-N 0 1 494.364 6.522 50 0 JKAAMN CSc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101181267 569786322 /nfs/dbraw/zinc/78/63/22/569786322.db2.gz BTIOOIGGHNJAGI-BDTNDASRSA-N 0 1 450.947 5.113 50 0 JKAAMN COc1cc(OC)cc(C(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)c1 ZINC000101193371 569786880 /nfs/dbraw/zinc/78/68/80/569786880.db2.gz ACLAJSKSRUDZLR-UHFFFAOYSA-N 0 1 483.568 6.135 50 0 JKAAMN CN(C)c1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000037439546 569790599 /nfs/dbraw/zinc/79/05/99/569790599.db2.gz CRZUUNUCKPKAAZ-QFIPXVFZSA-N 0 1 459.512 5.093 50 0 JKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000037560003 569795520 /nfs/dbraw/zinc/79/55/20/569795520.db2.gz GGCFVWGZQDNQBB-UHFFFAOYSA-N 0 1 478.564 5.163 50 0 JKAAMN COc1cccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)c1 ZINC000037560566 569795595 /nfs/dbraw/zinc/79/55/95/569795595.db2.gz IDMXZJCHACVROX-UHFFFAOYSA-N 0 1 464.631 5.172 50 0 JKAAMN COc1cccc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3cccc(OC)c3)CC2)c1 ZINC000037570667 569795664 /nfs/dbraw/zinc/79/56/64/569795664.db2.gz BYVQQRXFRBKWMP-UHFFFAOYSA-N 0 1 464.993 5.669 50 0 JKAAMN COc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000037570535 569795686 /nfs/dbraw/zinc/79/56/86/569795686.db2.gz DRLFMERDTURNHX-UHFFFAOYSA-N 0 1 485.049 5.517 50 0 JKAAMN COc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037570545 569795802 /nfs/dbraw/zinc/79/58/02/569795802.db2.gz YZOWJVRVYYSMSB-UHFFFAOYSA-N 0 1 468.594 5.003 50 0 JKAAMN COc1ccc(N(C2CCN(Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000037570671 569795945 /nfs/dbraw/zinc/79/59/45/569795945.db2.gz BXOSXJKFCFVDBD-UHFFFAOYSA-N 0 1 498.620 5.011 50 0 JKAAMN Cc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000037572257 569795955 /nfs/dbraw/zinc/79/59/55/569795955.db2.gz IBLZXJJSNCVRFO-UHFFFAOYSA-N 0 1 456.558 5.133 50 0 JKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101395763 569796172 /nfs/dbraw/zinc/79/61/72/569796172.db2.gz JFVDYLMPWBCMSI-HRFSGMKKSA-N 0 1 482.536 6.026 50 0 JKAAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@@H]3c2cccs2)cc1 ZINC000101397893 569796281 /nfs/dbraw/zinc/79/62/81/569796281.db2.gz ARRPKFNIJJIOLD-XHCCPWGMSA-N 0 1 456.611 7.226 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000101406701 569796797 /nfs/dbraw/zinc/79/67/97/569796797.db2.gz UCTPCJLQWHNNDW-QXNWPYRLSA-N 0 1 479.624 7.520 50 0 JKAAMN CCc1ccc(N(C2CCN(Cc3ccc(OC)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037588148 569796824 /nfs/dbraw/zinc/79/68/24/569796824.db2.gz JXMGDOFYUHUTDA-UHFFFAOYSA-N 0 1 464.631 5.118 50 0 JKAAMN COc1ccc(CC(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000101431836 569797572 /nfs/dbraw/zinc/79/75/72/569797572.db2.gz OVWUIHBHUJIZDD-UHFFFAOYSA-N 0 1 467.569 6.056 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000101450672 569797743 /nfs/dbraw/zinc/79/77/43/569797743.db2.gz BKBUFVXDVCDGQC-NGOKVRLYSA-N 0 1 456.517 6.404 50 0 JKAAMN FC(F)Oc1ccccc1/C=C1/CCCC2=C1N=C1N=CNN1[C@H]2c1ccccc1OC(F)F ZINC000038173334 569800065 /nfs/dbraw/zinc/80/00/65/569800065.db2.gz MRZVVBDVUPJFGQ-MQGIHEMASA-N 0 1 472.442 5.670 50 0 JKAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000101495084 569800115 /nfs/dbraw/zinc/80/01/15/569800115.db2.gz PTUINWDCJLRVGI-OAQYLSRUSA-N 0 1 475.957 5.243 50 0 JKAAMN FC(F)Oc1ccc(/C=C2/CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(OC(F)F)cc2)cc1 ZINC000038181327 569800199 /nfs/dbraw/zinc/80/01/99/569800199.db2.gz BLHWFBFPZNZLER-MJGOQDMVSA-N 0 1 472.442 5.670 50 0 JKAAMN Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3O)=Nc3ccccc3S2)s1 ZINC000101495225 569800335 /nfs/dbraw/zinc/80/03/35/569800335.db2.gz MXOCOOQGPKHKGM-HXUWFJFHSA-N 0 1 496.013 5.613 50 0 JKAAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101639456 569802295 /nfs/dbraw/zinc/80/22/95/569802295.db2.gz SQJQGZQKRZZLLJ-HSZRJFAPSA-N 0 1 456.508 7.154 50 0 JKAAMN O=C(Nc1sc2c(c1[C@H](c1ccccc1Cl)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545963 569802632 /nfs/dbraw/zinc/80/26/32/569802632.db2.gz XNTIXUZAXUZYES-QHCPKHFHSA-N 0 1 455.023 6.701 50 0 JKAAMN COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)c1OC ZINC000038546140 569802657 /nfs/dbraw/zinc/80/26/57/569802657.db2.gz ISQSWAFBIBZMKI-DEOSSOPVSA-N 0 1 480.630 6.065 50 0 JKAAMN O=C(Nc1sc2c(c1[C@@H](c1ccc(Cl)cc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545959 569802661 /nfs/dbraw/zinc/80/26/61/569802661.db2.gz UNFMOTLWIXLYFR-HSZRJFAPSA-N 0 1 455.023 6.701 50 0 JKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc3c(c2)OCO3)N2CCCCC2)c1C ZINC000038546001 569802703 /nfs/dbraw/zinc/80/27/03/569802703.db2.gz SPSDBNAXFCPGBS-QFIPXVFZSA-N 0 1 454.617 5.983 50 0 JKAAMN CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)cc1 ZINC000038546133 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O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677847 569869070 /nfs/dbraw/zinc/86/90/70/569869070.db2.gz JFRHLXCIJCHXCV-VWNXMTODSA-N 0 1 489.399 5.159 50 0 JKAAMN CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678890 569869241 /nfs/dbraw/zinc/86/92/41/569869241.db2.gz STHXDYSJWCCWGU-XUZZJYLKSA-N 0 1 451.611 5.359 50 0 JKAAMN O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681936 569870927 /nfs/dbraw/zinc/87/09/27/569870927.db2.gz XRYZNNMREQSSSX-AHWVRZQESA-N 0 1 497.536 5.024 50 0 JKAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000222204340 569883840 /nfs/dbraw/zinc/88/38/40/569883840.db2.gz DOMKDVRQFVLOLZ-MZLPPYGWSA-N 0 1 491.381 5.255 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000226828026 570038696 /nfs/dbraw/zinc/03/86/96/570038696.db2.gz MHVHYYNMBVRZLE-OYUWMTPXSA-N 0 1 486.568 5.234 50 0 JKAAMN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000226825643 570038715 /nfs/dbraw/zinc/03/87/15/570038715.db2.gz ZJLRIAFKGZDUFS-WXFUMESZSA-N 0 1 492.362 5.834 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000226838053 570038782 /nfs/dbraw/zinc/03/87/82/570038782.db2.gz GPTGDOKEXAVNIW-TXQUNOLYSA-N 0 1 480.539 5.086 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000226838803 570038917 /nfs/dbraw/zinc/03/89/17/570038917.db2.gz XSQCPFOFYOILOK-TXQUNOLYSA-N 0 1 480.539 5.086 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000229954776 570042560 /nfs/dbraw/zinc/04/25/60/570042560.db2.gz MJOIKRDLSPNTGC-ISJGIBHGSA-N 0 1 454.913 5.544 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229954830 570042708 /nfs/dbraw/zinc/04/27/08/570042708.db2.gz IWRYMFUIBSOYMV-ISJGIBHGSA-N 0 1 454.913 5.544 50 0 JKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)cc1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000229989292 570043269 /nfs/dbraw/zinc/04/32/69/570043269.db2.gz MQPPHYGHLMXTPS-YTFSRNRJSA-N 0 1 490.346 5.593 50 0 JKAAMN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000239310281 570050701 /nfs/dbraw/zinc/05/07/01/570050701.db2.gz IHIZPTOMMUMKHH-HRHHFINDSA-N 0 1 460.533 5.368 50 0 JKAAMN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000239310281 570050702 /nfs/dbraw/zinc/05/07/02/570050702.db2.gz IHIZPTOMMUMKHH-HRHHFINDSA-N 0 1 460.533 5.368 50 0 JKAAMN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)c1 ZINC000239412343 570051684 /nfs/dbraw/zinc/05/16/84/570051684.db2.gz SOTFIHHJHUBBKJ-HRHHFINDSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)c1 ZINC000239412343 570051685 /nfs/dbraw/zinc/05/16/85/570051685.db2.gz SOTFIHHJHUBBKJ-HRHHFINDSA-N 0 1 476.532 5.068 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239425647 570051823 /nfs/dbraw/zinc/05/18/23/570051823.db2.gz UXUOYKZOFGFALT-FEVNIDIWSA-N 0 1 494.522 5.207 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239425647 570051825 /nfs/dbraw/zinc/05/18/25/570051825.db2.gz UXUOYKZOFGFALT-FEVNIDIWSA-N 0 1 494.522 5.207 50 0 JKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239794 570057849 /nfs/dbraw/zinc/05/78/49/570057849.db2.gz DIVYKISDVGEKFS-ANARSLNQSA-N 0 1 492.556 5.197 50 0 JKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239794 570057851 /nfs/dbraw/zinc/05/78/51/570057851.db2.gz DIVYKISDVGEKFS-ANARSLNQSA-N 0 1 492.556 5.197 50 0 JKAAMN COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000245245756 570059079 /nfs/dbraw/zinc/05/90/79/570059079.db2.gz PMPAMSURRMCKHB-LTMIRXACSA-N 0 1 473.520 5.830 50 0 JKAAMN Fc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN([C@H]2CCCc3ccccc32)CC1 ZINC000245255123 570059841 /nfs/dbraw/zinc/05/98/41/570059841.db2.gz FUFWQEOWCIULRS-WUFINQPMSA-N 0 1 467.588 6.239 50 0 JKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281370 570062255 /nfs/dbraw/zinc/06/22/55/570062255.db2.gz XVVNDFYJXMSHCX-AOYPEHQESA-N 0 1 493.648 5.038 50 0 JKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000245309060 570062886 /nfs/dbraw/zinc/06/28/86/570062886.db2.gz AINFAIUKXTUSAE-HHIOAARCSA-N 0 1 490.603 5.510 50 0 JKAAMN CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cn(C)c3ccccc23)cc1 ZINC000245309462 570063099 /nfs/dbraw/zinc/06/30/99/570063099.db2.gz DEHFZJUHONNBRJ-ZONZVBGPSA-N 0 1 481.552 5.018 50 0 JKAAMN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cn(C)c5ccccc45)[C@H]3C2=O)cc1 ZINC000245309462 570063100 /nfs/dbraw/zinc/06/31/00/570063100.db2.gz DEHFZJUHONNBRJ-ZONZVBGPSA-N 0 1 481.552 5.018 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000248297964 570077407 /nfs/dbraw/zinc/07/74/07/570077407.db2.gz YPMQQNQXZRJTNB-SODQHWRNSA-N 0 1 496.632 5.727 50 0 JKAAMN Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccc(OC(=O)c3ccccc3)cc2[nH]1 ZINC000252492460 570081983 /nfs/dbraw/zinc/08/19/83/570081983.db2.gz MMYQDKGLJBZSTD-UHFFFAOYSA-N 0 1 473.476 5.719 50 0 JKAAMN COc1ccc(CN2CCC(N3CC(=O)C(c4nc(-c5ccccc5)cs4)=C3N)CC2)cc1 ZINC000252537634 570083213 /nfs/dbraw/zinc/08/32/13/570083213.db2.gz LXCSNURUQYCZQR-UHFFFAOYSA-N 0 1 460.603 5.045 50 0 JKAAMN CSc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253401279 570096537 /nfs/dbraw/zinc/09/65/37/570096537.db2.gz FMOLJAPKVSTRIH-KRWDZBQOSA-N 0 1 464.926 5.982 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253413185 570098196 /nfs/dbraw/zinc/09/81/96/570098196.db2.gz UBTDYWNWIBWLHO-MRXNPFEDSA-N 0 1 486.863 5.366 50 0 biogenic JKAAMN Cc1ccc2nc(CC[C@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]43C)[nH]c2c1 ZINC000253531574 570103089 /nfs/dbraw/zinc/10/30/89/570103089.db2.gz PNDIQIYGAYXTNR-UNWJHWPQSA-N 0 1 462.722 7.460 50 0 JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)[nH]c2c1 ZINC000253531573 570103101 /nfs/dbraw/zinc/10/31/01/570103101.db2.gz PNDIQIYGAYXTNR-MBUCPGOKSA-N 0 1 462.722 7.460 50 0 JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000253623674 570105222 /nfs/dbraw/zinc/10/52/22/570105222.db2.gz FMCAAZWYLLYYCW-INIZCTEOSA-N 0 1 485.879 5.514 50 0 biogenic JKAAMN CC(C)Cc1nc2ccc(NC(=O)[C@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)cc2[nH]1 ZINC000263588146 570172370 /nfs/dbraw/zinc/17/23/70/570172370.db2.gz PRBBQMADSYNYBO-QHCPKHFHSA-N 0 1 489.620 5.328 50 0 JKAAMN Cc1[nH]c2ccccc2c1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001065249 194013810 /nfs/dbraw/zinc/01/38/10/194013810.db2.gz UQFMVWUPNNGDJG-MRXNPFEDSA-N 0 1 452.190 5.520 50 0 JKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Cl)cc1 ZINC000001066029 194014293 /nfs/dbraw/zinc/01/42/93/194014293.db2.gz UVUCEHNIOFSHPQ-UHFFFAOYSA-N 0 1 468.884 5.720 50 0 JKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1 ZINC000001079397 194019998 /nfs/dbraw/zinc/01/99/98/194019998.db2.gz JGRAPIXKRURIJJ-UHFFFAOYSA-N 0 1 468.884 5.720 50 0 JKAAMN O=C1NC(=O)[C@](CCc2ccncc2)(Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000001115384 194029555 /nfs/dbraw/zinc/02/95/55/194029555.db2.gz DFAQYXPSDARAOV-DEOSSOPVSA-N 0 1 478.346 5.129 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Br)c(Cl)c1 ZINC000001120297 194033413 /nfs/dbraw/zinc/03/34/13/194033413.db2.gz ZCGBKJZWPFTBBT-UHFFFAOYSA-N 0 1 458.168 5.272 50 0 JKAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001139047 194043587 /nfs/dbraw/zinc/04/35/87/194043587.db2.gz QAOJASLTOZEUGT-UHFFFAOYSA-N 0 1 463.342 5.249 50 0 JKAAMN COc1ccc(-c2nc(-c3cc(Br)c(OC)cc3OC)[nH]c2-c2ccccc2)cc1OC ZINC000001152474 194051317 /nfs/dbraw/zinc/05/13/17/194051317.db2.gz PSUWSIXFEPYELX-UHFFFAOYSA-N 0 1 495.373 6.208 50 0 JKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCc1cccc(C)c1)=N2 ZINC000001394582 194114536 /nfs/dbraw/zinc/11/45/36/194114536.db2.gz UMFCXVBUNAHMCR-QFIPXVFZSA-N 0 1 471.582 5.147 50 0 JKAAMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@@H]2c2cccc(F)c2)cc1 ZINC000001404941 194115655 /nfs/dbraw/zinc/11/56/55/194115655.db2.gz GODYSTRULYQSIG-SANMLTNESA-N 0 1 475.951 5.312 50 0 JKAAMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@H]2c2cccc(F)c2)cc1 ZINC000001404945 194115688 /nfs/dbraw/zinc/11/56/88/194115688.db2.gz GODYSTRULYQSIG-AREMUKBSSA-N 0 1 475.951 5.312 50 0 JKAAMN COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc3ccccc31)c1ccccc21 ZINC000001890083 194152818 /nfs/dbraw/zinc/15/28/18/194152818.db2.gz XRMCOQQKKSUYEG-UHFFFAOYSA-N 0 1 489.549 5.652 50 0 JKAAMN Cc1cc(Cc2cc(Br)ccc2O)c(O)c(Cc2cc(Br)ccc2O)c1 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/nfs/dbraw/zinc/15/58/50/520155850.db2.gz QWSPFBBMRKYRNE-JOCHJYFZSA-N 0 1 470.013 5.236 50 0 JKAAMN CCCOc1c(Cl)cc(CNCc2cc(Cl)c(OCC)c(OCC)c2)cc1OCC ZINC000016448691 520296850 /nfs/dbraw/zinc/29/68/50/520296850.db2.gz MENSVOFFZROZBT-UHFFFAOYSA-N 0 1 456.410 6.268 50 0 JKAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000008606549 520423632 /nfs/dbraw/zinc/42/36/32/520423632.db2.gz RWKWOQHAZFFALP-GDLZYMKVSA-N 0 1 497.595 5.758 50 0 JKAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000008606663 520424606 /nfs/dbraw/zinc/42/46/06/520424606.db2.gz AKEZGSAYABSNKL-HHHXNRCGSA-N 0 1 484.556 5.110 50 0 JKAAMN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000014980945 520464640 /nfs/dbraw/zinc/46/46/40/520464640.db2.gz FYVXRQXXZYCVQJ-UHFFFAOYSA-N 0 1 471.523 5.279 50 0 JKAAMN CCCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000008614305 520569903 /nfs/dbraw/zinc/56/99/03/520569903.db2.gz HVHHMQARWYAWTP-UHFFFAOYSA-N 0 1 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CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000014986038 520963156 /nfs/dbraw/zinc/96/31/56/520963156.db2.gz BUNLRXNWLRZLOV-UHFFFAOYSA-N 0 1 486.538 5.130 50 0 JKAAMN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000008629596 521172976 /nfs/dbraw/zinc/17/29/76/521172976.db2.gz WIRRZFQEBKMZHQ-KRWDZBQOSA-N 0 1 468.781 5.022 50 0 JKAAMN CCOc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004662434 521222507 /nfs/dbraw/zinc/22/25/07/521222507.db2.gz MUDYPGFXLOFQAH-CQSZACIVSA-N 0 1 460.397 5.261 50 0 JKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912768 521584905 /nfs/dbraw/zinc/58/49/05/521584905.db2.gz YRQPXGQIRHJAHF-UHFFFAOYSA-N 0 1 476.690 5.678 50 0 JKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121583 521629804 /nfs/dbraw/zinc/62/98/04/521629804.db2.gz JZOSRYIJDWOYTH-UHFFFAOYSA-N 0 1 455.002 5.349 50 0 JKAAMN CCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(C)n1 ZINC000012466967 521652157 /nfs/dbraw/zinc/65/21/57/521652157.db2.gz SYBJQJAVEVATKI-UHFFFAOYSA-N 0 1 450.558 5.384 50 0 JKAAMN CCCn1ncc(CN2CCC(Cc3cccc(C(F)(F)F)c3)(C(=O)OCC)CC2)c1C ZINC000012456630 521672203 /nfs/dbraw/zinc/67/22/03/521672203.db2.gz VCZIPGYVQPBLDN-UHFFFAOYSA-N 0 1 451.533 5.008 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036304177 521679004 /nfs/dbraw/zinc/67/90/04/521679004.db2.gz UDXGHGRJBXEVJK-HSZRJFAPSA-N 0 1 487.591 5.497 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036304162 521679090 /nfs/dbraw/zinc/67/90/90/521679090.db2.gz OHJMDRZMLBSQIP-JOCHJYFZSA-N 0 1 473.564 5.249 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036304559 521679112 /nfs/dbraw/zinc/67/91/12/521679112.db2.gz TYWYLXSPMFLDLJ-HSZRJFAPSA-N 0 1 481.637 5.370 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036303934 521679260 /nfs/dbraw/zinc/67/92/60/521679260.db2.gz PVBUUSRZGKTHPO-HSZRJFAPSA-N 0 1 481.637 5.370 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036304854 521679392 /nfs/dbraw/zinc/67/93/92/521679392.db2.gz TZBXYKLZDCHVBD-MUUNZHRXSA-N 0 1 499.655 6.071 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036303910 521679409 /nfs/dbraw/zinc/67/94/09/521679409.db2.gz XLYVLCLPAGXWGO-DEOSSOPVSA-N 0 1 481.637 5.227 50 0 JKAAMN CCCN(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1 ZINC000036203431 521682702 /nfs/dbraw/zinc/68/27/02/521682702.db2.gz DQTHZDAXJSXHSR-UHFFFAOYSA-N 0 1 453.629 6.108 50 0 JKAAMN CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167855 521682768 /nfs/dbraw/zinc/68/27/68/521682768.db2.gz AZHFAOOPEJGOLP-UHFFFAOYSA-N 0 1 477.551 6.263 50 0 JKAAMN CCCN(Cc1ccsc1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202935 521691662 /nfs/dbraw/zinc/69/16/62/521691662.db2.gz CYHMJTRPGXAWKD-UHFFFAOYSA-N 0 1 453.554 6.316 50 0 JKAAMN CCN1CCc2c(sc3c2CN(C(=O)Nc2ccccc2OC)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427412 521724763 /nfs/dbraw/zinc/72/47/63/521724763.db2.gz BSOVZONVJZNFBN-MHZLTWQESA-N 0 1 498.652 6.063 50 0 JKAAMN CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000012453320 521890691 /nfs/dbraw/zinc/89/06/91/521890691.db2.gz AKCLNYPPLBWDOH-UHFFFAOYSA-N 0 1 479.584 5.065 50 0 JKAAMN CNC(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000012416961 521948461 /nfs/dbraw/zinc/94/84/61/521948461.db2.gz AAUCQGTXBGOKNM-UHFFFAOYSA-N 0 1 478.680 6.767 50 0 JKAAMN COC(=O)c1sc2nc(CN3CCC(C)CC3)ccc2c1NC(=O)c1ccccc1Cl ZINC000014994442 522435183 /nfs/dbraw/zinc/43/51/83/522435183.db2.gz ABMKZEPJOJZMTB-UHFFFAOYSA-N 0 1 457.983 5.221 50 0 JKAAMN COc1cc(CNCc2cc3cc(C)ccc3nc2OCc2cccc(F)c2)cc(OC)c1OC ZINC000012338122 522464796 /nfs/dbraw/zinc/46/47/96/522464796.db2.gz WEWJFDICBVHDML-UHFFFAOYSA-N 0 1 476.548 5.577 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(C[C@@H](O)COC(C)C)CC1CC1 ZINC000036302623 522639320 /nfs/dbraw/zinc/63/93/20/522639320.db2.gz BECRUEMTPWSKQU-XMMPIXPASA-N 0 1 493.648 5.234 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036302762 522642771 /nfs/dbraw/zinc/64/27/71/522642771.db2.gz BWKWLRWURJHHOR-AREMUKBSSA-N 0 1 497.639 5.804 50 0 JKAAMN COc1cc(NS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)cc(OC)c1 ZINC000065008817 522754441 /nfs/dbraw/zinc/75/44/41/522754441.db2.gz TVCQWSXQCXYUAH-UHFFFAOYSA-N 0 1 487.578 5.081 50 0 JKAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1Cl ZINC000033173345 522815789 /nfs/dbraw/zinc/81/57/89/522815789.db2.gz HYLQAGXFZUCVIH-UHFFFAOYSA-N 0 1 476.860 5.140 50 0 JKAAMN COc1cc([C@@H](c2c(C)[nH]c3ccccc32)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000021670496 522914242 /nfs/dbraw/zinc/91/42/42/522914242.db2.gz RWQJIRWUKNZWHK-LJAQVGFWSA-N 0 1 485.628 5.409 50 0 JKAAMN COc1ccc(-c2[nH]c(-c3ccc(OC)c(OC)c3)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000008594638 523071948 /nfs/dbraw/zinc/07/19/48/523071948.db2.gz GRKKHMDVMPOIOP-UHFFFAOYSA-N 0 1 475.570 5.500 50 0 JKAAMN COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008594782 523073820 /nfs/dbraw/zinc/07/38/20/523073820.db2.gz JQYVWEYKDHHMNY-UHFFFAOYSA-N 0 1 473.554 5.254 50 0 aggregator JKAAMN COCCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccc(F)c1 ZINC000036203089 523263278 /nfs/dbraw/zinc/26/32/78/523263278.db2.gz DWVJFEQZFOGYNR-UHFFFAOYSA-N 0 1 459.561 5.742 50 0 JKAAMN COCCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000036203109 523263926 /nfs/dbraw/zinc/26/39/26/523263926.db2.gz FIRZSZYVIKIHOI-UHFFFAOYSA-N 0 1 495.541 6.020 50 0 JKAAMN CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)C1=O ZINC000021886289 523604020 /nfs/dbraw/zinc/60/40/20/523604020.db2.gz OSOKFJRSIAIFRJ-QHCPKHFHSA-N 0 1 488.975 5.144 50 0 JKAAMN CCc1cc([C@H](c2cccc(Cl)c2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546534 523844337 /nfs/dbraw/zinc/84/43/37/523844337.db2.gz YCDZCSURUZBHPX-QFIPXVFZSA-N 0 1 458.027 5.536 50 0 JKAAMN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000033173550 523854408 /nfs/dbraw/zinc/85/44/08/523854408.db2.gz VCQXJWXTZPZYPC-UHFFFAOYSA-N 0 1 490.887 5.394 50 0 JKAAMN CC[C@H](C)[N@@H+](CCNCc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-])C1CCCCC1 ZINC000020379407 523936443 /nfs/dbraw/zinc/93/64/43/523936443.db2.gz XYVSNVQRVYLDCY-QHCPKHFHSA-N 0 1 475.677 6.219 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000016806626 523946793 /nfs/dbraw/zinc/94/67/93/523946793.db2.gz JKQQZFGEGCJVND-SANMLTNESA-N 0 1 457.505 5.026 50 0 JKAAMN CCc1ccc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129362 523977453 /nfs/dbraw/zinc/97/74/53/523977453.db2.gz ZUTSZUAFFDDXOB-UHFFFAOYSA-N 0 1 457.578 5.124 50 0 JKAAMN COc1ccc(CN2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)c(F)c1 ZINC000014883010 524023968 /nfs/dbraw/zinc/02/39/68/524023968.db2.gz FNUQCPFJSZHAPZ-LJAQVGFWSA-N 0 1 487.619 5.357 50 0 JKAAMN COc1ccc(CN2CCN(Cc3csc(C)c3-c3ccc(C)cc3)CC2)c(OC)c1OC 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527550022 /nfs/dbraw/zinc/55/00/22/527550022.db2.gz HTCWRRYMCLFPDM-AREMUKBSSA-N 0 1 483.612 5.625 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036303579 527550241 /nfs/dbraw/zinc/55/02/41/527550241.db2.gz RADPXSGCUBYGHE-QHCPKHFHSA-N 0 1 484.040 5.624 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@H](O)COCC(C)C)CC1CC1 ZINC000036303590 527550486 /nfs/dbraw/zinc/55/04/86/527550486.db2.gz RNZFMONFRWAKSP-DEOSSOPVSA-N 0 1 498.067 5.872 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036304919 527550972 /nfs/dbraw/zinc/55/09/72/527550972.db2.gz YXADIAHPMVHFAV-VWLOTQADSA-N 0 1 477.649 5.669 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036304799 527551021 /nfs/dbraw/zinc/55/10/21/527551021.db2.gz LTDMMPARNXPNNL-MHZLTWQESA-N 0 1 467.613 5.849 50 0 JKAAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102890557 535452047 /nfs/dbraw/zinc/45/20/47/535452047.db2.gz QHCVLWLGAGYSTJ-RUZDIDTESA-N 0 1 461.675 7.144 50 0 JKAAMN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000802066 553784498 /nfs/dbraw/zinc/78/44/98/553784498.db2.gz HGFHUHMLZIJOAS-UHFFFAOYSA-N 0 1 455.750 5.700 50 0 JKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 ZINC000000843775 553794427 /nfs/dbraw/zinc/79/44/27/553794427.db2.gz MMBRGOFXLZCPGQ-UHFFFAOYSA-N 0 1 471.365 6.200 50 0 JKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C)c(C)c4)cs3)cc2)n1 ZINC000000848825 553797630 /nfs/dbraw/zinc/79/76/30/553797630.db2.gz OYHGWICVDBVXOF-UHFFFAOYSA-N 0 1 465.604 5.378 50 0 JKAAMN CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944096 553878389 /nfs/dbraw/zinc/87/83/89/553878389.db2.gz XSDQVGQIZKDGDN-CYBMUJFWSA-N 0 1 452.403 6.691 50 0 JKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000000945483 553879357 /nfs/dbraw/zinc/87/93/57/553879357.db2.gz YVXPTZKSWBKBEZ-UHFFFAOYSA-N 0 1 472.979 5.015 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccccc2Br)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000956466 553884221 /nfs/dbraw/zinc/88/42/21/553884221.db2.gz RCKLVCPXAMYIHO-JOCHJYFZSA-N 0 1 477.358 5.045 50 0 JKAAMN Cc1ccc(N(C(=O)c2ccccc2Br)C2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000956466 553884225 /nfs/dbraw/zinc/88/42/25/553884225.db2.gz RCKLVCPXAMYIHO-JOCHJYFZSA-N 0 1 477.358 5.045 50 0 JKAAMN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN(C)Cc4ccccc4)ccc3c2=O)c1 ZINC000001810997 553992245 /nfs/dbraw/zinc/99/22/45/553992245.db2.gz WSVWAQVQGFAFDK-JOCHJYFZSA-N 0 1 459.542 5.074 50 0 JKAAMN CCc1ccc(N=C2C[C@H](c3ccc(Br)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002058701 554015666 /nfs/dbraw/zinc/01/56/66/554015666.db2.gz XMFJHEHEFNPSRE-RUZDIDTESA-N 0 1 461.403 6.658 50 0 JKAAMN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000002152811 554071104 /nfs/dbraw/zinc/07/11/04/554071104.db2.gz ATXSCTNMZRRSPG-UHFFFAOYSA-N 0 1 463.783 5.023 50 0 JKAAMN CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000002163082 554074933 /nfs/dbraw/zinc/07/49/33/554074933.db2.gz NWRPBSSZGVEOME-UHFFFAOYSA-N 0 1 467.978 6.155 50 0 JKAAMN Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000002209431 554094426 /nfs/dbraw/zinc/09/44/26/554094426.db2.gz AFWXVGVLMNSEKH-UBFVSLLYSA-N 0 1 488.465 5.910 50 0 JKAAMN O=S(=O)(Nc1cc2nc3ccccc3nc2n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000002215837 554097860 /nfs/dbraw/zinc/09/78/60/554097860.db2.gz MATAVBVMUDASBU-UHFFFAOYSA-N 0 1 450.523 5.528 50 0 JKAAMN Cc1cc2c(cc1C)CSC(c1cc(Br)cc(Br)c1O)SC2 ZINC000002268097 554125617 /nfs/dbraw/zinc/12/56/17/554125617.db2.gz CUPPDGXDDGSZIT-UHFFFAOYSA-N 0 1 460.256 6.713 50 0 JKAAMN COc1cc2cccnc2c(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2ccccc2)c1 ZINC000002293431 554136584 /nfs/dbraw/zinc/13/65/84/554136584.db2.gz UAEULXQFHDLVMJ-UHFFFAOYSA-N 0 1 483.549 5.450 50 0 biogenic JKAAMN Clc1cccc(-c2nc(-c3ccc(Br)s3)[nH]c2-c2ccccc2)c1Cl ZINC000002312002 554143874 /nfs/dbraw/zinc/14/38/74/554143874.db2.gz UCUJVXKWEJXVNO-UHFFFAOYSA-N 0 1 450.188 7.542 50 0 JKAAMN Cc1nn2c(nc3c(c2N2CCN(Cc4ccc(C)cc4C)CC2)CCCC3)c1-c1ccccc1 ZINC000002327824 554150125 /nfs/dbraw/zinc/15/01/25/554150125.db2.gz YBGBEOFHVGKLKL-UHFFFAOYSA-N 0 1 465.645 5.523 50 0 JKAAMN Cc1ccc(CN2CCN(c3cc(C(C)(C)C)nc4c(-c5ccccc5)cnn43)CC2)c(C)c1 ZINC000002334838 554153104 /nfs/dbraw/zinc/15/31/04/554153104.db2.gz SQJFBHSYTMMRNZ-UHFFFAOYSA-N 0 1 453.634 5.633 50 0 JKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000002338591 554155256 /nfs/dbraw/zinc/15/52/56/554155256.db2.gz VPDMIFBMKKHBHS-OAQYLSRUSA-N 0 1 484.191 6.296 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000002373976 554172571 /nfs/dbraw/zinc/17/25/71/554172571.db2.gz DYWADYLSDWXVEG-PVTPYKNESA-N 0 1 476.532 5.068 50 0 JKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000002373976 554172574 /nfs/dbraw/zinc/17/25/74/554172574.db2.gz DYWADYLSDWXVEG-PVTPYKNESA-N 0 1 476.532 5.068 50 0 JKAAMN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(Cc3ccc(C)cc3C)CC2)c1-c1ccccc1 ZINC000002402414 554186587 /nfs/dbraw/zinc/18/65/87/554186587.db2.gz ZJWCUQCEZZOVHQ-UHFFFAOYSA-N 0 1 467.661 5.941 50 0 JKAAMN COc1ccc(-c2coc3cc(OCc4ccc(Br)cc4)cc(O)c3c2=O)cc1OC ZINC000002433404 554206140 /nfs/dbraw/zinc/20/61/40/554206140.db2.gz GZZGJRLQWYMGGS-UHFFFAOYSA-N 0 1 483.314 5.524 50 0 biogenic JKAAMN COc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)c1 ZINC000002623422 554247408 /nfs/dbraw/zinc/24/74/08/554247408.db2.gz DCVLSGZJPMXMOW-UHFFFAOYSA-N 0 1 451.331 5.055 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccccc1-c1ccccc1 ZINC000002638712 554258539 /nfs/dbraw/zinc/25/85/39/554258539.db2.gz MWNPMYWZWMGWQO-UHFFFAOYSA-N 0 1 465.376 5.632 50 0 JKAAMN COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002639981 554259480 /nfs/dbraw/zinc/25/94/80/554259480.db2.gz SXONJABGRIKQMD-UHFFFAOYSA-N 0 1 450.491 5.041 50 0 aggregator JKAAMN O=C(NC1CCCC1)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000002646445 554263959 /nfs/dbraw/zinc/26/39/59/554263959.db2.gz XAZQAJWMTSLMQB-UHFFFAOYSA-N 0 1 481.323 5.485 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002662253 554275584 /nfs/dbraw/zinc/27/55/84/554275584.db2.gz QADBUIRHXAQRSW-UHFFFAOYSA-N 0 1 491.720 5.637 50 0 JKAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1Cc1cccs1 ZINC000002662751 554275891 /nfs/dbraw/zinc/27/58/91/554275891.db2.gz IEXYFVPHRGBCMN-UHFFFAOYSA-N 0 1 487.448 5.737 50 0 JKAAMN COc1cc2ncc(C(=O)c3ccc(C)cc3)c(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC ZINC000002694461 554291837 /nfs/dbraw/zinc/29/18/37/554291837.db2.gz VHIGYYQQFAHKBA-UHFFFAOYSA-N 0 1 485.559 5.257 50 0 JKAAMN COc1ccc([C@H](CC(=O)NCc2ccco2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000002709021 554296696 /nfs/dbraw/zinc/29/66/96/554296696.db2.gz UAZLVVFIMJAHDL-FQEVSTJZSA-N 0 1 468.966 5.267 50 0 JKAAMN Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1Cc1ccco1 ZINC000002726150 554312461 /nfs/dbraw/zinc/31/24/61/554312461.db2.gz QOKVPCMXTUKVDK-UHFFFAOYSA-N 0 1 471.380 5.269 50 0 JKAAMN O=C(Nc1c(F)c(F)c(Br)c(F)c1F)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002777565 554340392 /nfs/dbraw/zinc/34/03/92/554340392.db2.gz VNXFHOQQGUIPOR-UHFFFAOYSA-N 0 1 479.178 5.116 50 0 JKAAMN Ic1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000002900139 554410051 /nfs/dbraw/zinc/41/00/51/554410051.db2.gz SUVGRFWXZSLWHB-UHFFFAOYSA-N 0 1 498.367 7.682 50 0 JKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000003217006 554431859 /nfs/dbraw/zinc/43/18/59/554431859.db2.gz ORVSMPAXNPMGJW-UHFFFAOYSA-N 0 1 495.815 6.041 50 0 JKAAMN CCN(CC)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000003218387 554432242 /nfs/dbraw/zinc/43/22/42/554432242.db2.gz FCSPMJBPUUGPTL-UHFFFAOYSA-N 0 1 461.675 6.733 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003244559 554436302 /nfs/dbraw/zinc/43/63/02/554436302.db2.gz HMZSJWAFLDLMLU-UHFFFAOYSA-N 0 1 499.548 5.557 50 0 JKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 ZINC000003286299 554443508 /nfs/dbraw/zinc/44/35/08/554443508.db2.gz UXOBTVCNMOBATH-UHFFFAOYSA-N 0 1 489.435 6.195 50 0 JKAAMN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000003287660 554443791 /nfs/dbraw/zinc/44/37/91/554443791.db2.gz CPDSZQDJUZTJHY-UHFFFAOYSA-N 0 1 498.601 5.063 50 0 JKAAMN O=S(=O)(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000003331640 554453165 /nfs/dbraw/zinc/45/31/65/554453165.db2.gz BGRNKBIVYIIVRT-UHFFFAOYSA-N 0 1 477.895 6.012 50 0 JKAAMN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003340807 554454513 /nfs/dbraw/zinc/45/45/13/554454513.db2.gz KMCXPLRLVXJKGM-UHFFFAOYSA-N 0 1 495.475 5.468 50 0 JKAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003349335 554455868 /nfs/dbraw/zinc/45/58/68/554455868.db2.gz FDWQQONYFKBQMG-UHFFFAOYSA-N 0 1 454.964 5.148 50 0 JKAAMN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 ZINC000003448437 554464908 /nfs/dbraw/zinc/46/49/08/554464908.db2.gz PQDMITQRUDNZSK-UHFFFAOYSA-N 0 1 492.626 5.670 50 0 JKAAMN Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000004156663 554476042 /nfs/dbraw/zinc/47/60/42/554476042.db2.gz ZVKIXFOBIXHTHR-UHFFFAOYSA-N 0 1 491.958 6.104 50 0 JKAAMN CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000006056170 554500939 /nfs/dbraw/zinc/50/09/39/554500939.db2.gz GISLDICXCIUEJM-UHFFFAOYSA-N 0 1 495.557 5.205 50 0 JKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)c1C ZINC000006144651 554510252 /nfs/dbraw/zinc/51/02/52/554510252.db2.gz QYUQRGXIYNUYLQ-HHHXNRCGSA-N 0 1 485.653 6.649 50 0 JKAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000006146670 554510697 /nfs/dbraw/zinc/51/06/97/554510697.db2.gz SLCKJFXMHOBLBY-UHFFFAOYSA-N 0 1 459.365 5.119 50 0 JKAAMN CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000006266825 554523177 /nfs/dbraw/zinc/52/31/77/554523177.db2.gz WVQNEZZPZOMJEE-UHFFFAOYSA-N 0 1 459.571 5.631 50 0 JKAAMN COc1cc(OC)c(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000006458871 554541897 /nfs/dbraw/zinc/54/18/97/554541897.db2.gz SKKXCSVAXPFVKU-UHFFFAOYSA-N 0 1 490.559 6.668 50 0 JKAAMN CC(C)(C)c1cc(O)c(Sc2cc(Cl)c(Cl)cc2Cl)c(=O)n1-c1ccccc1 ZINC000008384903 554568037 /nfs/dbraw/zinc/56/80/37/554568037.db2.gz XLIBXYRGBONSMO-UHFFFAOYSA-N 0 1 454.806 6.952 50 0 JKAAMN O=C(c1ccccc1)c1cccc(-c2nc(-c3cccc4ccccc43)[nH]c2-c2ccccc2)c1 ZINC000008425662 554580459 /nfs/dbraw/zinc/58/04/59/554580459.db2.gz MLVJOVSSHGSXKV-UHFFFAOYSA-N 0 1 450.541 7.795 50 0 JKAAMN COc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccccc4O)=C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000008753973 554655640 /nfs/dbraw/zinc/65/56/40/554655640.db2.gz GQSJJJRUCAJTKI-VHTFYLNKSA-N 0 1 461.465 5.055 50 0 JKAAMN COc1ccc2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3cccs3)[nH]c2c1 ZINC000008758668 554660751 /nfs/dbraw/zinc/66/07/51/554660751.db2.gz YZEMCKARNAWJEN-KRWDZBQOSA-N 0 1 454.602 5.165 50 0 JKAAMN COc1ccc2nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3cccs3)[nH]c2c1 ZINC000008758672 554660782 /nfs/dbraw/zinc/66/07/82/554660782.db2.gz YZEMCKARNAWJEN-QGZVFWFLSA-N 0 1 454.602 5.165 50 0 JKAAMN Cc1nc(SCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[nH]c1-c1ccccc1 ZINC000008813302 554695689 /nfs/dbraw/zinc/69/56/89/554695689.db2.gz WAKFOJLLFMYTRM-UHFFFAOYSA-N 0 1 471.608 5.399 50 0 JKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000008830934 554720541 /nfs/dbraw/zinc/72/05/41/554720541.db2.gz MZBURFSISKNQGR-UHFFFAOYSA-N 0 1 456.885 6.533 50 0 JKAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000008845253 554741724 /nfs/dbraw/zinc/74/17/24/554741724.db2.gz CLNUBFWLILHUDR-MHZLTWQESA-N 0 1 487.556 5.617 50 0 JKAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000008845255 554742031 /nfs/dbraw/zinc/74/20/31/554742031.db2.gz HNVZWNHOGPKFJN-SANMLTNESA-N 0 1 473.529 5.227 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)c(C)cc4O)c3[C@@H]2c2ccccc2)cc1 ZINC000008845341 554742282 /nfs/dbraw/zinc/74/22/82/554742282.db2.gz LMVCSGFKYIDSMP-MHZLTWQESA-N 0 1 453.542 5.196 50 0 JKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845382 554742362 /nfs/dbraw/zinc/74/23/62/554742362.db2.gz IPXJVMJEWAABRQ-XMMPIXPASA-N 0 1 479.920 5.187 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008845516 554742874 /nfs/dbraw/zinc/74/28/74/554742874.db2.gz QUURUQKUWBTENJ-MHZLTWQESA-N 0 1 483.568 5.204 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccccc2F)cc1 ZINC000008845521 554742921 /nfs/dbraw/zinc/74/29/21/554742921.db2.gz BNHUMRRXRHUNRJ-AREMUKBSSA-N 0 1 471.532 5.335 50 0 JKAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000008845463 554742925 /nfs/dbraw/zinc/74/29/25/554742925.db2.gz AIMDOYLKLGUIRJ-MHZLTWQESA-N 0 1 484.556 5.110 50 0 JKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccccc2)cc1 ZINC000008845559 554743158 /nfs/dbraw/zinc/74/31/58/554743158.db2.gz NZXKMEWFJISLKB-SANMLTNESA-N 0 1 453.542 5.196 50 0 JKAAMN COc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1OC ZINC000008853403 554749515 /nfs/dbraw/zinc/74/95/15/554749515.db2.gz XHXOURIHYSQTSY-UHFFFAOYSA-N 0 1 458.517 6.639 50 0 JKAAMN CCN(CC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008867308 554761151 /nfs/dbraw/zinc/76/11/51/554761151.db2.gz HGENVHOJUWMFOK-RUZDIDTESA-N 0 1 467.573 5.152 50 0 JKAAMN C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc5c6c(cccc64)C(=O)N5C)c4ccccc34)c2C1 ZINC000008870444 554765606 /nfs/dbraw/zinc/76/56/06/554765606.db2.gz IKVXXYCCPFDVBD-MRXNPFEDSA-N 0 1 496.588 6.255 50 0 JKAAMN COc1ccc([C@H](CN2C(=O)[C@@H](C)S[C@@H]2c2ccc(Br)s2)N2CCCC2)cc1 ZINC000008881271 554776500 /nfs/dbraw/zinc/77/65/00/554776500.db2.gz XEJIPRBVPNAAKE-DAESXHAQSA-N 0 1 481.481 5.319 50 0 JKAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCC2)cc1 ZINC000008916983 554811728 /nfs/dbraw/zinc/81/17/28/554811728.db2.gz 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JKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008923480 554820644 /nfs/dbraw/zinc/82/06/44/554820644.db2.gz PENHTNCABBXZHG-HXUWFJFHSA-N 0 1 462.402 6.510 50 0 JKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923415 554820693 /nfs/dbraw/zinc/82/06/93/554820693.db2.gz ACPAXFXCAQQBHA-JOCHJYFZSA-N 0 1 497.642 5.623 50 0 JKAAMN COc1ccc(CSc2nc3cc(OC)c(OC)cc3c3nc(O)c(CC4CCCCC4)n32)cc1 ZINC000008925857 554822126 /nfs/dbraw/zinc/82/21/26/554822126.db2.gz OLQYEFJJSKFMNX-JOCHJYFZSA-N 0 1 493.629 5.575 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000008956103 554836987 /nfs/dbraw/zinc/83/69/87/554836987.db2.gz QLTGGASIGLMESI-UHFFFAOYSA-N 0 1 471.991 5.620 50 0 JKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000008964537 554838502 /nfs/dbraw/zinc/83/85/02/554838502.db2.gz PEUKIZKLYMKQRA-FQNXFSSYSA-N 0 1 490.603 5.447 50 0 biogenic JKAAMN 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1 494.458 6.046 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000009046380 554870464 /nfs/dbraw/zinc/87/04/64/554870464.db2.gz HOZHSWCIRHTBMH-VWLOTQADSA-N 0 1 497.595 5.002 50 0 JKAAMN Cc1c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc(=O)c1CCC(=O)NCCc1cnc[nH]1 ZINC000009060041 554878538 /nfs/dbraw/zinc/87/85/38/554878538.db2.gz ZAIREHRJGHGEGU-UHFFFAOYSA-N 0 1 475.932 5.183 50 0 JKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009075537 554886698 /nfs/dbraw/zinc/88/66/98/554886698.db2.gz IWRYMFUIBSOYMV-UBFVSLLYSA-N 0 1 454.913 5.544 50 0 JKAAMN Cc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000009076026 554887152 /nfs/dbraw/zinc/88/71/52/554887152.db2.gz CVXLMFCXTSELCS-ZYTZQALASA-N 0 1 497.614 7.014 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3cc(C)ccc3C)C[C@H]21 ZINC000009087597 554889542 /nfs/dbraw/zinc/88/95/42/554889542.db2.gz DVFUTYABNNCWPA-HHHXNRCGSA-N 0 1 467.613 5.848 50 0 JKAAMN COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000009126048 554919276 /nfs/dbraw/zinc/91/92/76/554919276.db2.gz CAMPKCSFBHXNFQ-OAQYLSRUSA-N 0 1 454.954 5.088 50 0 JKAAMN COc1ccccc1-c1c(C(F)(F)F)n[nH]c1-c1ccc(OCc2ccccc2C)cc1O ZINC000009129956 554928780 /nfs/dbraw/zinc/92/87/80/554928780.db2.gz LFQYKLCTCZIXGZ-UHFFFAOYSA-N 0 1 454.448 6.364 50 0 JKAAMN CCc1nnsc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009134414 554932003 /nfs/dbraw/zinc/93/20/03/554932003.db2.gz DNFSAILNSDSNTF-UHFFFAOYSA-N 0 1 460.437 5.370 50 0 JKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(N3CCc4ccccc43)s2)CC1 ZINC000009229181 555003527 /nfs/dbraw/zinc/00/35/27/555003527.db2.gz HAURCOFCGXFWLX-UHFFFAOYSA-N 0 1 495.092 5.346 50 0 JKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000009233347 555006242 /nfs/dbraw/zinc/00/62/42/555006242.db2.gz BUTKOIZGNNHAIB-AREMUKBSSA-N 0 1 453.586 5.539 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000009234202 555007614 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ZJRITHPOYQYRMN-UHFFFAOYSA-N 0 1 475.589 5.395 50 0 JKAAMN Oc1cc(OCc2c(F)cccc2Cl)ccc1-c1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000009282258 555051912 /nfs/dbraw/zinc/05/19/12/555051912.db2.gz YAVGYLJBHYYHQI-UHFFFAOYSA-N 0 1 497.275 7.493 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009307942 555081341 /nfs/dbraw/zinc/08/13/41/555081341.db2.gz HXYQOQWNORDOMZ-GFQWBHFJSA-N 0 1 482.967 5.211 50 0 JKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccnc1)[C@@]21c2ccccc2NC1=O ZINC000009309159 555083348 /nfs/dbraw/zinc/08/33/48/555083348.db2.gz SIIKHIDEESCFAH-SQRAXXTESA-N 0 1 491.591 5.060 50 0 JKAAMN COc1ccc(Cl)c2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000009325709 555097386 /nfs/dbraw/zinc/09/73/86/555097386.db2.gz BYLHTYFNRNFMDY-UHFFFAOYSA-N 0 1 487.990 5.320 50 0 JKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000009349143 555115736 /nfs/dbraw/zinc/11/57/36/555115736.db2.gz OEOHYZVOMLNDOX-UHFFFAOYSA-N 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UDPOLYHDULIOKO-UHFFFAOYSA-N 0 1 492.528 5.680 50 0 JKAAMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000010060231 555612460 /nfs/dbraw/zinc/61/24/60/555612460.db2.gz BKBDMGZWNMTBTC-UHFFFAOYSA-N 0 1 482.607 6.470 50 0 JKAAMN Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000013787439 555619762 /nfs/dbraw/zinc/61/97/62/555619762.db2.gz WYMGHHKMSKGCID-SANMLTNESA-N 0 1 458.005 6.184 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000013811682 555628847 /nfs/dbraw/zinc/62/88/47/555628847.db2.gz OGBHQOYWBIVLPL-QFIPXVFZSA-N 0 1 491.942 5.620 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000013815909 555629374 /nfs/dbraw/zinc/62/93/74/555629374.db2.gz KBMBZUNNLALHFQ-QFIPXVFZSA-N 0 1 491.942 5.620 50 0 JKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000013896576 555643747 /nfs/dbraw/zinc/64/37/47/555643747.db2.gz WIDHLIKSWDJPQY-UHFFFAOYSA-N 0 1 491.613 5.111 50 0 JKAAMN Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccccc4Br)n[nH]3)n2)cc1 ZINC000014068120 555677149 /nfs/dbraw/zinc/67/71/49/555677149.db2.gz MSHJVNNJLHXDHF-UHFFFAOYSA-N 0 1 486.420 5.397 50 0 JKAAMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014095125 555687660 /nfs/dbraw/zinc/68/76/60/555687660.db2.gz TWYOVEKATKSKIA-BXKMTCNYSA-N 0 1 453.380 5.014 50 0 JKAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCc3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC000010381821 555701808 /nfs/dbraw/zinc/70/18/08/555701808.db2.gz MCGQYRFKPOMHIY-DEOSSOPVSA-N 0 1 488.613 5.071 50 0 JKAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014138662 555705066 /nfs/dbraw/zinc/70/50/66/555705066.db2.gz WBEPZIWAKIORLO-OAQYLSRUSA-N 0 1 479.580 5.904 50 0 JKAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214696 555710746 /nfs/dbraw/zinc/71/07/46/555710746.db2.gz CFAFSCRUCHNSQL-SANMLTNESA-N 0 1 495.620 5.073 50 0 JKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NCCc2ccc(C)cc2)C1 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HYVYERBCMMYRGX-UHFFFAOYSA-N 0 1 499.036 5.122 50 0 JKAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020329079 555775304 /nfs/dbraw/zinc/77/53/04/555775304.db2.gz BVFBLBKKGXFYJJ-UHFFFAOYSA-N 0 1 485.009 5.079 50 0 JKAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)Nc4ccc(C(C)C)cc4)c3=O)c2c1 ZINC000020330613 555775919 /nfs/dbraw/zinc/77/59/19/555775919.db2.gz ZMPGMLRPKGQMQZ-UHFFFAOYSA-N 0 1 450.564 5.091 50 0 JKAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)Nc4cccc(C(F)(F)F)c4)c3=O)c2c1 ZINC000020331282 555776295 /nfs/dbraw/zinc/77/62/95/555776295.db2.gz YNDMBMSBKUSAIT-UHFFFAOYSA-N 0 1 490.507 5.377 50 0 JKAAMN CN(C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Br)cc2s1 ZINC000011612413 555789794 /nfs/dbraw/zinc/78/97/94/555789794.db2.gz XEKINHAGHIBWOP-UHFFFAOYSA-N 0 1 454.393 5.420 50 0 JKAAMN CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000011614389 555790969 /nfs/dbraw/zinc/79/09/69/555790969.db2.gz MEQKQOKWAFKGGX-VWLOTQADSA-N 0 1 488.971 5.132 50 0 JKAAMN 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469.699 5.213 50 0 JKAAMN [O-]c1c([C@@H](c2cccs2)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031036 555864596 /nfs/dbraw/zinc/86/45/96/555864596.db2.gz DEDJATAZLLMICP-HSZRJFAPSA-N 0 1 487.654 5.055 50 0 JKAAMN Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022034381 555864825 /nfs/dbraw/zinc/86/48/25/555864825.db2.gz ZBIAKUMOEKILTF-UHFFFAOYSA-N 0 1 491.626 5.750 50 0 world JKAAMN Cc1ccc(-n2nc(CN3CCN(Cc4ccccc4)CC3)c(-c3ccccc3)c2N)cc1Cl ZINC000022037832 555865254 /nfs/dbraw/zinc/86/52/54/555865254.db2.gz ROSZAEOIUJRRCS-UHFFFAOYSA-N 0 1 472.036 5.401 50 0 JKAAMN CCOc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000011915152 555866271 /nfs/dbraw/zinc/86/62/71/555866271.db2.gz YBWFMJFNKJTJRX-UHFFFAOYSA-N 0 1 481.508 6.300 50 0 JKAAMN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000011915647 555866861 /nfs/dbraw/zinc/86/68/61/555866861.db2.gz GJORUVMSVKRMSA-UHFFFAOYSA-N 0 1 485.471 6.049 50 0 JKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915757 555866865 /nfs/dbraw/zinc/86/68/65/555866865.db2.gz XFUJCOFNESVOFC-UHFFFAOYSA-N 0 1 460.848 6.364 50 0 JKAAMN COC(=O)c1sc2nc(CN(C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1ccc(C)cc1 ZINC000015067599 555867479 /nfs/dbraw/zinc/86/74/79/555867479.db2.gz LRTGZLMOULTZMX-INIZCTEOSA-N 0 1 479.627 5.898 50 0 JKAAMN C(=C/c1ccco1)\CN1CCC(c2nnc(SCC3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC000015071656 555870823 /nfs/dbraw/zinc/87/08/23/555870823.db2.gz SUCDYLXMVFWLJR-QMASLXIKSA-N 0 1 470.683 5.615 50 0 JKAAMN Cc1ccc2occ(CN3CCC4(C[C@@H]4C(=O)NCC4(c5ccccc5)CCCC4)CC3)c(=O)c2c1 ZINC000011971704 555873880 /nfs/dbraw/zinc/87/38/80/555873880.db2.gz JFOHWMXLPAGUEO-AREMUKBSSA-N 0 1 484.640 5.332 50 0 JKAAMN Cc1ccc2occ(CN3CCC4(C[C@H]4C(=O)NCC4(c5ccccc5)CCCC4)CC3)c(=O)c2c1 ZINC000011971714 555873902 /nfs/dbraw/zinc/87/39/02/555873902.db2.gz JFOHWMXLPAGUEO-SANMLTNESA-N 0 1 484.640 5.332 50 0 JKAAMN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2cccc(Cl)c21 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ZINC000100750378 569768877 /nfs/dbraw/zinc/76/88/77/569768877.db2.gz RYOHQUMVBIBPHS-MYUZEXMDSA-N 0 1 458.514 5.867 50 0 biogenic JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036346340 569769513 /nfs/dbraw/zinc/76/95/13/569769513.db2.gz VIULAZBSMAEKOM-AREMUKBSSA-N 0 1 471.576 5.680 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346426 569769792 /nfs/dbraw/zinc/76/97/92/569769792.db2.gz HUKBYGVYRJYPDO-RUZDIDTESA-N 0 1 481.612 5.358 50 0 JKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)COC(C)C)CC1CC1 ZINC000036346419 569769795 /nfs/dbraw/zinc/76/97/95/569769795.db2.gz WXJHIVPEWPVKGJ-DEOSSOPVSA-N 0 1 467.585 5.110 50 0 JKAAMN COc1ccc(-n2nc(C(C)C)c(CN(C[C@@H](O)COC(C)C)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346468 569769846 /nfs/dbraw/zinc/76/98/46/569769846.db2.gz OAEQQKCOTODTDR-XMMPIXPASA-N 0 1 495.664 5.793 50 0 JKAAMN CCC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346484 569769875 /nfs/dbraw/zinc/76/98/75/569769875.db2.gz KPJCHFIJAJZBAX-HSZRJFAPSA-N 0 1 463.622 5.922 50 0 JKAAMN COc1ccc(-n2nc(C(C)C)c(CN(C[C@H](O)COC(C)C)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346467 569769977 /nfs/dbraw/zinc/76/99/77/569769977.db2.gz OAEQQKCOTODTDR-DEOSSOPVSA-N 0 1 495.664 5.793 50 0 JKAAMN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346547 569770152 /nfs/dbraw/zinc/77/01/52/569770152.db2.gz VBKOQMQWZPXCRQ-RUZDIDTESA-N 0 1 491.676 5.923 50 0 JKAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346552 569770170 /nfs/dbraw/zinc/77/01/70/569770170.db2.gz XUMMMRRDOXDYIK-XMMPIXPASA-N 0 1 463.622 5.145 50 0 JKAAMN CCCCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346617 569770286 /nfs/dbraw/zinc/77/02/86/569770286.db2.gz ZHDMPAKBUCLVJY-HSZRJFAPSA-N 0 1 487.591 5.641 50 0 JKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346615 569770431 /nfs/dbraw/zinc/77/04/31/569770431.db2.gz ZRHGXEHGWCLBFK-QFIPXVFZSA-N 0 1 457.565 6.014 50 0 JKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346656 569770467 /nfs/dbraw/zinc/77/04/67/569770467.db2.gz LXACEASVEDFNSR-XMMPIXPASA-N 0 1 487.591 5.497 50 0 JKAAMN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)COCC(C)C)C(C)C ZINC000036346700 569770523 /nfs/dbraw/zinc/77/05/23/569770523.db2.gz HOFNTEMVTVGZTD-XMMPIXPASA-N 0 1 487.591 5.495 50 0 JKAAMN CCCCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346676 569770610 /nfs/dbraw/zinc/77/06/10/569770610.db2.gz UNGGWZDENUHHHX-DEOSSOPVSA-N 0 1 487.591 5.641 50 0 JKAAMN CCCCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346769 569770832 /nfs/dbraw/zinc/77/08/32/569770832.db2.gz IIECWYPGCXXSFC-XMMPIXPASA-N 0 1 487.591 5.641 50 0 JKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@H]3c3cccc(O)c3)c2c1 ZINC000036359096 569772320 /nfs/dbraw/zinc/77/23/20/569772320.db2.gz RIAIXNDHUGOHJV-HHHXNRCGSA-N 0 1 464.525 5.060 50 0 JKAAMN CSc1ccc([C@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100885098 569774211 /nfs/dbraw/zinc/77/42/11/569774211.db2.gz POLMJDIEAXQIPX-FKBYEOEOSA-N 0 1 484.499 5.478 50 0 JKAAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000100991334 569778696 /nfs/dbraw/zinc/77/86/96/569778696.db2.gz FODDKUWTGZMFIU-KWMCUTETSA-N 0 1 491.418 7.954 50 0 JKAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000101035559 569780338 /nfs/dbraw/zinc/78/03/38/569780338.db2.gz HEBPGXFSRJKKIQ-BDTNDASRSA-N 0 1 469.324 5.053 50 0 JKAAMN CCCCn1c(=S)n(CN2CCC[C@H]2c2cc(OC)ccc2OC)nc1[C@@H](CC)N(C)C ZINC000037200206 569781584 /nfs/dbraw/zinc/78/15/84/569781584.db2.gz RGMISIFYKJPALE-RTWAWAEBSA-N 0 1 461.676 5.039 50 0 JKAAMN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037280047 569782500 /nfs/dbraw/zinc/78/25/00/569782500.db2.gz DJSPAWGRYQCADC-UHFFFAOYSA-N 0 1 490.600 5.032 50 0 JKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000101132980 569784156 /nfs/dbraw/zinc/78/41/56/569784156.db2.gz BIKJDPZMJZZOFU-XRHLQHRESA-N 0 1 458.514 5.867 50 0 JKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101180614 569786320 /nfs/dbraw/zinc/78/63/20/569786320.db2.gz XYZIWRRLWQCUOS-PFBJBMPXSA-N 0 1 486.568 5.098 50 0 JKAAMN COc1cccc(CC(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)c1 ZINC000101193514 569786797 /nfs/dbraw/zinc/78/67/97/569786797.db2.gz YWERHKJMZBNEMN-UHFFFAOYSA-N 0 1 467.569 6.056 50 0 JKAAMN COc1ccccc1Nc1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2nc2c1CCCC2 ZINC000101193477 569786865 /nfs/dbraw/zinc/78/68/65/569786865.db2.gz HISMUMPFYWPIGP-UHFFFAOYSA-N 0 1 487.987 6.537 50 0 JKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101216929 569787344 /nfs/dbraw/zinc/78/73/44/569787344.db2.gz QELXDQHSKNAKKE-NXCFDTQHSA-N 0 1 490.531 5.064 50 0 JKAAMN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000037554268 569794623 /nfs/dbraw/zinc/79/46/23/569794623.db2.gz DBYSBHMOIWOCDF-UHFFFAOYSA-N 0 1 473.583 6.099 50 0 JKAAMN COc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037570542 569795717 /nfs/dbraw/zinc/79/57/17/569795717.db2.gz JWCNVQTXDFEVHZ-UHFFFAOYSA-N 0 1 464.631 5.172 50 0 JKAAMN Cc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000037570701 569795837 /nfs/dbraw/zinc/79/58/37/569795837.db2.gz UUCRLHJQEIUQLO-UHFFFAOYSA-N 0 1 452.595 5.302 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@H]3c2cccs2)cc1 ZINC000101397886 569796238 /nfs/dbraw/zinc/79/62/38/569796238.db2.gz ARRPKFNIJJIOLD-PPHZAIPVSA-N 0 1 456.611 7.226 50 0 JKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037580731 569796609 /nfs/dbraw/zinc/79/66/09/569796609.db2.gz OHUXBZLZEIZYNC-UHFFFAOYSA-N 0 1 458.602 5.578 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 ZINC000101406699 569796799 /nfs/dbraw/zinc/79/67/99/569796799.db2.gz UCTPCJLQWHNNDW-XJFCNFDWSA-N 0 1 479.624 7.520 50 0 JKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101439122 569797531 /nfs/dbraw/zinc/79/75/31/569797531.db2.gz CSXQOSJXANIMDW-JPZYQRIQSA-N 0 1 498.598 7.431 50 0 JKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101439119 569797574 /nfs/dbraw/zinc/79/75/74/569797574.db2.gz CSXQOSJXANIMDW-WKRVVKTRSA-N 0 1 498.598 7.431 50 0 JKAAMN CC1=C(CC(=O)Nc2nc3ccccc3[nH]2)c2cc(F)ccc2C1=Cc1ccc([S@@](C)=O)cc1 ZINC000101467758 569798732 /nfs/dbraw/zinc/79/87/32/569798732.db2.gz WDVHAZDJFJYPIZ-XFDJCJCVSA-N 0 1 471.557 5.796 50 0 JKAAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3F)C2)cc1 ZINC000101469557 569798906 /nfs/dbraw/zinc/79/89/06/569798906.db2.gz FPYYQBPCNSWULV-DWXRJYCRSA-N 0 1 494.488 7.247 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000101483399 569799250 /nfs/dbraw/zinc/79/92/50/569799250.db2.gz PNXHEHGDFVTLPT-UZTOHYMASA-N 0 1 460.936 7.049 50 0 JKAAMN Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=Nc3ccccc3S2)s1 ZINC000101494737 569799795 /nfs/dbraw/zinc/79/97/95/569799795.db2.gz GZRYPMJMDOUUAX-FQEVSTJZSA-N 0 1 496.013 5.613 50 0 JKAAMN Cc1ccsc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2O)=Nc2ccccc2S1 ZINC000101494819 569800068 /nfs/dbraw/zinc/80/00/68/569800068.db2.gz TYMHARCVTGXEMT-IBGZPJMESA-N 0 1 496.013 5.613 50 0 JKAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=Nc2ccccc2S[C@H](c2ccccc2)C1 ZINC000101495082 569800187 /nfs/dbraw/zinc/80/01/87/569800187.db2.gz PTUINWDCJLRVGI-NRFANRHFSA-N 0 1 475.957 5.243 50 0 JKAAMN COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)=Nc2ccccc2S1 ZINC000101495516 569800368 /nfs/dbraw/zinc/80/03/68/569800368.db2.gz BHQSEACHWCSXQY-XMMPIXPASA-N 0 1 499.592 5.215 50 0 JKAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000101495657 569800741 /nfs/dbraw/zinc/80/07/41/569800741.db2.gz ZDQCGHNVVRNFRT-IBGZPJMESA-N 0 1 481.986 5.304 50 0 JKAAMN COc1ccc(OC)c([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)c1 ZINC000038546142 569802639 /nfs/dbraw/zinc/80/26/39/569802639.db2.gz BYZOIUFRAZBSCU-VWLOTQADSA-N 0 1 480.630 6.065 50 0 JKAAMN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCCC2)cc1OC ZINC000038545996 569802646 /nfs/dbraw/zinc/80/26/46/569802646.db2.gz COSGFDGJWHWVPU-HSZRJFAPSA-N 0 1 470.660 6.271 50 0 JKAAMN O=C(Nc1sc2c(c1[C@@H](c1ccccc1Cl)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545964 569802716 /nfs/dbraw/zinc/80/27/16/569802716.db2.gz XNTIXUZAXUZYES-HSZRJFAPSA-N 0 1 455.023 6.701 50 0 JKAAMN COc1ccc(OC)c([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)c1 ZINC000038546143 569802720 /nfs/dbraw/zinc/80/27/20/569802720.db2.gz BYZOIUFRAZBSCU-RUZDIDTESA-N 0 1 480.630 6.065 50 0 JKAAMN CCc1cc([C@@H](c2ccc(OC)cc2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546297 569802743 /nfs/dbraw/zinc/80/27/43/569802743.db2.gz BBCULINQZSPTQS-XMMPIXPASA-N 0 1 468.619 5.994 50 0 JKAAMN CCc1cc([C@H](c2ccc(OC)cc2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546298 569802806 /nfs/dbraw/zinc/80/28/06/569802806.db2.gz BBCULINQZSPTQS-DEOSSOPVSA-N 0 1 468.619 5.994 50 0 JKAAMN CCOC(=O)C1CCN([C@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546397 569803093 /nfs/dbraw/zinc/80/30/93/569803093.db2.gz AAMSITXGHIMDHQ-HSZRJFAPSA-N 0 1 498.670 5.898 50 0 JKAAMN CCc1cc([C@H](c2ccc(SC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546548 569803224 /nfs/dbraw/zinc/80/32/24/569803224.db2.gz CRXCROQPGDAWQM-QHCPKHFHSA-N 0 1 469.676 5.605 50 0 JKAAMN CCc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546549 569803302 /nfs/dbraw/zinc/80/33/02/569803302.db2.gz YJYSCCLEMQXXPQ-RUZDIDTESA-N 0 1 465.663 6.006 50 0 JKAAMN CCN1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(OC)c2)CC1 ZINC000038546569 569803359 /nfs/dbraw/zinc/80/33/59/569803359.db2.gz OTFDWOXVWSLSBD-VWLOTQADSA-N 0 1 479.646 5.208 50 0 JKAAMN CCN1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546581 569803363 /nfs/dbraw/zinc/80/33/63/569803363.db2.gz BWGHHZJGJVLDLH-DEOSSOPVSA-N 0 1 467.610 5.338 50 0 JKAAMN CCN1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000038546575 569803391 /nfs/dbraw/zinc/80/33/91/569803391.db2.gz YZFVJYRRPKRNJN-DEOSSOPVSA-N 0 1 484.065 5.853 50 0 JKAAMN CCN1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(OC)cc2)CC1 ZINC000038546567 569803407 /nfs/dbraw/zinc/80/34/07/569803407.db2.gz JDFXRGWFCLTJCO-VWLOTQADSA-N 0 1 479.646 5.208 50 0 JKAAMN CCN1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C)cc2)CC1 ZINC000038546592 569803438 /nfs/dbraw/zinc/80/34/38/569803438.db2.gz OVVMJBQNJBLSID-VWLOTQADSA-N 0 1 463.647 5.508 50 0 JKAAMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(OC)c2OC)CC1 ZINC000038550549 569805042 /nfs/dbraw/zinc/80/50/42/569805042.db2.gz OEROBQJWJIQZJK-QHCPKHFHSA-N 0 1 499.702 5.423 50 0 JKAAMN O[C@@H]1C[C@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000102056193 569809271 /nfs/dbraw/zinc/80/92/71/569809271.db2.gz FXLMKLWTDDMCBW-LUKWVAJMSA-N 0 1 487.235 6.132 50 0 JKAAMN COc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1Cl ZINC000101828188 569805572 /nfs/dbraw/zinc/80/55/72/569805572.db2.gz AEDJAAJPUNRCNQ-UHFFFAOYSA-N 0 1 458.905 5.041 50 0 JKAAMN CCOc1ccccc1NC(=O)c1sc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)nc1C ZINC000101832455 569805699 /nfs/dbraw/zinc/80/56/99/569805699.db2.gz QZDSRRUWKYOLSO-UHFFFAOYSA-N 0 1 462.575 5.201 50 0 JKAAMN Clc1ccc(OC2=CCN(CCCN(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000039281603 569809371 /nfs/dbraw/zinc/80/93/71/569809371.db2.gz RBYOVPBMRAJTHT-UHFFFAOYSA-N 0 1 453.413 7.190 50 0 JKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C(c1nc3ccccc3s1)C(c1ccccc1)=N2 ZINC000102152267 569810263 /nfs/dbraw/zinc/81/02/63/569810263.db2.gz RKJDUPAEARQCQH-MHZLTWQESA-N 0 1 497.627 7.311 50 0 JKAAMN CC(C)Oc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000102374653 569812610 /nfs/dbraw/zinc/81/26/10/569812610.db2.gz HKUZBJLQHWSFOK-LJAQVGFWSA-N 0 1 480.608 7.580 50 0 JKAAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000102622046 569814677 /nfs/dbraw/zinc/81/46/77/569814677.db2.gz IDWZOJHSJUIOBE-QFIPXVFZSA-N 0 1 458.480 6.440 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OCCC)c1 ZINC000102641332 569814818 /nfs/dbraw/zinc/81/48/18/569814818.db2.gz UZKQPJLQFYROBD-GDLZYMKVSA-N 0 1 474.645 7.848 50 0 JKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCCCC)cc1 ZINC000102641356 569814830 /nfs/dbraw/zinc/81/48/30/569814830.db2.gz UKFUTHWIEMAFOS-PMERELPUSA-N 0 1 488.672 8.238 50 0 JKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1 ZINC000102646220 569814929 /nfs/dbraw/zinc/81/49/29/569814929.db2.gz CTHGSJFTACRCNV-ZTOMLWHTSA-N 0 1 465.597 6.949 50 0 JKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)C1 ZINC000102648602 569815040 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CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137839955 569865252 /nfs/dbraw/zinc/86/52/52/569865252.db2.gz RWOJXXMELXBCQV-OYUWMTPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137838612 569865323 /nfs/dbraw/zinc/86/53/23/569865323.db2.gz UWYACZATRJHYMB-JIMJEQGWSA-N 0 1 490.531 5.064 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137808183 569865327 /nfs/dbraw/zinc/86/53/27/569865327.db2.gz KGTCDSBYSHPIRU-RBZQAINGSA-N 0 1 460.961 5.689 50 0 JKAAMN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137808183 569865328 /nfs/dbraw/zinc/86/53/28/569865328.db2.gz KGTCDSBYSHPIRU-RBZQAINGSA-N 0 1 460.961 5.689 50 0 JKAAMN CSc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000137900537 569865475 /nfs/dbraw/zinc/86/54/75/569865475.db2.gz POLMJDIEAXQIPX-BHDDXSALSA-N 0 1 484.499 5.478 50 0 JKAAMN CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@@H](C)CC ZINC000169677649 569868825 /nfs/dbraw/zinc/86/88/25/569868825.db2.gz DJXZBNVSSCHMDO-SIKLNZKXSA-N 0 1 455.574 5.110 50 0 JKAAMN CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000169678870 569869350 /nfs/dbraw/zinc/86/93/50/569869350.db2.gz WYYCHIWVOIVBSD-ZEQKJWHPSA-N 0 1 477.649 5.510 50 0 JKAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(Cl)c2)C[C@@H](O)COCc2ccccc2)C1 ZINC000169681555 569870725 /nfs/dbraw/zinc/87/07/25/569870725.db2.gz OVTBGHDYMHFNQI-FTJBHMTQSA-N 0 1 479.020 5.221 50 0 JKAAMN C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000195554449 569873647 /nfs/dbraw/zinc/87/36/47/569873647.db2.gz XNSULRDAZVJFJG-KHFUDFDISA-N 0 1 496.482 6.991 50 0 JKAAMN C[C@@H]1CCCCN1CC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000195554449 569873648 /nfs/dbraw/zinc/87/36/48/569873648.db2.gz XNSULRDAZVJFJG-KHFUDFDISA-N 0 1 496.482 6.991 50 0 JKAAMN Cc1nc2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]43)cc2[nH]1 ZINC000217849600 569881833 /nfs/dbraw/zinc/88/18/33/569881833.db2.gz RYFFOTUTDJJEOQ-HHHXNRCGSA-N 0 1 493.567 5.185 50 0 biogenic JKAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]1 ZINC000225546001 570004588 /nfs/dbraw/zinc/00/45/88/570004588.db2.gz QOPYGPQMPJGEHH-UHFFFAOYSA-N 0 1 460.578 5.743 50 0 JKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N21 ZINC000226838254 570038659 /nfs/dbraw/zinc/03/86/59/570038659.db2.gz JQGVMZCUNUMEHY-MLSLEFIRSA-N 0 1 484.555 5.402 50 0 JKAAMN COc1cccc([C@@H]2c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000226820758 570038729 /nfs/dbraw/zinc/03/87/29/570038729.db2.gz JAKSDEKBLIRJKK-BHDDXSALSA-N 0 1 469.324 5.053 50 0 JKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000226826904 570038764 /nfs/dbraw/zinc/03/87/64/570038764.db2.gz GXPWKMBLSASAPE-OYUWMTPXSA-N 0 1 486.568 5.234 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000226838687 570038788 /nfs/dbraw/zinc/03/87/88/570038788.db2.gz DXFZWQNVFLFBHW-OSSDZZHWSA-N 0 1 482.967 5.211 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226837858 570038814 /nfs/dbraw/zinc/03/88/14/570038814.db2.gz HXYQOQWNORDOMZ-OSSDZZHWSA-N 0 1 482.967 5.211 50 0 JKAAMN Oc1c2c(c(O)n1-c1cccc(Cl)c1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000230028767 570043760 /nfs/dbraw/zinc/04/37/60/570043760.db2.gz LQZRBGXDTNKSHL-YTFSRNRJSA-N 0 1 490.346 5.593 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000230203236 570046272 /nfs/dbraw/zinc/04/62/72/570046272.db2.gz LGTRHQZPAVTYED-XZSZPMDUSA-N 0 1 480.564 5.258 50 0 JKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000230203236 570046273 /nfs/dbraw/zinc/04/62/73/570046273.db2.gz LGTRHQZPAVTYED-XZSZPMDUSA-N 0 1 480.564 5.258 50 0 JKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@H]3C2=O)cc1 ZINC000239403174 570051570 /nfs/dbraw/zinc/05/15/70/570051570.db2.gz ROOIBETVYZGEJE-ZONZVBGPSA-N 0 1 464.521 5.290 50 0 JKAAMN COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000245245755 570058990 /nfs/dbraw/zinc/05/89/90/570058990.db2.gz PMPAMSURRMCKHB-GWJPWWOOSA-N 0 1 473.520 5.830 50 0 JKAAMN C[C@@H]1CCCCN1CC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000245285554 570062611 /nfs/dbraw/zinc/06/26/11/570062611.db2.gz XNSULRDAZVJFJG-XBXXPFBDSA-N 0 1 496.482 6.991 50 0 JKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000245312516 570063707 /nfs/dbraw/zinc/06/37/07/570063707.db2.gz VJCOJKUPZDCPIP-GSTLAZBSSA-N 0 1 482.967 5.292 50 0 JKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000245330405 570066704 /nfs/dbraw/zinc/06/67/04/570066704.db2.gz YFBGMVCZRADOID-KDYSTLNUSA-N 0 1 499.696 5.112 50 0 JKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000248052441 570073211 /nfs/dbraw/zinc/07/32/11/570073211.db2.gz AYQFJXQPCMBHOI-AJTFRIOCSA-N 0 1 493.717 5.034 50 0 JKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248077431 570073626 /nfs/dbraw/zinc/07/36/26/570073626.db2.gz IRXHKOJMANALLP-VMODYCNZSA-N 0 1 495.733 5.280 50 0 JKAAMN CCCCCCC(=O)N1CCN(C(=O)[C@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104757 570074161 /nfs/dbraw/zinc/07/41/61/570074161.db2.gz QKGDKLXZHSQQTI-WXVAWEFUSA-N 0 1 481.706 5.034 50 0 JKAAMN CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248249910 570076720 /nfs/dbraw/zinc/07/67/20/570076720.db2.gz RYFZSHRMILLWDS-NAKRPHOHSA-N 0 1 462.584 5.979 50 0 JKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000248258975 570077116 /nfs/dbraw/zinc/07/71/16/570077116.db2.gz LVLYEPAAFQPDFO-PCEYSVKOSA-N 0 1 476.576 5.275 50 0 JKAAMN O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253402731 570096656 /nfs/dbraw/zinc/09/66/56/570096656.db2.gz GQKVEZZTFOPKCY-INIZCTEOSA-N 0 1 484.838 5.861 50 0 JKAAMN O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253402731 570096657 /nfs/dbraw/zinc/09/66/57/570096657.db2.gz GQKVEZZTFOPKCY-INIZCTEOSA-N 0 1 484.838 5.861 50 0 JKAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)c(OC)c1 ZINC000253412485 570097960 /nfs/dbraw/zinc/09/79/60/570097960.db2.gz RDPNSBJNNTYUMS-QGZVFWFLSA-N 0 1 478.884 5.277 50 0 biogenic JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253413184 570098210 /nfs/dbraw/zinc/09/82/10/570098210.db2.gz UBTDYWNWIBWLHO-INIZCTEOSA-N 0 1 486.863 5.366 50 0 biogenic JKAAMN Cc1ccc2nc(CC[C@@H](C)[C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@@]43C)[nH]c2c1 ZINC000253532444 570103182 /nfs/dbraw/zinc/10/31/82/570103182.db2.gz YBTASYSZWGVCAL-ZQQOQWKUSA-N 0 1 478.721 6.431 50 0 JKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1cccnc1Cl)CC(=O)O2 ZINC000263588183 570172408 /nfs/dbraw/zinc/17/24/08/570172408.db2.gz QDIVASKULICKTG-AWEZNQCLSA-N 0 1 454.265 5.308 50 0 JKAAMN