smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CCCCC3)n(C[C@@H](O)COc3ccc(I)cc3)c2c(=O)[nH]c1=O ZINC000000627234 551504041 /nfs/dbraw/zinc/50/40/41/551504041.db2.gz BCIHRYHLTRORNG-CQSZACIVSA-N 0 0 525.347 1.458 50 0 KDAARN Cn1c2nc(N3CCCCCC3)n(C[C@@H](O)COc3ccc(I)cc3)c2c(=O)[nH]c1=O ZINC000000628054 551504259 /nfs/dbraw/zinc/50/42/59/551504259.db2.gz MSGDDDIFNUAXNO-OAHLLOKOSA-N 0 0 539.374 1.848 50 0 KDAARN COc1ccc(OC[C@H](O)Cn2c(NCCc3ccc(OC)c(OC)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000628179 551504270 /nfs/dbraw/zinc/50/42/70/551504270.db2.gz PVHYCOHTSBKLAA-QGZVFWFLSA-N 0 0 525.562 1.544 50 0 KDAARN Cn1c2nc(Br)n(C[C@H](O)COc3ccc(I)cc3)c2c(=O)[nH]c1=O ZINC000000633339 551505567 /nfs/dbraw/zinc/50/55/67/551505567.db2.gz FXRMKIZRHCWMNZ-VIFPVBQESA-N 0 0 521.109 1.230 50 0 KDAARN Cn1c2nc(Br)n(C[C@@H](O)COc3ccc(I)cc3)c2c(=O)[nH]c1=O ZINC000000633342 551505574 /nfs/dbraw/zinc/50/55/74/551505574.db2.gz FXRMKIZRHCWMNZ-SECBINFHSA-N 0 0 521.109 1.230 50 0 KDAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000634871 193860613 /nfs/dbraw/zinc/86/06/13/193860613.db2.gz XPUQSYQHXJEOJH-IBGZPJMESA-N 0 0 506.563 1.198 50 0 KDAARN COc1ccc(OC[C@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000634874 551505807 /nfs/dbraw/zinc/50/58/07/551505807.db2.gz XPUQSYQHXJEOJH-LJQANCHMSA-N 0 0 506.563 1.198 50 0 KDAARN COc1ccc(OC[C@@H](O)Cn2c3c(nc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000000634877 551505894 /nfs/dbraw/zinc/50/58/94/551505894.db2.gz QHHGLEGYJAHVKF-FQEVSTJZSA-N 0 0 520.590 1.209 50 0 KDAARN Cc1ccccc1OC[C@H](O)Cn1c2c(nc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n(C)c2=O ZINC000000634886 551505906 /nfs/dbraw/zinc/50/59/06/551505906.db2.gz GCFQONNJAZHNFU-OAQYLSRUSA-N 0 0 504.591 1.509 50 0 KDAARN Cc1ccccc1OC[C@@H](O)Cn1c2c(nc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n(C)c2=O ZINC000000634889 551505891 /nfs/dbraw/zinc/50/58/91/551505891.db2.gz GCFQONNJAZHNFU-NRFANRHFSA-N 0 0 504.591 1.509 50 0 KDAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1 ZINC000000638995 551506879 /nfs/dbraw/zinc/50/68/79/551506879.db2.gz JBKSGKAPEKXXJH-UHFFFAOYSA-N 0 0 579.438 1.717 50 0 KDAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)OCC)CC3)c2)CC1 ZINC000000645212 551507734 /nfs/dbraw/zinc/50/77/34/551507734.db2.gz ZFQMBUHUPTZZQW-UHFFFAOYSA-N 0 0 530.665 1.923 50 0 KDAARN O=C(Cn1cc(F)c(=O)n(CC(=O)Nc2ccc(Br)cn2)c1=O)Nc1ccc(Br)cn1 ZINC000000651909 551512991 /nfs/dbraw/zinc/51/29/91/551512991.db2.gz SBIGUUMCOCSVTP-UHFFFAOYSA-N 0 0 556.146 1.742 50 0 KDAARN COc1ccc(OC)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 ZINC000000672568 551519713 /nfs/dbraw/zinc/51/97/13/551519713.db2.gz ODCDWNCMOMTIIX-UHFFFAOYSA-N 0 0 500.595 1.806 50 0 KDAARN Cn1c2nc(N3CCCCCC3)n(C[C@H](O)COc3ccc(I)cc3)c2c(=O)[nH]c1=O ZINC000000677096 551522142 /nfs/dbraw/zinc/52/21/42/551522142.db2.gz MSGDDDIFNUAXNO-HNNXBMFYSA-N 0 0 539.374 1.848 50 0 KDAARN Cn1c2nc(SCC(=O)N3CCOCC3)n(Cc3cccc(I)c3)c2c(=O)n(C)c1=O ZINC000000678336 551522637 /nfs/dbraw/zinc/52/26/37/551522637.db2.gz OICNNHLJSWYRRT-UHFFFAOYSA-N 0 0 555.398 1.038 50 0 KDAARN CCOc1ccc(Cn2c(SCC(=O)N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000000720782 551537177 /nfs/dbraw/zinc/53/71/77/551537177.db2.gz KNWYTGWFFMKLTI-UHFFFAOYSA-N 0 0 517.608 1.230 50 0 KDAARN O[C@@H](COc1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 ZINC000000820861 551544112 /nfs/dbraw/zinc/54/41/12/551544112.db2.gz YMFVLSLGXRHKJT-WMPKNSHKSA-N 0 0 548.688 1.600 50 0 KDAARN O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 ZINC000000820862 551544011 /nfs/dbraw/zinc/54/40/11/551544011.db2.gz YMFVLSLGXRHKJT-CLJLJLNGSA-N 0 0 548.688 1.600 50 0 KDAARN O[C@H](COc1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 ZINC000000820863 551544028 /nfs/dbraw/zinc/54/40/28/551544028.db2.gz YMFVLSLGXRHKJT-UIOOFZCWSA-N 0 0 548.688 1.600 50 0 KDAARN COc1ccc(OC[C@@H](O)Cn2c(NCCc3ccc(OC)c(OC)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000822338 551544310 /nfs/dbraw/zinc/54/43/10/551544310.db2.gz PVHYCOHTSBKLAA-KRWDZBQOSA-N 0 0 525.562 1.544 50 0 KDAARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3ccc(I)cc3)c2c(=O)[nH]c1=O ZINC000000824763 551544599 /nfs/dbraw/zinc/54/45/99/551544599.db2.gz BCIHRYHLTRORNG-AWEZNQCLSA-N 0 0 525.347 1.458 50 0 KDAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000827993 551545435 /nfs/dbraw/zinc/54/54/35/551545435.db2.gz BQAAKMXRAKNJDO-QZTJIDSGSA-N 0 0 516.506 1.758 50 0 KDAARN O=C1c2ccccc2C(=O)N1C[C@H](O)COc1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000827994 551545479 /nfs/dbraw/zinc/54/54/79/551545479.db2.gz BQAAKMXRAKNJDO-ROUUACIJSA-N 0 0 516.506 1.758 50 0 KDAARN O=C(NCc1ccccn1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000835613 551546812 /nfs/dbraw/zinc/54/68/12/551546812.db2.gz IQVOYBFAXFADTF-JOCHJYFZSA-N 0 0 500.602 1.462 50 0 KDAARN O=C(NCc1cccnc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000835614 551546827 /nfs/dbraw/zinc/54/68/27/551546827.db2.gz GSYJFVWIOGZDBE-JOCHJYFZSA-N 0 0 500.602 1.462 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1OC ZINC000000860075 551551041 /nfs/dbraw/zinc/55/10/41/551551041.db2.gz BCGFTYIHEMNDGI-GRTQGXPSSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1OC ZINC000000860080 551551049 /nfs/dbraw/zinc/55/10/49/551551049.db2.gz BCGFTYIHEMNDGI-STIKNRRDSA-N 0 0 522.579 1.567 50 0 KDAARN CC1(C)C(=O)N(C[C@H](O)CNc2ccccc2)C(=O)N1CN1C(=O)N(C[C@H](O)CNc2ccccc2)C(=O)C1(C)C ZINC000000864278 551552332 /nfs/dbraw/zinc/55/23/32/551552332.db2.gz ARBNOTHFMBZDLR-DHIUTWEWSA-N 0 0 566.659 1.976 50 0 KDAARN CC1(C)C(=O)N(C[C@H](O)CNc2ccccc2)C(=O)N1CN1C(=O)N(C[C@@H](O)CNc2ccccc2)C(=O)C1(C)C ZINC000000864279 551552312 /nfs/dbraw/zinc/55/23/12/551552312.db2.gz ARBNOTHFMBZDLR-ZRZAMGCNSA-N 0 0 566.659 1.976 50 0 KDAARN CC1(C)C(=O)N(C[C@@H](O)CNc2ccccc2)C(=O)N1CN1C(=O)N(C[C@@H](O)CNc2ccccc2)C(=O)C1(C)C ZINC000000864281 551552348 /nfs/dbraw/zinc/55/23/48/551552348.db2.gz ARBNOTHFMBZDLR-GOTSBHOMSA-N 0 0 566.659 1.976 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 ZINC000000989076 551593093 /nfs/dbraw/zinc/59/30/93/551593093.db2.gz WQQAXTIMFPSTHD-STIKNRRDSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 ZINC000000989078 551593129 /nfs/dbraw/zinc/59/31/29/551593129.db2.gz WQQAXTIMFPSTHD-GRTQGXPSSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OC)[C@H]1c1cccc(OC)c1 ZINC000000989080 551593075 /nfs/dbraw/zinc/59/30/75/551593075.db2.gz XSLKIPUMCHKLFF-DTBYZMGXSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 ZINC000000989082 551593112 /nfs/dbraw/zinc/59/31/12/551593112.db2.gz XSLKIPUMCHKLFF-QRRJMBGHSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3OC)sc2=C(C(=O)OC)[C@H]1c1ccccc1OC ZINC000000989089 551593295 /nfs/dbraw/zinc/59/32/95/551593295.db2.gz KDIAUGYLPJSCSB-STIKNRRDSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3OC)sc2=C(C(=O)OC)[C@@H]1c1ccccc1OC ZINC000000989091 551593213 /nfs/dbraw/zinc/59/32/13/551593213.db2.gz KDIAUGYLPJSCSB-GRTQGXPSSA-N 0 0 522.579 1.567 50 0 KDAARN COC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1 ZINC000000989138 551593170 /nfs/dbraw/zinc/59/31/70/551593170.db2.gz VYAXPNLMEWTCES-OKPNHQCWSA-N 0 0 536.606 1.956 50 0 KDAARN COC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1 ZINC000000989140 551593194 /nfs/dbraw/zinc/59/31/94/551593194.db2.gz VYAXPNLMEWTCES-URBQWANRSA-N 0 0 536.606 1.956 50 0 KDAARN CN1c2ccccc2/C(=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)C1=O ZINC000001065549 551601969 /nfs/dbraw/zinc/60/19/69/551601969.db2.gz SVXIMYXNJTVBOR-PGXSHFROSA-N 0 0 536.617 1.965 50 0 KDAARN CCCn1c(Oc2cccc(Oc3nc4c(c(=O)n(C)c(=O)n4C)n3CCC)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001128110 551614846 /nfs/dbraw/zinc/61/48/46/551614846.db2.gz NOPQWNLOMVZRSK-UHFFFAOYSA-N 0 0 550.576 1.585 50 0 KDAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br ZINC000001172798 551620435 /nfs/dbraw/zinc/62/04/35/551620435.db2.gz MIGIXLVGEOEQQU-UHFFFAOYSA-N 0 0 532.438 1.875 50 0 KDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OC)=C(N)O1 ZINC000001245315 551631574 /nfs/dbraw/zinc/63/15/74/551631574.db2.gz GJXAUQXONWGLIU-OAQYLSRUSA-N 0 0 509.309 1.783 50 0 KDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OC)=C(N)O1 ZINC000001245316 551631548 /nfs/dbraw/zinc/63/15/48/551631548.db2.gz GJXAUQXONWGLIU-NRFANRHFSA-N 0 0 509.309 1.783 50 0 KDAARN Cn1c2nc(N3CCc4ccccc4C3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000001255957 551633183 /nfs/dbraw/zinc/63/31/83/551633183.db2.gz YZNAZSZMJZVKBF-UHFFFAOYSA-N 0 0 515.603 1.764 50 0 KDAARN Cc1cc(C)nc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000001265659 551634006 /nfs/dbraw/zinc/63/40/06/551634006.db2.gz MCPGRNDXKVJRHD-UHFFFAOYSA-N 0 0 506.636 1.959 50 0 KDAARN CCN(CC)Cc1nc2c(c(=O)n(CCOC(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)n2C)n1C ZINC000001305138 551638522 /nfs/dbraw/zinc/63/85/22/551638522.db2.gz FMUQMLMBOWBVII-UHFFFAOYSA-N 0 0 503.556 1.158 50 0 KDAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000001408596 551663705 /nfs/dbraw/zinc/66/37/05/551663705.db2.gz DBICCEHDUKKJEE-UHFFFAOYSA-N 0 0 502.618 1.768 50 0 KDAARN COC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1OC ZINC000001436628 551671155 /nfs/dbraw/zinc/67/11/55/551671155.db2.gz OVECOZGWFQYZJK-LJLZWOEMSA-N 0 0 508.552 1.177 50 0 KDAARN COC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1OC ZINC000001436630 551671231 /nfs/dbraw/zinc/67/12/31/551671231.db2.gz OVECOZGWFQYZJK-CWDSQJGSSA-N 0 0 508.552 1.177 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000001444052 551673804 /nfs/dbraw/zinc/67/38/04/551673804.db2.gz GJUFPAZNBPFNRI-UHFFFAOYSA-N 0 0 500.595 1.806 50 0 KDAARN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000001467098 551680127 /nfs/dbraw/zinc/68/01/27/551680127.db2.gz RPYOQSQAINUUEA-CNSVBDKNSA-N 0 0 506.536 1.981 50 0 KDAARN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000001467100 551680199 /nfs/dbraw/zinc/68/01/99/551680199.db2.gz RPYOQSQAINUUEA-FNGUVFISSA-N 0 0 506.536 1.981 50 0 KDAARN O=S(=O)(c1ccccc1)N1CN(S(=O)(=O)c2ccccc2)CN(S(=O)(=O)c2ccccc2)C1 ZINC000001735322 551690845 /nfs/dbraw/zinc/69/08/45/551690845.db2.gz ZMEDTJVWRLFNFS-UHFFFAOYSA-N 0 0 507.615 1.945 50 0 KDAARN O=S(=O)(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001765281 551694926 /nfs/dbraw/zinc/69/49/26/551694926.db2.gz SZUZDCCPCZULNI-UHFFFAOYSA-N 0 0 585.509 1.868 50 0 KDAARN COC(=O)C1=c2sc(=Cc3cccnc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000001767466 551695486 /nfs/dbraw/zinc/69/54/86/551695486.db2.gz SEOQBBUYBNOTQV-DTBYZMGXSA-N 0 0 532.603 1.208 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000001787803 551701081 /nfs/dbraw/zinc/70/10/81/551701081.db2.gz SKTFMJGARNAKHS-STIKNRRDSA-N 0 0 578.599 1.123 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000001787807 551701100 /nfs/dbraw/zinc/70/11/00/551701100.db2.gz SKTFMJGARNAKHS-GRTQGXPSSA-N 0 0 578.599 1.123 50 0 KDAARN NS(=O)(=O)c1ccc(N[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1 ZINC000001805279 551704609 /nfs/dbraw/zinc/70/46/09/551704609.db2.gz PHWHZLLNMJVHKD-INIZCTEOSA-N 0 0 541.822 1.403 50 0 KDAARN NS(=O)(=O)c1ccc(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1 ZINC000001805281 551704534 /nfs/dbraw/zinc/70/45/34/551704534.db2.gz PHWHZLLNMJVHKD-MRXNPFEDSA-N 0 0 541.822 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/nfs/dbraw/zinc/71/67/18/551716718.db2.gz VSUHIAUOHDAOEY-OAQYLSRUSA-N 0 0 524.477 1.998 50 0 KDAARN O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000001859537 551716880 /nfs/dbraw/zinc/71/68/80/551716880.db2.gz ZOWHADDFZZEYNJ-SFHVURJKSA-N 0 0 500.842 1.867 50 0 KDAARN O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000001859538 551716908 /nfs/dbraw/zinc/71/69/08/551716908.db2.gz ZOWHADDFZZEYNJ-GOSISDBHSA-N 0 0 500.842 1.867 50 0 KDAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001868344 551718513 /nfs/dbraw/zinc/71/85/13/551718513.db2.gz XYBDMVXFQAWRIO-NRFANRHFSA-N 0 0 508.409 1.529 50 0 KDAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001868345 551718545 /nfs/dbraw/zinc/71/85/45/551718545.db2.gz XYBDMVXFQAWRIO-OAQYLSRUSA-N 0 0 508.409 1.529 50 0 KDAARN COC(=O)CC1=C(C(=O)OC)[C@]2(c3ccccc3N(CC(=O)OCc3ccccc3)C2=O)C(C(=O)OC)=C(N)O1 ZINC000001868873 551718775 /nfs/dbraw/zinc/71/87/75/551718775.db2.gz RSNMVGZSWIEGJO-MUUNZHRXSA-N 0 0 550.520 1.378 50 0 KDAARN COC(=O)CC1=C(C(=O)OC)[C@@]2(c3ccccc3N(CC(=O)OCc3ccccc3)C2=O)C(C(=O)OC)=C(N)O1 ZINC000001868874 551718799 /nfs/dbraw/zinc/71/87/99/551718799.db2.gz RSNMVGZSWIEGJO-NDEPHWFRSA-N 0 0 550.520 1.378 50 0 KDAARN COC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001879254 551723811 /nfs/dbraw/zinc/72/38/11/551723811.db2.gz ZOXIYCJHLRJPSU-HNLWVNFGSA-N 0 0 568.604 1.194 50 0 KDAARN COC(=O)C1=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001879256 551723800 /nfs/dbraw/zinc/72/38/00/551723800.db2.gz ZOXIYCJHLRJPSU-OCBOALCKSA-N 0 0 568.604 1.194 50 0 KDAARN COC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC)c(OC)c1 ZINC000001879259 551723869 /nfs/dbraw/zinc/72/38/69/551723869.db2.gz ZOXIYCJHLRJPSU-FVIRYLMMSA-N 0 0 568.604 1.194 50 0 KDAARN COC(=O)C1=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC)c(OC)c1 ZINC000001879261 551723856 /nfs/dbraw/zinc/72/38/56/551723856.db2.gz ZOXIYCJHLRJPSU-GUBQRQEFSA-N 0 0 568.604 1.194 50 0 KDAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c(OC)c1 ZINC000001879915 551724051 /nfs/dbraw/zinc/72/40/51/551724051.db2.gz UNIVMUYLLLDNHP-QFIPXVFZSA-N 0 0 504.421 1.742 50 0 KDAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c(OC)c1 ZINC000001879917 551724035 /nfs/dbraw/zinc/72/40/35/551724035.db2.gz UNIVMUYLLLDNHP-JOCHJYFZSA-N 0 0 504.421 1.742 50 0 KDAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001892527 551726709 /nfs/dbraw/zinc/72/67/09/551726709.db2.gz RRCMRONOXDSBAE-DEOSSOPVSA-N 0 0 548.474 1.945 50 0 KDAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001892531 551726703 /nfs/dbraw/zinc/72/67/03/551726703.db2.gz RRCMRONOXDSBAE-XMMPIXPASA-N 0 0 548.474 1.945 50 0 KDAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000002023191 551736244 /nfs/dbraw/zinc/73/62/44/551736244.db2.gz WJYGBPTUXKJMBX-UHFFFAOYSA-N 0 0 551.064 1.215 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(O)cc3)sc2=C(C(=O)OC(C)C)[C@H]1c1ccc(O)cc1 ZINC000002051462 551738807 /nfs/dbraw/zinc/73/88/07/551738807.db2.gz IVINJXFEYCJXJU-DTBYZMGXSA-N 0 0 522.579 1.740 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(O)cc3)sc2=C(C(=O)OC(C)C)[C@@H]1c1ccc(O)cc1 ZINC000002051464 551738751 /nfs/dbraw/zinc/73/87/51/551738751.db2.gz IVINJXFEYCJXJU-QRRJMBGHSA-N 0 0 522.579 1.740 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002058630 551740661 /nfs/dbraw/zinc/74/06/61/551740661.db2.gz YTKXMAMDWDGVBY-SADKCHQCSA-N 0 0 503.536 1.680 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002058632 551740711 /nfs/dbraw/zinc/74/07/11/551740711.db2.gz YTKXMAMDWDGVBY-AGGMBTAESA-N 0 0 503.536 1.680 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002059873 551741673 /nfs/dbraw/zinc/74/16/73/551741673.db2.gz FDAUQLBUTNRJLO-RKKARLDVSA-N 0 0 531.546 1.597 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002059875 551741667 /nfs/dbraw/zinc/74/16/67/551741667.db2.gz FDAUQLBUTNRJLO-VFJWVMJUSA-N 0 0 531.546 1.597 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002059877 551741657 /nfs/dbraw/zinc/74/16/57/551741657.db2.gz SGTRBJLXRAMJFV-SADKCHQCSA-N 0 0 503.536 1.680 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002059879 551741675 /nfs/dbraw/zinc/74/16/75/551741675.db2.gz SGTRBJLXRAMJFV-AGGMBTAESA-N 0 0 503.536 1.680 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002060534 551742177 /nfs/dbraw/zinc/74/21/77/551742177.db2.gz TWBVZYOVRACGTA-MYXKAAJQSA-N 0 0 575.599 1.996 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002060536 551742151 /nfs/dbraw/zinc/74/21/51/551742151.db2.gz TWBVZYOVRACGTA-QQYUXEJHSA-N 0 0 575.599 1.996 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(N)=O)C3=O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002063918 551744861 /nfs/dbraw/zinc/74/48/61/551744861.db2.gz IKRREFCMGYDKTH-AGGMBTAESA-N 0 0 536.997 1.654 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(N)=O)C3=O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002063920 551744790 /nfs/dbraw/zinc/74/47/90/551744790.db2.gz IKRREFCMGYDKTH-SADKCHQCSA-N 0 0 536.997 1.654 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002071008 551746866 /nfs/dbraw/zinc/74/68/66/551746866.db2.gz FJCKNFKZCBCUMM-AYWGPLOBSA-N 0 0 545.573 1.987 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002071009 551747120 /nfs/dbraw/zinc/74/71/20/551747120.db2.gz FJCKNFKZCBCUMM-FEYWKWKCSA-N 0 0 545.573 1.987 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002071010 551747123 /nfs/dbraw/zinc/74/71/23/551747123.db2.gz FJCKNFKZCBCUMM-ZHHPLPSFSA-N 0 0 545.573 1.987 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002071011 551747098 /nfs/dbraw/zinc/74/70/98/551747098.db2.gz FJCKNFKZCBCUMM-UGUGFTGJSA-N 0 0 545.573 1.987 50 0 KDAARN O=c1c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2oc(C(F)(F)F)c1-c1ccc2c(c1)OCCO2 ZINC000002090882 551758657 /nfs/dbraw/zinc/75/86/57/551758657.db2.gz HDBMUOUNOGEIDP-QRDGOAKLSA-N 0 0 526.416 1.429 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002109688 551766770 /nfs/dbraw/zinc/76/67/70/551766770.db2.gz TXIKBQYWWSLPJI-KWMCUTETSA-N 0 0 525.602 1.355 50 0 biogenic KDAARN Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(C)c2oc1=O ZINC000002109689 551766814 /nfs/dbraw/zinc/76/68/14/551766814.db2.gz HECFZBDSQFQFCH-XHCCPWGMSA-N 0 0 513.591 1.483 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(C)c(C)c(=O)oc2c1 ZINC000002109907 551766935 /nfs/dbraw/zinc/76/69/35/551766935.db2.gz KXINCAOQEWAXDE-XHCCPWGMSA-N 0 0 513.591 1.483 50 0 biogenic KDAARN CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002110678 551767106 /nfs/dbraw/zinc/76/71/06/551767106.db2.gz SNXKESNSEZNQHH-XHCCPWGMSA-N 0 0 513.591 1.429 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002110747 551767070 /nfs/dbraw/zinc/76/70/70/551767070.db2.gz NDZHVBKIFZZSOO-XGCWNURASA-N 0 0 511.575 1.047 50 0 biogenic KDAARN CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002110991 551767136 /nfs/dbraw/zinc/76/71/36/551767136.db2.gz ACEFRWYFDOKEAJ-XHCCPWGMSA-N 0 0 513.591 1.510 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002111093 551767302 /nfs/dbraw/zinc/76/73/02/551767302.db2.gz YTUKMTMUFQONEC-KWMCUTETSA-N 0 0 525.602 1.437 50 0 biogenic KDAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000002111514 551767628 /nfs/dbraw/zinc/76/76/28/551767628.db2.gz LCHGMGJQGGYDMD-XHCCPWGMSA-N 0 0 513.591 1.429 50 0 biogenic KDAARN NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002128808 551772371 /nfs/dbraw/zinc/77/23/71/551772371.db2.gz IMXIPLSGEPZDIJ-QTEQDKRBSA-N 0 0 535.626 1.874 50 0 biogenic KDAARN O=S(=O)(c1ccc(Oc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 ZINC000002184329 551786138 /nfs/dbraw/zinc/78/61/38/551786138.db2.gz DJZAXFLXPAAFOV-UHFFFAOYSA-N 0 0 512.562 1.249 50 0 KDAARN NN1C=NN2C(SCC(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)s3)=NN[C@@H]12 ZINC000002186351 551787431 /nfs/dbraw/zinc/78/74/31/551787431.db2.gz MOJOKKYDZNRRHH-ZDUSSCGKSA-N 0 0 533.452 1.840 50 0 KDAARN NN1C=NN2C(SCC(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)s3)=NN[C@H]12 ZINC000002186352 551787420 /nfs/dbraw/zinc/78/74/20/551787420.db2.gz MOJOKKYDZNRRHH-CYBMUJFWSA-N 0 0 533.452 1.840 50 0 KDAARN Cn1c2nc(SCC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000002192270 551790474 /nfs/dbraw/zinc/79/04/74/551790474.db2.gz DBOGWXIYYBUWNS-UHFFFAOYSA-N 0 0 580.030 1.546 50 0 KDAARN Cn1c(SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C ZINC000002192325 551790774 /nfs/dbraw/zinc/79/07/74/551790774.db2.gz WVRVQCQRLABLDR-UHFFFAOYSA-N 0 0 580.030 1.546 50 0 biogenic KDAARN Cc1ccc(Cn2c(SCC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000002192336 551790724 /nfs/dbraw/zinc/79/07/24/551790724.db2.gz OWIORHKQYTYEOR-UHFFFAOYSA-N 0 0 559.612 1.201 50 0 biogenic KDAARN Cc1ccccc1Cn1c(SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)nc2c1c(=O)n(C)c(=O)n2C ZINC000002192707 551791132 /nfs/dbraw/zinc/79/11/32/551791132.db2.gz CLBZLZUJZVRLKZ-UHFFFAOYSA-N 0 0 559.612 1.201 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1cccc(OC)c1 ZINC000002217779 551795377 /nfs/dbraw/zinc/79/53/77/551795377.db2.gz ZMXAXDSKCVWNMS-OKPNHQCWSA-N 0 0 536.606 1.957 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1cccc(OC)c1 ZINC000002217782 551795402 /nfs/dbraw/zinc/79/54/02/551795402.db2.gz ZMXAXDSKCVWNMS-URBQWANRSA-N 0 0 536.606 1.957 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 ZINC000002240102 551799003 /nfs/dbraw/zinc/79/90/03/551799003.db2.gz MTFWYRSDRQXBCK-GRTQGXPSSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 ZINC000002240104 551798979 /nfs/dbraw/zinc/79/89/79/551798979.db2.gz MTFWYRSDRQXBCK-STIKNRRDSA-N 0 0 522.579 1.567 50 0 KDAARN CN1c2ccccc2/C(=c2/sc3n(c2=O)CN(c2ccc(I)cc2)CN=3)C1=O ZINC000002261340 552084319 /nfs/dbraw/zinc/08/43/19/552084319.db2.gz NYERAWFFXIKWGW-MSUUIHNZSA-N 0 0 502.337 1.745 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(N)=O)C3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000002282020 551806192 /nfs/dbraw/zinc/80/61/92/551806192.db2.gz VKTMRTPUPMSNAR-AGGMBTAESA-N 0 0 502.552 1.000 50 0 KDAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(N)=O)C3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000002282022 551806181 /nfs/dbraw/zinc/80/61/81/551806181.db2.gz VKTMRTPUPMSNAR-SADKCHQCSA-N 0 0 502.552 1.000 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002287449 551807072 /nfs/dbraw/zinc/80/70/72/551807072.db2.gz YMFQLTXQMUTSLQ-SADKCHQCSA-N 0 0 505.552 1.772 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002287451 551807086 /nfs/dbraw/zinc/80/70/86/551807086.db2.gz YMFQLTXQMUTSLQ-AGGMBTAESA-N 0 0 505.552 1.772 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC(N)=O)C3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002288300 552087856 /nfs/dbraw/zinc/08/78/56/552087856.db2.gz FAZOSTMCIBBQCK-YDJIHCHBSA-N 0 0 522.970 1.264 50 0 KDAARN COC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC(N)=O)C3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002288302 552087852 /nfs/dbraw/zinc/08/78/52/552087852.db2.gz FAZOSTMCIBBQCK-NHFXJNLRSA-N 0 0 522.970 1.264 50 0 KDAARN COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 ZINC000002299233 551807663 /nfs/dbraw/zinc/80/76/63/551807663.db2.gz PORUIWYDZLVUMQ-GQEMFKIVSA-N 0 0 508.552 1.177 50 0 KDAARN COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 ZINC000002299234 551807695 /nfs/dbraw/zinc/80/76/95/551807695.db2.gz PORUIWYDZLVUMQ-OVCORXIESA-N 0 0 508.552 1.177 50 0 KDAARN COC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1cccc(OC)c1 ZINC000002299235 551807682 /nfs/dbraw/zinc/80/76/82/551807682.db2.gz PORUIWYDZLVUMQ-TVNWYLLRSA-N 0 0 508.552 1.177 50 0 KDAARN COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1cccc(OC)c1 ZINC000002299236 551807690 /nfs/dbraw/zinc/80/76/90/551807690.db2.gz PORUIWYDZLVUMQ-XLXASQRYSA-N 0 0 508.552 1.177 50 0 KDAARN COc1ccc(/C=c2\sc3nc(-c4nc5s/c(=C\c6ccc(OC)cc6)c(=O)n5n4)nn3c2=O)cc1 ZINC000002332760 552096314 /nfs/dbraw/zinc/09/63/14/552096314.db2.gz FANSALUVCYCILX-WHYMJUELSA-N 0 0 516.564 1.395 50 0 KDAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000002335847 552097019 /nfs/dbraw/zinc/09/70/19/552097019.db2.gz SWHHVRQRIJTRTF-QFIPXVFZSA-N 0 0 519.436 1.331 50 0 KDAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000002335849 552097151 /nfs/dbraw/zinc/09/71/51/552097151.db2.gz SWHHVRQRIJTRTF-JOCHJYFZSA-N 0 0 519.436 1.331 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000002350574 552099929 /nfs/dbraw/zinc/09/99/29/552099929.db2.gz MKQSVMZJYBKMOG-WOHXKIKESA-N 0 0 536.606 1.957 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000002350577 552099976 /nfs/dbraw/zinc/09/99/76/552099976.db2.gz MKQSVMZJYBKMOG-LDVBQKTRSA-N 0 0 536.606 1.957 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1OC ZINC000002350737 552099990 /nfs/dbraw/zinc/09/99/90/552099990.db2.gz SCVGHENONNNIEU-WOHXKIKESA-N 0 0 536.606 1.957 50 0 KDAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1OC ZINC000002350740 552099985 /nfs/dbraw/zinc/09/99/85/552099985.db2.gz SCVGHENONNNIEU-LDVBQKTRSA-N 0 0 536.606 1.957 50 0 KDAARN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCNC(=O)[C@H]2CC(=O)OC)SC1=S ZINC000002360772 552102533 /nfs/dbraw/zinc/10/25/33/552102533.db2.gz OTHWZLAQZYDHQZ-KNODJDPOSA-N 0 0 529.644 1.871 50 0 KDAARN COc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002361735 552102725 /nfs/dbraw/zinc/10/27/25/552102725.db2.gz BTMUJFCUNKNLJE-INIZCTEOSA-N 0 0 511.560 1.603 50 0 KDAARN COc1ccccc1OC[C@H](O)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002361736 552102685 /nfs/dbraw/zinc/10/26/85/552102685.db2.gz BTMUJFCUNKNLJE-MRXNPFEDSA-N 0 0 511.560 1.603 50 0 KDAARN COC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccco1 ZINC000002362474 552102640 /nfs/dbraw/zinc/10/26/40/552102640.db2.gz GNLJLESLCWFQBT-FDWYHIAWSA-N 0 0 510.549 1.604 50 0 KDAARN COC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000002362477 552102689 /nfs/dbraw/zinc/10/26/89/552102689.db2.gz GNLJLESLCWFQBT-MTMYEVCSSA-N 0 0 510.549 1.604 50 0 KDAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccc(OC)c(OC)c2)cc1 ZINC000002383397 552107732 /nfs/dbraw/zinc/10/77/32/552107732.db2.gz FMTBZLXEDWDMRL-DEOSSOPVSA-N 0 0 548.474 1.945 50 0 KDAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000002383738 552107779 /nfs/dbraw/zinc/10/77/79/552107779.db2.gz IYGITJWQHYSZEQ-UHFFFAOYSA-N 0 0 574.713 1.295 50 0 KDAARN CC(=O)OC[C@@H]1O[C@H](n2cnc3c2nc(I)nc3Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000002509750 1066432758 /nfs/dbraw/zinc/43/27/58/1066432758.db2.gz BYOJIJDSBSWKKE-OXUWNYNTSA-N 0 0 538.682 1.408 50 0 KDAARN Cc1ccc(C(=O)COC(=O)Cn2c(=O)c3cc4c(cc3c2=O)c(=O)n(CC(=O)OCC(=O)c2ccc(C)cc2)c4=O)cc1 ZINC000002594436 552133980 /nfs/dbraw/zinc/13/39/80/552133980.db2.gz FIDXEAVJAWIHGO-UHFFFAOYSA-N 0 0 596.548 1.381 50 0 KDAARN CCn1c(N2CCN(CC(=O)Nc3c4cc(Br)ccc4[nH]c3C(=O)OC)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002613046 552136502 /nfs/dbraw/zinc/13/65/02/552136502.db2.gz JFDPNTRTVLNNJR-UHFFFAOYSA-N 0 0 587.435 1.234 50 0 KDAARN O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1cccc(I)c1 ZINC000002617053 552137037 /nfs/dbraw/zinc/13/70/37/552137037.db2.gz YOOLNQDBWMJCMB-UHFFFAOYSA-N 0 0 543.343 1.124 50 0 KDAARN COCCN(C(=O)CSc1nncn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002620058 552137876 /nfs/dbraw/zinc/13/78/76/552137876.db2.gz CRLMTXOSSLRQNC-UHFFFAOYSA-N 0 0 507.576 1.520 50 0 KDAARN Cc1cc(=O)oc2cc(OCC(=O)N(CCCO)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ccc12 ZINC000002625642 552138652 /nfs/dbraw/zinc/13/86/52/552138652.db2.gz GUWAICCAWIXCAS-UHFFFAOYSA-N 0 0 506.515 1.376 50 0 KDAARN COCCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002629623 552139554 /nfs/dbraw/zinc/13/95/54/552139554.db2.gz XQKKNOBQVBPNNL-UHFFFAOYSA-N 0 0 551.629 1.743 50 0 KDAARN Cn1c(N)c(C(=O)COC(=O)c2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2)c(=O)n(C)c1=O ZINC000002630464 552139699 /nfs/dbraw/zinc/13/96/99/552139699.db2.gz OGXIIEUQAPFUKL-UHFFFAOYSA-N 0 0 512.478 1.660 50 0 KDAARN COCCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000002631017 552139991 /nfs/dbraw/zinc/13/99/91/552139991.db2.gz YZEOKKUAQRFKRX-UHFFFAOYSA-N 0 0 501.613 1.495 50 0 KDAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000002634205 552140455 /nfs/dbraw/zinc/14/04/55/552140455.db2.gz DSMLIRJUDGMPSU-UHFFFAOYSA-N 0 0 502.505 1.037 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002636766 552141300 /nfs/dbraw/zinc/14/13/00/552141300.db2.gz SBKDZAHXDUAKHF-UHFFFAOYSA-N 0 0 545.595 1.890 50 0 KDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(C)c1=O ZINC000002639586 552142316 /nfs/dbraw/zinc/14/23/16/552142316.db2.gz GJESNCJFCRXCIA-UHFFFAOYSA-N 0 0 528.587 1.650 50 0 KDAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000002641007 552143052 /nfs/dbraw/zinc/14/30/52/552143052.db2.gz MYEUFWONRIYTER-CQSZACIVSA-N 0 0 500.982 1.625 50 0 KDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000002643859 552144113 /nfs/dbraw/zinc/14/41/13/552144113.db2.gz JOVBVGBAUNJEHD-UHFFFAOYSA-N 0 0 520.589 1.976 50 0 KDAARN COC(=O)c1c2c(sc1NC(=O)COn1nnc3ccc(S(=O)(=O)N4CCOCC4)cc31)C[C@@H](C)CC2 ZINC000002644380 552144372 /nfs/dbraw/zinc/14/43/72/552144372.db2.gz PUDJXVPENIPKDY-AWEZNQCLSA-N 0 0 549.631 1.492 50 0 KDAARN COC(=O)c1c2c(sc1NC(=O)COn1nnc3ccc(S(=O)(=O)N4CCOCC4)cc31)C[C@H](C)CC2 ZINC000002644381 552144359 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536.610 1.872 50 0 KDAARN COC[C@H](COCCCNC(=O)NCCCCCCNC(=O)NCCCOC[C@@H](COC)OC)OC ZINC000008767937 553139974 /nfs/dbraw/zinc/13/99/74/553139974.db2.gz CLGSOXUFQBZHFW-FGZHOGPDSA-N 0 0 522.684 1.281 50 0 KDAARN COC[C@@H](COCCCNC(=O)NCCCCCCNC(=O)NCCCOC[C@H](COC)OC)OC ZINC000008767941 553139971 /nfs/dbraw/zinc/13/99/71/553139971.db2.gz CLGSOXUFQBZHFW-VXKWHMMOSA-N 0 0 522.684 1.281 50 0 KDAARN S=C(Sc1nc(SC(=S)N2CCOCC2)nc(SC(=S)N2CCOCC2)n1)N1CCOCC1 ZINC000008767972 553140008 /nfs/dbraw/zinc/14/00/08/553140008.db2.gz JSZPBCPRIUJFFB-UHFFFAOYSA-N 0 0 564.831 1.999 50 0 KDAARN Cc1c(C(=O)/N=c2\sn(-c3ccc(C(N)=O)cc3)nc2C(=O)N2CCOCC2)nnn1-c1ccc(F)cc1 ZINC000008770585 553140980 /nfs/dbraw/zinc/14/09/80/553140980.db2.gz KGYHCRYKFXJGCK-VYIQYICTSA-N 0 0 536.549 1.274 50 0 KDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000008774562 553142072 /nfs/dbraw/zinc/14/20/72/553142072.db2.gz YTSVCILRWRXPNU-NRFANRHFSA-N 0 0 505.549 1.961 50 0 KDAARN 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502.314 1.484 50 0 biogenic KDAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(=O)N3CCOCC3)c2)cc1OC ZINC000008846628 553166344 /nfs/dbraw/zinc/16/63/44/553166344.db2.gz BBZICIBZQDIUOU-UHFFFAOYSA-N 0 0 519.576 1.449 50 0 KDAARN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CSc3nnc4n(N)cnn34)s2)cc1 ZINC000008854435 553166772 /nfs/dbraw/zinc/16/67/72/553166772.db2.gz BAQJYOBUBBYVCL-UHFFFAOYSA-N 0 0 504.583 1.155 50 0 KDAARN CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@H]2S1(=O)=O ZINC000008876192 553175089 /nfs/dbraw/zinc/17/50/89/553175089.db2.gz VTSDQSJBKBMGIY-KSEOMHKRSA-N 0 0 500.621 1.778 50 0 biogenic KDAARN CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000008876369 553175403 /nfs/dbraw/zinc/17/54/03/553175403.db2.gz FLRUXAUWDKIEPL-QLALSQPASA-N 0 0 533.662 2.000 50 0 biogenic KDAARN CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000008876371 553175314 /nfs/dbraw/zinc/17/53/14/553175314.db2.gz FLRUXAUWDKIEPL-LWMXANLMSA-N 0 0 533.662 2.000 50 0 biogenic KDAARN CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@@H]2S1(=O)=O ZINC000008876399 553175339 /nfs/dbraw/zinc/17/53/39/553175339.db2.gz BVLVIFMBEXJMPU-ACIOBRDBSA-N 0 0 508.600 1.646 50 0 biogenic KDAARN CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@H]2S1(=O)=O ZINC000008876402 553175336 /nfs/dbraw/zinc/17/53/36/553175336.db2.gz BVLVIFMBEXJMPU-MDNUFGMLSA-N 0 0 508.600 1.646 50 0 biogenic KDAARN COc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC ZINC000008901471 553182035 /nfs/dbraw/zinc/18/20/35/553182035.db2.gz PLVQOQXUMAOUQQ-AWEZNQCLSA-N 0 0 501.565 1.099 50 0 KDAARN COc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC ZINC000008901479 553182123 /nfs/dbraw/zinc/18/21/23/553182123.db2.gz PLVQOQXUMAOUQQ-CQSZACIVSA-N 0 0 501.565 1.099 50 0 KDAARN Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O ZINC000008901809 553182290 /nfs/dbraw/zinc/18/22/90/553182290.db2.gz QRVNAUVUPBKJGE-UHFFFAOYSA-N 0 0 506.382 1.408 50 0 KDAARN Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O ZINC000008901833 553182313 /nfs/dbraw/zinc/18/23/13/553182313.db2.gz MDAUKDFXVYQRIR-AWEZNQCLSA-N 0 0 520.409 1.844 50 0 KDAARN Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O ZINC000008901837 553182305 /nfs/dbraw/zinc/18/23/05/553182305.db2.gz MDAUKDFXVYQRIR-CQSZACIVSA-N 0 0 520.409 1.844 50 0 KDAARN CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000008902023 553182527 /nfs/dbraw/zinc/18/25/27/553182527.db2.gz RPUXNCBGWBNXED-UHFFFAOYSA-N 0 0 516.555 1.226 50 0 KDAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000008918031 553187334 /nfs/dbraw/zinc/18/73/34/553187334.db2.gz FFYMBAHMSYIJOC-AVRDEDQJSA-N 0 0 506.669 1.651 50 0 biogenic KDAARN COC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)CC1 ZINC000008918057 553187611 /nfs/dbraw/zinc/18/76/11/553187611.db2.gz QEIGNBWTKVBBBG-QFIPXVFZSA-N 0 0 507.653 1.948 50 0 biogenic KDAARN Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O ZINC000008918169 553187834 /nfs/dbraw/zinc/18/78/34/553187834.db2.gz HECFZBDSQFQFCH-PPHZAIPVSA-N 0 0 513.591 1.483 50 0 biogenic KDAARN CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000008918248 553187828 /nfs/dbraw/zinc/18/78/28/553187828.db2.gz SNXKESNSEZNQHH-PPHZAIPVSA-N 0 0 513.591 1.429 50 0 biogenic KDAARN CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000008918289 553187831 /nfs/dbraw/zinc/18/78/31/553187831.db2.gz ACEFRWYFDOKEAJ-PPHZAIPVSA-N 0 0 513.591 1.510 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000008918303 553188031 /nfs/dbraw/zinc/18/80/31/553188031.db2.gz YTUKMTMUFQONEC-JMQGSBJISA-N 0 0 525.602 1.437 50 0 biogenic KDAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000008918362 553188049 /nfs/dbraw/zinc/18/80/49/553188049.db2.gz LCHGMGJQGGYDMD-PPHZAIPVSA-N 0 0 513.591 1.429 50 0 biogenic KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3cccc(OC)c3)sc2=C(C(=O)OC)[C@H]1c1cccc(OC)c1 ZINC000008965009 553194794 /nfs/dbraw/zinc/19/47/94/553194794.db2.gz XSLKIPUMCHKLFF-ACSPXDACSA-N 0 0 522.579 1.567 50 0 KDAARN Cc1ccc(NC(=O)CNC(=O)C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000009013063 553199850 /nfs/dbraw/zinc/19/98/50/553199850.db2.gz WNFGLMOKDSZFJJ-IBGZPJMESA-N 0 0 500.621 1.964 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(OC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 ZINC000009019682 553201180 /nfs/dbraw/zinc/20/11/80/553201180.db2.gz WQQAXTIMFPSTHD-SSUIOBEFSA-N 0 0 522.579 1.567 50 0 KDAARN CCOC(=O)C(C(=O)OCC)[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3C(C(=O)OCC)C(=O)OCC ZINC000009034262 553202053 /nfs/dbraw/zinc/20/20/53/553202053.db2.gz PBYZHCQDCGKBJY-QZTJIDSGSA-N 0 0 506.460 1.594 50 0 KDAARN CCOC(=O)C(C(=O)OCC)[C@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@@H]3C(C(=O)OCC)C(=O)OCC ZINC000009034263 553202089 /nfs/dbraw/zinc/20/20/89/553202089.db2.gz PBYZHCQDCGKBJY-ROUUACIJSA-N 0 0 506.460 1.594 50 0 KDAARN Cn1c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)n(C)c(=O)n5C)C3=O)cc2n(C)c1=O ZINC000009038912 553202077 /nfs/dbraw/zinc/20/20/77/553202077.db2.gz ZUMNFKLQONQOQV-VXLYETTFSA-N 0 0 506.544 1.742 50 0 KDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(OC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 ZINC000009042733 553202637 /nfs/dbraw/zinc/20/26/37/553202637.db2.gz WQQAXTIMFPSTHD-IAERKFLBSA-N 0 0 522.579 1.567 50 0 KDAARN Cn1c2nc(N3CCN(c4ccccn4)CC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000009057743 553204657 /nfs/dbraw/zinc/20/46/57/553204657.db2.gz IHTYKQQHUWPZNJ-UHFFFAOYSA-N 0 0 510.396 1.966 50 0 KDAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC000009061022 553204827 /nfs/dbraw/zinc/20/48/27/553204827.db2.gz KRRQOYCRUUYQSH-HXUWFJFHSA-N 0 0 521.437 1.677 50 0 KDAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC000009061023 553204882 /nfs/dbraw/zinc/20/48/82/553204882.db2.gz KRRQOYCRUUYQSH-FQEVSTJZSA-N 0 0 521.437 1.677 50 0 KDAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3ncccn3)c2c(=O)n(C)c1=O ZINC000009089026 553209102 /nfs/dbraw/zinc/20/91/02/553209102.db2.gz SZEKSGNHWXUZIG-UHFFFAOYSA-N 0 0 513.027 1.996 50 0 KDAARN CCc1nnc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)s1 ZINC000009116677 553211536 /nfs/dbraw/zinc/21/15/36/553211536.db2.gz JHKUBKSIZHVICL-UHFFFAOYSA-N 0 0 504.623 1.790 50 0 KDAARN Cc1nnc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)s1 ZINC000009116723 553211657 /nfs/dbraw/zinc/21/16/57/553211657.db2.gz YIUGBHFIGBNSEK-UHFFFAOYSA-N 0 0 504.623 1.844 50 0 KDAARN CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1nnnn1-c1ccccc1 ZINC000009124018 553212802 /nfs/dbraw/zinc/21/28/02/553212802.db2.gz GUPMXEGPSSHUOO-UHFFFAOYSA-N 0 0 503.592 1.838 50 0 KDAARN CC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21)=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000009128866 553213037 /nfs/dbraw/zinc/21/30/37/553213037.db2.gz PSYNZMOIPUHHQM-QGZVFWFLSA-N 0 0 524.603 1.150 50 0 KDAARN CC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21)=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000009128868 553213090 /nfs/dbraw/zinc/21/30/90/553213090.db2.gz PSYNZMOIPUHHQM-KRWDZBQOSA-N 0 0 524.603 1.150 50 0 KDAARN Cn1c2nc(N3CCc4ccccc4C3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000009129045 553213055 /nfs/dbraw/zinc/21/30/55/553213055.db2.gz SJQSUYRZWNGKTN-UHFFFAOYSA-N 0 0 501.576 1.754 50 0 KDAARN CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCCN2CCCC2=O)c(=O)c2cc3c(cc21)OCO3 ZINC000009134439 553213419 /nfs/dbraw/zinc/21/34/19/553213419.db2.gz SOEMTNJSLQIVMZ-SFHVURJKSA-N 0 0 516.620 1.730 50 0 KDAARN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)CC1 ZINC000009152178 553213992 /nfs/dbraw/zinc/21/39/92/553213992.db2.gz FLIVSROLRYAKBG-KRWDZBQOSA-N 0 0 506.625 1.686 50 0 KDAARN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)CC1 ZINC000009152179 553214006 /nfs/dbraw/zinc/21/40/06/553214006.db2.gz FLIVSROLRYAKBG-QGZVFWFLSA-N 0 0 506.625 1.686 50 0 KDAARN CCN(CC)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCOC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009184736 553216851 /nfs/dbraw/zinc/21/68/51/553216851.db2.gz SUDLLIWVLPUIIB-UHFFFAOYSA-N 0 0 503.556 1.158 50 0 KDAARN CC(=O)N1CCN2c3ccc(NC(=O)Nc4ccccc4)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000009215970 553221549 /nfs/dbraw/zinc/22/15/49/553221549.db2.gz KQRPKCBSIUQEHF-NRFANRHFSA-N 0 0 504.547 1.961 50 0 KDAARN CC(=O)N1CCN2c3ccc(NC(=O)Nc4ccccc4)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000009215972 553221546 /nfs/dbraw/zinc/22/15/46/553221546.db2.gz KQRPKCBSIUQEHF-OAQYLSRUSA-N 0 0 504.547 1.961 50 0 KDAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000009235948 553225609 /nfs/dbraw/zinc/22/56/09/553225609.db2.gz DKAHSMZMPGXEQG-UHFFFAOYSA-N 0 0 501.594 1.830 50 0 KDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009252733 553227757 /nfs/dbraw/zinc/22/77/57/553227757.db2.gz ZNLYMBCKKWUGRJ-CVDCTZTESA-N 0 0 515.632 1.801 50 0 KDAARN CCCn1c2nnc(CCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2c2ccsc2c1=O ZINC000009319178 553241314 /nfs/dbraw/zinc/24/13/14/553241314.db2.gz LFSQRPXJJXGTCJ-UHFFFAOYSA-N 0 0 502.622 1.845 50 0 KDAARN Cn1c2nc(N3CCN(c4ccccn4)CC3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000009327348 553241703 /nfs/dbraw/zinc/24/17/03/553241703.db2.gz PSQPCOMWGOUBQS-UHFFFAOYSA-N 0 0 510.396 1.966 50 0 KDAARN CCC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009348141 553244621 /nfs/dbraw/zinc/24/46/21/553244621.db2.gz RTSMNZWJNKGTGF-GOSISDBHSA-N 0 0 522.562 1.375 50 0 KDAARN CCC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009348143 553244631 /nfs/dbraw/zinc/24/46/31/553244631.db2.gz RTSMNZWJNKGTGF-SFHVURJKSA-N 0 0 522.562 1.375 50 0 KDAARN COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCC1 ZINC000009358182 553247470 /nfs/dbraw/zinc/24/74/70/553247470.db2.gz VGEUTDRVGKPAOX-FNAHDJPLSA-N 0 0 530.659 1.378 50 0 KDAARN COC(=O)[C@H](C)C[C@@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCC1 ZINC000009358186 553247503 /nfs/dbraw/zinc/24/75/03/553247503.db2.gz VGEUTDRVGKPAOX-CIAFKFPVSA-N 0 0 530.659 1.378 50 0 KDAARN COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@H](C)C(=O)OC)CCOCC1 ZINC000009358189 553247585 /nfs/dbraw/zinc/24/75/85/553247585.db2.gz VGEUTDRVGKPAOX-MYGLTJDJSA-N 0 0 530.659 1.378 50 0 KDAARN COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@H](C)C(=O)OC)CCOCC1 ZINC000009358193 553247545 /nfs/dbraw/zinc/24/75/45/553247545.db2.gz VGEUTDRVGKPAOX-ZDNVTZCJSA-N 0 0 530.659 1.378 50 0 KDAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009382002 553252972 /nfs/dbraw/zinc/25/29/72/553252972.db2.gz OTFSTFWOUXVLLF-UHFFFAOYSA-N 0 0 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507.572 1.469 50 0 KDAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000009611630 553289401 /nfs/dbraw/zinc/28/94/01/553289401.db2.gz MNVVKHLOFVTLCY-FQEVSTJZSA-N 0 0 507.572 1.469 50 0 KDAARN Cc1ccnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000009611631 553289396 /nfs/dbraw/zinc/28/93/96/553289396.db2.gz GGJMJMJSEIMVED-HXUWFJFHSA-N 0 0 507.572 1.469 50 0 KDAARN Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000009611632 553289398 /nfs/dbraw/zinc/28/93/98/553289398.db2.gz GGJMJMJSEIMVED-FQEVSTJZSA-N 0 0 507.572 1.469 50 0 KDAARN CCN(CC)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000009611648 553289422 /nfs/dbraw/zinc/28/94/22/553289422.db2.gz DHFFXTLFKGJYHM-UHFFFAOYSA-N 0 0 501.609 1.651 50 0 KDAARN CCN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(C)c1 ZINC000009611650 553289404 /nfs/dbraw/zinc/28/94/04/553289404.db2.gz QAURXWPSQHSQDM-UHFFFAOYSA-N 0 0 515.636 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COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000009617306 553291471 /nfs/dbraw/zinc/29/14/71/553291471.db2.gz VCHCZJBBNQQQNC-UHFFFAOYSA-N 0 0 504.543 1.887 50 0 KDAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)n3nc(N)cc3C)c2=O)cc1 ZINC000009617311 553291494 /nfs/dbraw/zinc/29/14/94/553291494.db2.gz KDJBNBGTVNNTQT-UHFFFAOYSA-N 0 0 504.547 1.405 50 0 KDAARN COc1ccc(CCNC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(C[C@@H]3CCCO3)c2=O)cc1OC ZINC000009617475 553291729 /nfs/dbraw/zinc/29/17/29/553291729.db2.gz DYOWMTQIXRNFKI-SFHVURJKSA-N 0 0 527.574 1.736 50 0 KDAARN COc1ccc(CCNC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(C[C@H]3CCCO3)c2=O)cc1OC ZINC000009617479 553291717 /nfs/dbraw/zinc/29/17/17/553291717.db2.gz DYOWMTQIXRNFKI-GOSISDBHSA-N 0 0 527.574 1.736 50 0 KDAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000009617683 553291829 /nfs/dbraw/zinc/29/18/29/553291829.db2.gz VNOKZKQHGZKUMS-UHFFFAOYSA-N 0 0 504.499 1.888 50 0 KDAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009636323 553292152 /nfs/dbraw/zinc/29/21/52/553292152.db2.gz DVKYOYXYYFZGKL-QFIPXVFZSA-N 0 0 522.583 1.774 50 0 KDAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009636324 553292133 /nfs/dbraw/zinc/29/21/33/553292133.db2.gz DVKYOYXYYFZGKL-JOCHJYFZSA-N 0 0 522.583 1.774 50 0 KDAARN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000009636325 553292150 /nfs/dbraw/zinc/29/21/50/553292150.db2.gz SIWQNWJVYIGTNC-QHCPKHFHSA-N 0 0 520.611 1.785 50 0 KDAARN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000009636326 553292092 /nfs/dbraw/zinc/29/20/92/553292092.db2.gz SIWQNWJVYIGTNC-HSZRJFAPSA-N 0 0 520.611 1.785 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NC3CCCCCC3)cc2c(=O)n(C)c1=O ZINC000009636327 553292122 /nfs/dbraw/zinc/29/21/22/553292122.db2.gz RUHHXTOQHXPMRY-QFIPXVFZSA-N 0 0 512.632 1.966 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NC3CCCCCC3)cc2c(=O)n(C)c1=O ZINC000009636328 553292140 /nfs/dbraw/zinc/29/21/40/553292140.db2.gz RUHHXTOQHXPMRY-JOCHJYFZSA-N 0 0 512.632 1.966 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cccc(F)c3)cc2c(=O)n(C)c1=O ZINC000009636333 553292148 /nfs/dbraw/zinc/29/21/48/553292148.db2.gz BHAHRKDFRHSIFX-NRFANRHFSA-N 0 0 510.547 1.905 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3cccc(F)c3)cc2c(=O)n(C)c1=O ZINC000009636334 553292106 /nfs/dbraw/zinc/29/21/06/553292106.db2.gz BHAHRKDFRHSIFX-OAQYLSRUSA-N 0 0 510.547 1.905 50 0 KDAARN Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009636339 553292145 /nfs/dbraw/zinc/29/21/45/553292145.db2.gz MBCWEUNDESFLOZ-HSZRJFAPSA-N 0 0 520.611 1.752 50 0 KDAARN Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009636340 553292149 /nfs/dbraw/zinc/29/21/49/553292149.db2.gz MBCWEUNDESFLOZ-QHCPKHFHSA-N 0 0 520.611 1.752 50 0 KDAARN CN(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1 ZINC000009636353 553292129 /nfs/dbraw/zinc/29/21/29/553292129.db2.gz DBCKPPOACUDTBH-QFIPXVFZSA-N 0 0 512.632 1.918 50 0 KDAARN CN(C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1 ZINC000009636354 553292116 /nfs/dbraw/zinc/29/21/16/553292116.db2.gz DBCKPPOACUDTBH-JOCHJYFZSA-N 0 0 512.632 1.918 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636361 553292098 /nfs/dbraw/zinc/29/20/98/553292098.db2.gz JEBNNLVAAHETEM-QHCPKHFHSA-N 0 0 520.611 1.486 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636362 553292120 /nfs/dbraw/zinc/29/21/20/553292120.db2.gz JEBNNLVAAHETEM-HSZRJFAPSA-N 0 0 520.611 1.486 50 0 KDAARN CC1CCC(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000009636371 553292348 /nfs/dbraw/zinc/29/23/48/553292348.db2.gz SSVNCOROLVPGMB-RKOYOZNISA-N 0 0 512.632 1.822 50 0 KDAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000009636372 553292285 /nfs/dbraw/zinc/29/22/85/553292285.db2.gz ONBFCCXSMJNMCG-VOQZNFBZSA-N 0 0 512.632 1.822 50 0 KDAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000009636374 553292339 /nfs/dbraw/zinc/29/23/39/553292339.db2.gz ONBFCCXSMJNMCG-ZPMCFJSWSA-N 0 0 512.632 1.822 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3cccs3)cc2c(=O)n(C)c1=O ZINC000009636376 553292289 /nfs/dbraw/zinc/29/22/89/553292289.db2.gz SPPOSVOPLMOFPB-FQEVSTJZSA-N 0 0 512.613 1.505 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cccs3)cc2c(=O)n(C)c1=O ZINC000009636377 553292302 /nfs/dbraw/zinc/29/23/02/553292302.db2.gz SPPOSVOPLMOFPB-HXUWFJFHSA-N 0 0 512.613 1.505 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636380 553292295 /nfs/dbraw/zinc/29/22/95/553292295.db2.gz NPWYXJMEMJTFBB-QFIPXVFZSA-N 0 0 506.584 1.443 50 0 KDAARN Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636381 553292327 /nfs/dbraw/zinc/29/23/27/553292327.db2.gz NPWYXJMEMJTFBB-JOCHJYFZSA-N 0 0 506.584 1.443 50 0 KDAARN COc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000009636390 553292282 /nfs/dbraw/zinc/29/22/82/553292282.db2.gz ALEZJGZVUDAPCN-QFIPXVFZSA-N 0 0 508.556 1.904 50 0 KDAARN COc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000009636391 553292278 /nfs/dbraw/zinc/29/22/78/553292278.db2.gz ALEZJGZVUDAPCN-JOCHJYFZSA-N 0 0 508.556 1.904 50 0 KDAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000009636394 553292276 /nfs/dbraw/zinc/29/22/76/553292276.db2.gz AWMJRWFHJVTZBW-QFIPXVFZSA-N 0 0 508.556 1.904 50 0 KDAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000009636395 553292345 /nfs/dbraw/zinc/29/23/45/553292345.db2.gz AWMJRWFHJVTZBW-JOCHJYFZSA-N 0 0 508.556 1.904 50 0 KDAARN 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biogenic KDAARN CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011866986 553347099 /nfs/dbraw/zinc/34/70/99/553347099.db2.gz SNXKESNSEZNQHH-UZTOHYMASA-N 0 0 513.591 1.429 50 0 biogenic KDAARN CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866997 553347139 /nfs/dbraw/zinc/34/71/39/553347139.db2.gz ACEFRWYFDOKEAJ-WINIVTDRSA-N 0 0 513.591 1.510 50 0 biogenic KDAARN CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011866998 553347172 /nfs/dbraw/zinc/34/71/72/553347172.db2.gz ACEFRWYFDOKEAJ-UZTOHYMASA-N 0 0 513.591 1.510 50 0 biogenic KDAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)c2C(N)=O)C1 ZINC000011883249 553348515 /nfs/dbraw/zinc/34/85/15/553348515.db2.gz JEVCEFISFDEHKQ-INIZCTEOSA-N 0 0 520.633 1.803 50 0 KDAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)c2C(N)=O)C1 ZINC000011883250 553348513 /nfs/dbraw/zinc/34/85/13/553348513.db2.gz JEVCEFISFDEHKQ-MRXNPFEDSA-N 0 0 520.633 1.803 50 0 KDAARN Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000012006458 553349930 /nfs/dbraw/zinc/34/99/30/553349930.db2.gz QOVFISWNJGUNSW-UHFFFAOYSA-N 0 0 510.532 1.797 50 0 KDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc(Cl)c2)c3=O)cc1 ZINC000012071477 553350833 /nfs/dbraw/zinc/35/08/33/553350833.db2.gz PKQYSBYRHPNOAV-UHFFFAOYSA-N 0 0 514.995 1.975 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000012080667 553351040 /nfs/dbraw/zinc/35/10/40/553351040.db2.gz SXEKETCPKOEHAN-QFIPXVFZSA-N 0 0 516.576 1.007 50 0 KDAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000012080682 553351136 /nfs/dbraw/zinc/35/11/36/553351136.db2.gz ILMQYQKNUDPUEE-FQEVSTJZSA-N 0 0 511.984 1.179 50 0 KDAARN COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000012080683 553351175 /nfs/dbraw/zinc/35/11/75/553351175.db2.gz ILMQYQKNUDPUEE-HXUWFJFHSA-N 0 0 511.984 1.179 50 0 KDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012080802 553351258 /nfs/dbraw/zinc/35/12/58/553351258.db2.gz IYMMXQLFAIHWLH-KRWDZBQOSA-N 0 0 516.801 1.882 50 0 KDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012080803 553351233 /nfs/dbraw/zinc/35/12/33/553351233.db2.gz IYMMXQLFAIHWLH-QGZVFWFLSA-N 0 0 516.801 1.882 50 0 KDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCc1c[nH]c2ccccc12 ZINC000012139790 553352050 /nfs/dbraw/zinc/35/20/50/553352050.db2.gz NIFVHLHVCIZRTF-UHFFFAOYSA-N 0 0 514.629 1.986 50 0 KDAARN COc1cc(/C=C\C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC ZINC000012163142 553353237 /nfs/dbraw/zinc/35/32/37/553353237.db2.gz JZDMSTPIYIFOOK-HJWRWDBZSA-N 0 0 504.609 1.779 50 0 KDAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(Cc3ccc(F)c(F)c3)C2)c1C(=O)OC ZINC000012203759 553354112 /nfs/dbraw/zinc/35/41/12/553354112.db2.gz FFFWEHUOYMPCAY-KSSFIOAISA-N 0 0 503.462 1.855 50 0 KDAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(CCOc2cccc(CN3CCOCC3)c2)CC1 ZINC000012211517 1066353463 /nfs/dbraw/zinc/35/34/63/1066353463.db2.gz RIAKPTZJDNMGDV-UHFFFAOYSA-N 0 0 509.650 1.752 50 0 KDAARN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])CC1 ZINC000012296223 553356973 /nfs/dbraw/zinc/35/69/73/553356973.db2.gz KFDGYYKEYONTAZ-NHCUHLMSSA-N 0 0 532.642 1.399 50 0 biogenic KDAARN CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000012311747 553357716 /nfs/dbraw/zinc/35/77/16/553357716.db2.gz JSTFRRPKUUICDT-UHFFFAOYSA-N 0 0 524.530 1.288 50 0 KDAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000012311822 561710103 /nfs/dbraw/zinc/71/01/03/561710103.db2.gz ASPBBCLDLVSPDM-UNOMPAQXSA-N 0 0 520.564 1.708 50 0 KDAARN CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(C[C@@H]2CCCO2)CCS3(=O)=O)CC1 ZINC000012321903 553358296 /nfs/dbraw/zinc/35/82/96/553358296.db2.gz UULPDBZRAKCXMF-ZDUSSCGKSA-N 0 0 505.515 1.791 50 0 KDAARN CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(C[C@H]2CCCO2)CCS3(=O)=O)CC1 ZINC000012321904 553358265 /nfs/dbraw/zinc/35/82/65/553358265.db2.gz UULPDBZRAKCXMF-CYBMUJFWSA-N 0 0 505.515 1.791 50 0 KDAARN Cc1cc(N2C(=O)C[C@@H](N3CCC(C4CCN([C@H]5CC(=O)N(c6cc(C)on6)C5=O)CC4)CC3)C2=O)no1 ZINC000012363521 553359458 /nfs/dbraw/zinc/35/94/58/553359458.db2.gz OCLAZKRVHDCWIQ-BGYRXZFFSA-N 0 0 524.578 1.667 50 0 KDAARN CC(=O)NCCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OCCNC(C)=O ZINC000012364276 553359628 /nfs/dbraw/zinc/35/96/28/553359628.db2.gz HVYKMIIVTLJCGR-UHFFFAOYSA-N 0 0 518.592 1.644 50 0 KDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3cccc(-c4nnco4)c3)CC2)cc1 ZINC000012364387 553359614 /nfs/dbraw/zinc/35/96/14/553359614.db2.gz XNDSKDLPJWHIKL-FQEVSTJZSA-N 0 0 501.565 1.441 50 0 KDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc(-c4nnco4)c3)CC2)cc1 ZINC000012364389 553359633 /nfs/dbraw/zinc/35/96/33/553359633.db2.gz XNDSKDLPJWHIKL-HXUWFJFHSA-N 0 0 501.565 1.441 50 0 KDAARN CCOC(=O)[C@@H]1C(c2ccccc2)[C@@H](C(=O)OCC)S(=O)(=O)C(CCN(CC)CC)S1(=O)=O ZINC000012366798 553359724 /nfs/dbraw/zinc/35/97/24/553359724.db2.gz SMRFNRKONBWLTL-GUMHCPJTSA-N 0 0 503.639 1.535 50 0 KDAARN CC(C)OCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000012382725 553362227 /nfs/dbraw/zinc/36/22/27/553362227.db2.gz YDLXRIRYJGPRTF-QFIPXVFZSA-N 0 0 509.650 1.682 50 0 KDAARN CCOC(=O)c1ccc(CNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)o1 ZINC000012411126 553363352 /nfs/dbraw/zinc/36/33/52/553363352.db2.gz MMXHJVBCTFJKFG-UHFFFAOYSA-N 0 0 525.587 1.969 50 0 KDAARN CCOC(=O)C1=C(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012412403 553363906 /nfs/dbraw/zinc/36/39/06/553363906.db2.gz NWVOYPJSAWIYEE-MRXNPFEDSA-N 0 0 516.942 1.309 50 0 KDAARN CCOC(=O)C1=C(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012412405 553363895 /nfs/dbraw/zinc/36/38/95/553363895.db2.gz NWVOYPJSAWIYEE-INIZCTEOSA-N 0 0 516.942 1.309 50 0 KDAARN CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc2c(cc1Br)OCO2 ZINC000012413411 553364496 /nfs/dbraw/zinc/36/44/96/553364496.db2.gz QDMVYAQSVSSBMW-UHFFFAOYSA-N 0 0 511.354 1.628 50 0 KDAARN COC[C@H](COCCCNC(=O)NCCCCCCNC(=O)NCCCOC[C@H](COC)OC)OC ZINC000012417907 553365484 /nfs/dbraw/zinc/36/54/84/553365484.db2.gz CLGSOXUFQBZHFW-SZPZYZBQSA-N 0 0 522.684 1.281 50 0 KDAARN COc1cc(C(=O)NCCNC(=O)c2nc(Cn3cc(Br)cn3)no2)cc(OC)c1OC ZINC000012418547 553365403 /nfs/dbraw/zinc/36/54/03/553365403.db2.gz JEDJVFPWQHUISM-UHFFFAOYSA-N 0 0 509.317 1.263 50 0 KDAARN CN(C)c1nc(N)nc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)n1 ZINC000012427899 553366101 /nfs/dbraw/zinc/36/61/01/553366101.db2.gz KMKCADSNXHQOCN-UHFFFAOYSA-N 0 0 521.529 1.626 50 0 KDAARN Cn1c2nc(SCc3nc(N)nc(N4CCCCC4)n3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000012427902 553366070 /nfs/dbraw/zinc/36/60/70/553366070.db2.gz DUFOHDUIIOURJT-UHFFFAOYSA-N 0 0 511.587 1.671 50 0 KDAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000012427983 553366063 /nfs/dbraw/zinc/36/60/63/553366063.db2.gz MXNNJPAWNWFNJN-PDGQHHTCSA-N 0 0 516.539 1.542 50 0 biogenic KDAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(Cn2cc(I)cn2)no1 ZINC000012429212 553366196 /nfs/dbraw/zinc/36/61/96/553366196.db2.gz LLCWJQOHURHPAH-UHFFFAOYSA-N 0 0 508.320 1.681 50 0 KDAARN Cc1cc(C)n2nc(SCC(=O)OCCN(C)C(=O)CSc3nc4nc(C)cc(C)n4n3)nc2n1 ZINC000012446131 553366604 /nfs/dbraw/zinc/36/66/04/553366604.db2.gz AUAFXHOOBNMPQG-UHFFFAOYSA-N 0 0 515.625 1.682 50 0 KDAARN Cc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000012462404 553367325 /nfs/dbraw/zinc/36/73/25/553367325.db2.gz HPLDDCNXMMPUNQ-UHFFFAOYSA-N 0 0 512.983 1.681 50 0 KDAARN O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012484390 553377287 /nfs/dbraw/zinc/37/72/87/553377287.db2.gz WXPNVLFBAQSQFD-FQEVSTJZSA-N 0 0 504.996 1.726 50 0 KDAARN O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012484399 553377207 /nfs/dbraw/zinc/37/72/07/553377207.db2.gz WXPNVLFBAQSQFD-HXUWFJFHSA-N 0 0 504.996 1.726 50 0 KDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000012498882 553382206 /nfs/dbraw/zinc/38/22/06/553382206.db2.gz HDRTZVWPJULCJC-UHFFFAOYSA-N 0 0 515.585 1.902 50 0 KDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1 ZINC000012520866 553382526 /nfs/dbraw/zinc/38/25/26/553382526.db2.gz UERNIIUTVIWLJJ-UHFFFAOYSA-N 0 0 515.573 1.277 50 0 KDAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1 ZINC000012521085 553382530 /nfs/dbraw/zinc/38/25/30/553382530.db2.gz JHTZWSJRHVXPBF-UHFFFAOYSA-N 0 0 501.546 1.234 50 0 KDAARN O=C(Cn1nnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000012523005 553382929 /nfs/dbraw/zinc/38/29/29/553382929.db2.gz CRUDWGDTAOMBMS-UHFFFAOYSA-N 0 0 512.592 1.441 50 0 KDAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)nc1N ZINC000012524915 553383926 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O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000012632772 553405918 /nfs/dbraw/zinc/40/59/18/553405918.db2.gz DPEKLBGOWAPQAW-HXUWFJFHSA-N 0 0 518.101 1.995 50 0 KDAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000012632775 553405934 /nfs/dbraw/zinc/40/59/34/553405934.db2.gz DPEKLBGOWAPQAW-FQEVSTJZSA-N 0 0 518.101 1.995 50 0 KDAARN NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000012634629 553406308 /nfs/dbraw/zinc/40/63/08/553406308.db2.gz GJYLNMWIXOYGOV-IBGZPJMESA-N 0 0 524.983 1.642 50 0 KDAARN NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000012634631 553406326 /nfs/dbraw/zinc/40/63/26/553406326.db2.gz GJYLNMWIXOYGOV-LJQANCHMSA-N 0 0 524.983 1.642 50 0 KDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000012635508 553406746 /nfs/dbraw/zinc/40/67/46/553406746.db2.gz XDLBJASEJMQFEE-UHFFFAOYSA-N 0 0 509.484 1.203 50 0 KDAARN COCCCN(C(=O)COc1ccc2ccc(=O)oc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012638885 553407933 /nfs/dbraw/zinc/40/79/33/553407933.db2.gz OOGIRVHZACTXFE-UHFFFAOYSA-N 0 0 506.515 1.722 50 0 KDAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000012644869 553408973 /nfs/dbraw/zinc/40/89/73/553408973.db2.gz NOFVGPKNWJDUJP-DEOSSOPVSA-N 0 0 510.528 1.436 50 0 KDAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000012644875 553408989 /nfs/dbraw/zinc/40/89/89/553408989.db2.gz NOFVGPKNWJDUJP-XMMPIXPASA-N 0 0 510.528 1.436 50 0 KDAARN C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCN(c5ncccn5)CC4)cn1c32 ZINC000012645293 553408969 /nfs/dbraw/zinc/40/89/69/553408969.db2.gz IILCRAWPMIRKJT-QGZVFWFLSA-N 0 0 507.570 1.598 50 0 KDAARN C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCN(c5ncccn5)CC4)cn1c32 ZINC000012645296 553408993 /nfs/dbraw/zinc/40/89/93/553408993.db2.gz IILCRAWPMIRKJT-KRWDZBQOSA-N 0 0 507.570 1.598 50 0 KDAARN COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 ZINC000012645391 553408947 /nfs/dbraw/zinc/40/89/47/553408947.db2.gz MVZGRITYSXRFQV-UHFFFAOYSA-N 0 0 506.309 1.800 50 0 KDAARN CC1(C)O[C@@H]2[C@@H](COC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1 ZINC000012653876 553410182 /nfs/dbraw/zinc/41/01/82/553410182.db2.gz NCRHFKAHKVXKCU-MIGBRYPXSA-N 0 0 515.519 1.299 50 0 biogenic KDAARN CC(=O)N[C@H]1[C@H](OCc2cccc(Br)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000012654187 553410382 /nfs/dbraw/zinc/41/03/82/553410382.db2.gz BAWKASVQYQUJCP-PFAUGDHASA-N 0 0 516.341 1.622 50 0 biogenic KDAARN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)NCC(N)=O ZINC000012654965 553410388 /nfs/dbraw/zinc/41/03/88/553410388.db2.gz JRINQYCLNNIOOQ-YADHBBJMSA-N 0 0 529.638 1.159 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000012655863 553410682 /nfs/dbraw/zinc/41/06/82/553410682.db2.gz YFJHYTOASNBTBZ-OUUBHVDSSA-N 0 0 503.298 1.911 50 0 biogenic KDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1CCN(c2ccccc2O)CC1 ZINC000012656782 553410623 /nfs/dbraw/zinc/41/06/23/553410623.db2.gz UBBQSMHSIZAALC-UHFFFAOYSA-N 0 0 504.634 1.558 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 ZINC000012657945 553411008 /nfs/dbraw/zinc/41/10/08/553411008.db2.gz PULHFQJEIICAIA-UHFFFAOYSA-N 0 0 502.501 1.618 50 0 KDAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012689687 553412977 /nfs/dbraw/zinc/41/29/77/553412977.db2.gz UGSOFXIRLJFYAN-UHFFFAOYSA-N 0 0 518.621 1.409 50 0 KDAARN O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000012694019 553413127 /nfs/dbraw/zinc/41/31/27/553413127.db2.gz AHLRXNTXZQBWTL-UHFFFAOYSA-N 0 0 523.995 1.993 50 0 KDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c1 ZINC000012694503 553413177 /nfs/dbraw/zinc/41/31/77/553413177.db2.gz LUDVIRXZNWNTOB-UHFFFAOYSA-N 0 0 509.606 1.390 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1OC ZINC000012694948 553413105 /nfs/dbraw/zinc/41/31/05/553413105.db2.gz AYAIAQIWLYJUBI-UHFFFAOYSA-N 0 0 509.606 1.390 50 0 KDAARN O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012699805 553413341 /nfs/dbraw/zinc/41/33/41/553413341.db2.gz FXQJXNGCHSYSLX-UHFFFAOYSA-N 0 0 503.599 1.055 50 0 KDAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012755421 553420583 /nfs/dbraw/zinc/42/05/83/553420583.db2.gz ZFZKUAHTTHJOTL-LJQANCHMSA-N 0 0 507.521 1.533 50 0 KDAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012755428 553420495 /nfs/dbraw/zinc/42/04/95/553420495.db2.gz ZFZKUAHTTHJOTL-IBGZPJMESA-N 0 0 507.521 1.533 50 0 KDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012769989 553420791 /nfs/dbraw/zinc/42/07/91/553420791.db2.gz CTSRTPPNWRPAQB-OAQYLSRUSA-N 0 0 501.492 1.750 50 0 KDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012769994 553420777 /nfs/dbraw/zinc/42/07/77/553420777.db2.gz CTSRTPPNWRPAQB-NRFANRHFSA-N 0 0 501.492 1.750 50 0 KDAARN CCOC(=O)C1=C(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012792710 553420809 /nfs/dbraw/zinc/42/08/09/553420809.db2.gz NKJPXADIZBFWGU-LJQANCHMSA-N 0 0 500.439 1.958 50 0 KDAARN CCOC(=O)C1=C(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012792714 553420788 /nfs/dbraw/zinc/42/07/88/553420788.db2.gz NKJPXADIZBFWGU-IBGZPJMESA-N 0 0 500.439 1.958 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000012793467 553420783 /nfs/dbraw/zinc/42/07/83/553420783.db2.gz DPOGLKDZIVDKIR-UHFFFAOYSA-N 0 0 510.638 1.772 50 0 KDAARN CCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012799837 553420936 /nfs/dbraw/zinc/42/09/36/553420936.db2.gz UUNQPWJOTFYORQ-UHFFFAOYSA-N 0 0 517.633 1.682 50 0 KDAARN COCCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012848764 553421933 /nfs/dbraw/zinc/42/19/33/553421933.db2.gz GFLOCSRUHVHWGU-UHFFFAOYSA-N 0 0 503.515 1.552 50 0 KDAARN COc1ccccc1CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012848782 553421884 /nfs/dbraw/zinc/42/18/84/553421884.db2.gz MFYPZLLNFVTZPA-UHFFFAOYSA-N 0 0 504.561 1.727 50 0 KDAARN COCCN(C(=O)COC(=O)C=Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012849563 553421931 /nfs/dbraw/zinc/42/19/31/553421931.db2.gz MKLVHKDKNWZVQS-CSKARUKUSA-N 0 0 522.514 1.132 50 0 KDAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)[nH]c1=O ZINC000012850231 553421872 /nfs/dbraw/zinc/42/18/72/553421872.db2.gz ROGBDRUAKLIZKU-UHFFFAOYSA-N 0 0 512.567 1.325 50 0 KDAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012850295 553421942 /nfs/dbraw/zinc/42/19/42/553421942.db2.gz UJHQGGXFILRJPI-UHFFFAOYSA-N 0 0 508.618 1.544 50 0 KDAARN CCn1c(SCC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nnc1-c1ccncc1 ZINC000012850520 553421890 /nfs/dbraw/zinc/42/18/90/553421890.db2.gz ODIZJPDFVOFKSA-UHFFFAOYSA-N 0 0 502.601 1.220 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccncc3)n2CC)c(=O)[nH]c1=O ZINC000012850526 553421880 /nfs/dbraw/zinc/42/18/80/553421880.db2.gz CKSXUSJNHSYRHG-UHFFFAOYSA-N 0 0 502.601 1.364 50 0 KDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012851070 553422033 /nfs/dbraw/zinc/42/20/33/553422033.db2.gz AXSDKFRSKVJIQA-UHFFFAOYSA-N 0 0 525.605 1.062 50 0 KDAARN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 ZINC000012855115 553422315 /nfs/dbraw/zinc/42/23/15/553422315.db2.gz TWVREKSGKQQWTO-QFIPXVFZSA-N 0 0 521.599 1.712 50 0 KDAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 ZINC000012855120 553422301 /nfs/dbraw/zinc/42/23/01/553422301.db2.gz TWVREKSGKQQWTO-JOCHJYFZSA-N 0 0 521.599 1.712 50 0 KDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 ZINC000012861575 553422944 /nfs/dbraw/zinc/42/29/44/553422944.db2.gz PPTMRVLMFQZWTH-UHFFFAOYSA-N 0 0 552.679 1.959 50 0 KDAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000012863076 553423130 /nfs/dbraw/zinc/42/31/30/553423130.db2.gz FFYMBAHMSYIJOC-GCJKJVERSA-N 0 0 506.669 1.651 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000012864294 553423332 /nfs/dbraw/zinc/42/33/32/553423332.db2.gz TXIKBQYWWSLPJI-JMQGSBJISA-N 0 0 525.602 1.355 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c(C)c(C)c(=O)oc2c1 ZINC000012864601 553423297 /nfs/dbraw/zinc/42/32/97/553423297.db2.gz KXINCAOQEWAXDE-PPHZAIPVSA-N 0 0 513.591 1.483 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000012864973 553423277 /nfs/dbraw/zinc/42/32/77/553423277.db2.gz NDZHVBKIFZZSOO-SOKVYYICSA-N 0 0 511.575 1.047 50 0 biogenic KDAARN COCCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012866964 553423624 /nfs/dbraw/zinc/42/36/24/553423624.db2.gz YKXNNJDALLDFES-UHFFFAOYSA-N 0 0 523.019 1.172 50 0 KDAARN COCCN(C(=O)COC(=O)CCCOc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012867000 553423658 /nfs/dbraw/zinc/42/36/58/553423658.db2.gz HFCFOGMNPIQXOA-UHFFFAOYSA-N 0 0 510.547 1.549 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012870720 553424016 /nfs/dbraw/zinc/42/40/16/553424016.db2.gz RTAOKZRPPKHAFZ-FMIVXFBMSA-N 0 0 503.577 1.851 50 0 KDAARN COCCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012872792 553424199 /nfs/dbraw/zinc/42/41/99/553424199.db2.gz VCBFJNRSNQVQSW-UHFFFAOYSA-N 0 0 514.560 1.414 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012877318 553424896 /nfs/dbraw/zinc/42/48/96/553424896.db2.gz HYHDVVQJHHPNMM-INIZCTEOSA-N 0 0 517.560 1.479 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012877328 553425080 /nfs/dbraw/zinc/42/50/80/553425080.db2.gz HYHDVVQJHHPNMM-MRXNPFEDSA-N 0 0 517.560 1.479 50 0 KDAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000012880249 553425259 /nfs/dbraw/zinc/42/52/59/553425259.db2.gz YXVRQRMCDKEEOU-DEOSSOPVSA-N 0 0 516.576 1.512 50 0 KDAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000012880256 553425282 /nfs/dbraw/zinc/42/52/82/553425282.db2.gz YXVRQRMCDKEEOU-XMMPIXPASA-N 0 0 516.576 1.512 50 0 KDAARN COCCN(C(=O)COC(=O)c1cc2c(s1)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012881406 553425416 /nfs/dbraw/zinc/42/54/16/553425416.db2.gz DJPIWGGFHDXOPB-UHFFFAOYSA-N 0 0 512.588 1.944 50 0 KDAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012884400 553426017 /nfs/dbraw/zinc/42/60/17/553426017.db2.gz RDQPWZNVBUFJJP-UHFFFAOYSA-N 0 0 500.533 1.896 50 0 KDAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000012885347 553426141 /nfs/dbraw/zinc/42/61/41/553426141.db2.gz MFPSOSWVFWAZKP-UHFFFAOYSA-N 0 0 511.578 1.960 50 0 KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1OC ZINC000012885677 553426153 /nfs/dbraw/zinc/42/61/53/553426153.db2.gz CRPZVVUZNMTOHE-XECMSXCGSA-N 0 0 507.543 1.840 50 0 biogenic KDAARN CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O ZINC000012888651 553426490 /nfs/dbraw/zinc/42/64/90/553426490.db2.gz VTSDQSJBKBMGIY-ILWGZMRPSA-N 0 0 500.621 1.778 50 0 biogenic KDAARN CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000012889279 553426523 /nfs/dbraw/zinc/42/65/23/553426523.db2.gz FLRUXAUWDKIEPL-LCWLCAASSA-N 0 0 533.662 2.000 50 0 biogenic KDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000012890281 553426516 /nfs/dbraw/zinc/42/65/16/553426516.db2.gz HGBBQKDZHRUPCZ-VWLOTQADSA-N 0 0 512.588 1.498 50 0 KDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000012890289 553426600 /nfs/dbraw/zinc/42/66/00/553426600.db2.gz HGBBQKDZHRUPCZ-RUZDIDTESA-N 0 0 512.588 1.498 50 0 KDAARN CCCCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012891545 553426603 /nfs/dbraw/zinc/42/66/03/553426603.db2.gz VZCLGOMBIARBLX-UHFFFAOYSA-N 0 0 521.640 1.695 50 0 KDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(=O)[nH]c1=O ZINC000012895010 553426587 /nfs/dbraw/zinc/42/65/87/553426587.db2.gz RPWBDWMUGKEDJI-UHFFFAOYSA-N 0 0 525.603 1.382 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000012900194 553426761 /nfs/dbraw/zinc/42/67/61/553426761.db2.gz FLQDZHLQGDTWHJ-UHFFFAOYSA-N 0 0 510.975 1.953 50 0 KDAARN CC(C)CN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012903959 553426820 /nfs/dbraw/zinc/42/68/20/553426820.db2.gz BQADINOIEXZRRO-UHFFFAOYSA-N 0 0 527.669 1.089 50 0 KDAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012907228 553426867 /nfs/dbraw/zinc/42/68/67/553426867.db2.gz HTWQAXBBMBLGOV-UHFFFAOYSA-N 0 0 518.661 1.108 50 0 KDAARN COCCN(C(=O)COC(=O)CCc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012908403 553427097 /nfs/dbraw/zinc/42/70/97/553427097.db2.gz JGTLOLBEHUDQJN-UHFFFAOYSA-N 0 0 510.547 1.331 50 0 KDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)CSCC(=O)Nc2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000012908430 553427081 /nfs/dbraw/zinc/42/70/81/553427081.db2.gz PKTLRZMXSNVZLQ-UHFFFAOYSA-N 0 0 527.603 1.679 50 0 KDAARN COCCN(C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012908434 553427056 /nfs/dbraw/zinc/42/70/56/553427056.db2.gz OJWXWOMHHYDEEL-UHFFFAOYSA-N 0 0 510.591 1.906 50 0 KDAARN CCOc1ccc(CCNC(=O)COC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC ZINC000012911352 553427075 /nfs/dbraw/zinc/42/70/75/553427075.db2.gz UCQLCUQVLJYCPM-UHFFFAOYSA-N 0 0 521.592 1.623 50 0 KDAARN COCCN(C(=O)COC(=O)Cc1coc2cc(C)ccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012914617 553427099 /nfs/dbraw/zinc/42/70/99/553427099.db2.gz HQSOWAYZSVAADF-UHFFFAOYSA-N 0 0 520.542 1.987 50 0 KDAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012914627 553427083 /nfs/dbraw/zinc/42/70/83/553427083.db2.gz PPBDERFWUUTHNK-UHFFFAOYSA-N 0 0 508.622 1.757 50 0 KDAARN COc1ccccc1CCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCc1ccccc1OC ZINC000012919339 553427298 /nfs/dbraw/zinc/42/72/98/553427298.db2.gz NTKBZJSNBNQPDQ-UHFFFAOYSA-N 0 0 500.548 1.588 50 0 KDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 ZINC000012921495 553427360 /nfs/dbraw/zinc/42/73/60/553427360.db2.gz OVDLTQBDQBJJIN-VWLOTQADSA-N 0 0 531.635 1.889 50 0 KDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 ZINC000012921499 553427358 /nfs/dbraw/zinc/42/73/58/553427358.db2.gz OVDLTQBDQBJJIN-RUZDIDTESA-N 0 0 531.635 1.889 50 0 KDAARN COCCN(C(=O)COC(=O)CCc1ccccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012921650 553427323 /nfs/dbraw/zinc/42/73/23/553427323.db2.gz VITNSUXBRCUNAS-UHFFFAOYSA-N 0 0 510.547 1.331 50 0 KDAARN COCCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012921829 553427329 /nfs/dbraw/zinc/42/73/29/553427329.db2.gz OWVHUQXTGHQGDL-UHFFFAOYSA-N 0 0 510.547 1.467 50 0 KDAARN O=C(CSc1nncn1CC(=O)NC(=O)NCCc1cccs1)NC(=O)NCCc1cccs1 ZINC000012924741 553427546 /nfs/dbraw/zinc/42/75/46/553427546.db2.gz AUCPRDFMAMAVBP-UHFFFAOYSA-N 0 0 521.650 1.630 50 0 KDAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012926601 553427585 /nfs/dbraw/zinc/42/75/85/553427585.db2.gz JIJUDNQUUBJSJD-UHFFFAOYSA-N 0 0 520.656 1.014 50 0 KDAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000012927988 553427677 /nfs/dbraw/zinc/42/76/77/553427677.db2.gz TZWBCDANZUGZHD-UHFFFAOYSA-N 0 0 501.652 1.979 50 0 KDAARN COCCN(C(=O)CSc1n[nH]c(-c2ccccc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012928748 553427717 /nfs/dbraw/zinc/42/77/17/553427717.db2.gz XWEWZFJCNHPGPT-UHFFFAOYSA-N 0 0 507.576 1.724 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000012929098 553427745 /nfs/dbraw/zinc/42/77/45/553427745.db2.gz QIFUXWUIPIKTCN-GOSISDBHSA-N 0 0 502.655 1.776 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000012929103 553427703 /nfs/dbraw/zinc/42/77/03/553427703.db2.gz QIFUXWUIPIKTCN-SFHVURJKSA-N 0 0 502.655 1.776 50 0 KDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1C ZINC000012934576 553427751 /nfs/dbraw/zinc/42/77/51/553427751.db2.gz DGHAVKVPVTVXHE-UHFFFAOYSA-N 0 0 527.690 1.461 50 0 KDAARN CCCn1c(N)c(N(CCOC)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O ZINC000012937388 553427994 /nfs/dbraw/zinc/42/79/94/553427994.db2.gz XNRFICNXLVRTBH-UHFFFAOYSA-N 0 0 529.619 1.956 50 0 KDAARN CC(=O)c1ccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000012946897 553428178 /nfs/dbraw/zinc/42/81/78/553428178.db2.gz MJVZRQUYKIAQGY-UHFFFAOYSA-N 0 0 522.558 1.981 50 0 KDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012950955 553428361 /nfs/dbraw/zinc/42/83/61/553428361.db2.gz IIKYGDKDGOUXEV-INIZCTEOSA-N 0 0 517.560 1.551 50 0 KDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012950962 553428342 /nfs/dbraw/zinc/42/83/42/553428342.db2.gz IIKYGDKDGOUXEV-MRXNPFEDSA-N 0 0 517.560 1.551 50 0 KDAARN COc1cc(C(=O)NCCN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000012951351 553428541 /nfs/dbraw/zinc/42/85/41/553428541.db2.gz TVOKDLRZTFPKRJ-UHFFFAOYSA-N 0 0 517.579 1.926 50 0 KDAARN O=C(NCCCN1CCOCC1)C(C(=O)NCCCN1CCOCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000012955942 553429525 /nfs/dbraw/zinc/42/95/25/553429525.db2.gz QDTKFZJHHCHOCN-UHFFFAOYSA-N 0 0 535.995 1.514 50 0 KDAARN CCc1ccc(OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc2ccc(CC)cc2)cc1 ZINC000012974292 553431149 /nfs/dbraw/zinc/43/11/49/553431149.db2.gz SZAXJQFMMMPQMV-UHFFFAOYSA-N 0 0 500.548 1.588 50 0 KDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1 ZINC000012975653 553431133 /nfs/dbraw/zinc/43/11/33/553431133.db2.gz YSQHZEBDGAQEKU-UHFFFAOYSA-N 0 0 527.690 1.461 50 0 KDAARN O=C(COC(=O)COc1ccc(Cl)cc1)NCCNC(=O)COC(=O)COc1ccc(Cl)cc1 ZINC000012975850 553431189 /nfs/dbraw/zinc/43/11/89/553431189.db2.gz DKUFISOAJKXRKC-UHFFFAOYSA-N 0 0 513.330 1.770 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000012975864 553431208 /nfs/dbraw/zinc/43/12/08/553431208.db2.gz QARCRLWOIKYWRD-SFHVURJKSA-N 0 0 531.610 1.007 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000012975866 553431250 /nfs/dbraw/zinc/43/12/50/553431250.db2.gz QARCRLWOIKYWRD-GOSISDBHSA-N 0 0 531.610 1.007 50 0 KDAARN CCOc1ccc(NC(=O)COC(=O)CN2c3ccccc3C(=O)C2=O)cc1S(=O)(=O)N1CCCC1 ZINC000012979831 553431468 /nfs/dbraw/zinc/43/14/68/553431468.db2.gz VTQDKOWFCDNQNM-UHFFFAOYSA-N 0 0 515.544 1.581 50 0 KDAARN Cc1ccc(OCCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCOc2ccc(C)cc2)cc1 ZINC000012990197 553431694 /nfs/dbraw/zinc/43/16/94/553431694.db2.gz CJWNYPHLWTURIP-UHFFFAOYSA-N 0 0 500.548 1.860 50 0 KDAARN COCCN(C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012996761 553431719 /nfs/dbraw/zinc/43/17/19/553431719.db2.gz HENAPOCOVKPBTG-UHFFFAOYSA-N 0 0 511.535 1.151 50 0 KDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)CSCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O ZINC000012996765 553431705 /nfs/dbraw/zinc/43/17/05/553431705.db2.gz ICULGJPBXHBXBT-UHFFFAOYSA-N 0 0 511.604 1.979 50 0 KDAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000013000147 553431818 /nfs/dbraw/zinc/43/18/18/553431818.db2.gz PONLSSFFGYSGDZ-OAHLLOKOSA-N 0 0 500.533 1.436 50 0 KDAARN 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553512173 /nfs/dbraw/zinc/51/21/73/553512173.db2.gz YQDXRWCJEIWRFC-APWZRJJASA-N 0 0 521.617 1.944 50 0 KDAARN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000014356802 553512157 /nfs/dbraw/zinc/51/21/57/553512157.db2.gz YQDXRWCJEIWRFC-LPHOPBHVSA-N 0 0 521.617 1.944 50 0 KDAARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1 ZINC000014357916 553512671 /nfs/dbraw/zinc/51/26/71/553512671.db2.gz CJKJBMMMYIJJKO-IBGZPJMESA-N 0 0 515.588 1.805 50 0 KDAARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1 ZINC000014357919 553512655 /nfs/dbraw/zinc/51/26/55/553512655.db2.gz CJKJBMMMYIJJKO-LJQANCHMSA-N 0 0 515.588 1.805 50 0 KDAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000014357971 553512679 /nfs/dbraw/zinc/51/26/79/553512679.db2.gz XPFBBEUNQMOLRI-UHFFFAOYSA-N 0 0 517.604 1.917 50 0 KDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)c(C)c1 ZINC000014358334 553512851 /nfs/dbraw/zinc/51/28/51/553512851.db2.gz NDUFTHPIUPMPQM-UHFFFAOYSA-N 0 0 524.599 1.598 50 0 KDAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000014358725 553513148 /nfs/dbraw/zinc/51/31/48/553513148.db2.gz LRHYSFLAEBFCRX-JWGURIENSA-N 0 0 524.603 1.673 50 0 KDAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 ZINC000014359154 553513321 /nfs/dbraw/zinc/51/33/21/553513321.db2.gz MVDCZAREVYRJSJ-CYFREDJKSA-N 0 0 531.631 1.883 50 0 KDAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 ZINC000014359156 553513347 /nfs/dbraw/zinc/51/33/47/553513347.db2.gz MVDCZAREVYRJSJ-DVECYGJZSA-N 0 0 531.631 1.883 50 0 KDAARN COC(=O)C1CCN(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000014359384 553513493 /nfs/dbraw/zinc/51/34/93/553513493.db2.gz CMTUOYQFRIJAIV-SFHVURJKSA-N 0 0 508.515 1.963 50 0 KDAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014360491 553513980 /nfs/dbraw/zinc/51/39/80/553513980.db2.gz WHUHWNGIPQXPRR-QFIPXVFZSA-N 0 0 503.577 1.644 50 0 KDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000014361514 553514659 /nfs/dbraw/zinc/51/46/59/553514659.db2.gz WDLXKPNVNKCGSP-FQEVSTJZSA-N 0 0 523.633 1.889 50 0 KDAARN Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1S(=O)(=O)N(C)C ZINC000014361533 553514657 /nfs/dbraw/zinc/51/46/57/553514657.db2.gz MWRXGLZXYGBYPT-UHFFFAOYSA-N 0 0 507.638 1.954 50 0 KDAARN CC(C)OCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000014411432 553516144 /nfs/dbraw/zinc/51/61/44/553516144.db2.gz YDLXRIRYJGPRTF-JOCHJYFZSA-N 0 0 509.650 1.682 50 0 KDAARN CN(C)S(=O)(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000014533314 553517591 /nfs/dbraw/zinc/51/75/91/553517591.db2.gz CQKVAVISALDPQJ-QGZVFWFLSA-N 0 0 502.593 1.658 50 0 KDAARN CN(C)S(=O)(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000014533315 553517650 /nfs/dbraw/zinc/51/76/50/553517650.db2.gz CQKVAVISALDPQJ-KRWDZBQOSA-N 0 0 502.593 1.658 50 0 KDAARN CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000014538118 553518140 /nfs/dbraw/zinc/51/81/40/553518140.db2.gz HRNVDRVZLFOLPH-RUZDIDTESA-N 0 0 535.645 1.997 50 0 KDAARN CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000014538119 553518383 /nfs/dbraw/zinc/51/83/83/553518383.db2.gz HRNVDRVZLFOLPH-VWLOTQADSA-N 0 0 535.645 1.997 50 0 KDAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000014634421 553518981 /nfs/dbraw/zinc/51/89/81/553518981.db2.gz KMLLSVFLWTVALQ-UHFFFAOYSA-N 0 0 524.617 1.670 50 0 KDAARN CN(C)S(=O)(=O)c1cc(NCc2ccc3nsnc3c2)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000014740915 1066415919 /nfs/dbraw/zinc/41/59/19/1066415919.db2.gz YAPZRAPFYQLGLT-OAHLLOKOSA-N 0 0 502.622 1.891 50 0 KDAARN CN(C)S(=O)(=O)c1cc(NCc2ccc3nsnc3c2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000014740916 1066415730 /nfs/dbraw/zinc/41/57/30/1066415730.db2.gz YAPZRAPFYQLGLT-HNNXBMFYSA-N 0 0 502.622 1.891 50 0 KDAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)Cn2nc3ccccc3n2)CC(=O)N(CCc2ccccc2)C1 ZINC000014742066 553519604 /nfs/dbraw/zinc/51/96/04/553519604.db2.gz ZVDIDTXVLIKRRP-JOCHJYFZSA-N 0 0 506.607 1.598 50 0 KDAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)Cn2nc3ccccc3n2)CC(=O)N(CCc2ccccc2)C1 ZINC000014742067 553519616 /nfs/dbraw/zinc/51/96/16/553519616.db2.gz ZVDIDTXVLIKRRP-QFIPXVFZSA-N 0 0 506.607 1.598 50 0 KDAARN NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(NCc3ccc4c(c3)OCCO4)cc(C(=O)NC3CC3)c2)C1 ZINC000014745202 1066415807 /nfs/dbraw/zinc/41/58/07/1066415807.db2.gz QSAXDJSKYOGEEJ-QGZVFWFLSA-N 0 0 514.604 1.848 50 0 KDAARN NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(NCc3ccc4c(c3)OCCO4)cc(C(=O)NC3CC3)c2)C1 ZINC000014745203 1066415682 /nfs/dbraw/zinc/41/56/82/1066415682.db2.gz QSAXDJSKYOGEEJ-KRWDZBQOSA-N 0 0 514.604 1.848 50 0 KDAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000014943777 553521751 /nfs/dbraw/zinc/52/17/51/553521751.db2.gz RGAWAAOOJBIBGY-DWSYPVMBSA-N 0 0 508.962 1.538 50 0 KDAARN CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000015107509 553528012 /nfs/dbraw/zinc/52/80/12/553528012.db2.gz SNCKPKINIHDDJM-GOSISDBHSA-N 0 0 509.567 1.469 50 0 KDAARN CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1C ZINC000015107512 553527983 /nfs/dbraw/zinc/52/79/83/553527983.db2.gz SNCKPKINIHDDJM-SFHVURJKSA-N 0 0 509.567 1.469 50 0 KDAARN O=C(CSC[C@H](O)[C@@H](O)CSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 ZINC000015108995 553528008 /nfs/dbraw/zinc/52/80/08/553528008.db2.gz HDDCPASALXCSCE-HOTGVXAUSA-N 0 0 508.574 1.909 50 0 KDAARN O=C(CSC[C@@H](O)[C@H](O)CSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 ZINC000015109005 553528037 /nfs/dbraw/zinc/52/80/37/553528037.db2.gz HDDCPASALXCSCE-HZPDHXFCSA-N 0 0 508.574 1.909 50 0 KDAARN O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015186176 553528456 /nfs/dbraw/zinc/52/84/56/553528456.db2.gz OGOYXMKHNPRMCR-UHFFFAOYSA-N 0 0 509.338 1.389 50 0 KDAARN COc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccco1 ZINC000015221313 553528864 /nfs/dbraw/zinc/52/88/64/553528864.db2.gz SCMLBZLPRUUIEV-UHFFFAOYSA-N 0 0 509.523 1.812 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n2CC ZINC000015280264 553530743 /nfs/dbraw/zinc/53/07/43/553530743.db2.gz BSVYXTGZTCEZHM-OAHLLOKOSA-N 0 0 502.684 1.824 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1)n2CC ZINC000015280265 553530734 /nfs/dbraw/zinc/53/07/34/553530734.db2.gz BSVYXTGZTCEZHM-HNNXBMFYSA-N 0 0 502.684 1.824 50 0 KDAARN CCN1CCN(C(=O)c2ccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)CC1 ZINC000015414768 553532744 /nfs/dbraw/zinc/53/27/44/553532744.db2.gz SXVQSBBYAKOUTE-JOCHJYFZSA-N 0 0 505.579 1.755 50 0 biogenic KDAARN CCN1CCN(C(=O)c2ccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)CC1 ZINC000015414770 553532692 /nfs/dbraw/zinc/53/26/92/553532692.db2.gz SXVQSBBYAKOUTE-QFIPXVFZSA-N 0 0 505.579 1.755 50 0 biogenic KDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N(C)CC(OC)OC)cc1)N(C)CC3)OCO2 ZINC000015414838 553532657 /nfs/dbraw/zinc/53/26/57/553532657.db2.gz VFTBLGULJXOLPN-OAQYLSRUSA-N 0 0 510.551 1.668 50 0 biogenic KDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N(C)CC(OC)OC)cc1)N(C)CC3)OCO2 ZINC000015414841 553532729 /nfs/dbraw/zinc/53/27/29/553532729.db2.gz VFTBLGULJXOLPN-NRFANRHFSA-N 0 0 510.551 1.668 50 0 biogenic KDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCN4CCOCC4)cc1)N(C)CC3)OCO2 ZINC000015414945 553532786 /nfs/dbraw/zinc/53/27/86/553532786.db2.gz UPCYVLOWGHMZPB-JOCHJYFZSA-N 0 0 521.578 1.039 50 0 biogenic KDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCN4CCOCC4)cc1)N(C)CC3)OCO2 ZINC000015414948 553532712 /nfs/dbraw/zinc/53/27/12/553532712.db2.gz UPCYVLOWGHMZPB-QFIPXVFZSA-N 0 0 521.578 1.039 50 0 biogenic KDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N(C)CC(OC)OC)N(C)CC3)OCO2 ZINC000015414969 553532704 /nfs/dbraw/zinc/53/27/04/553532704.db2.gz YCQYXWLBHKNRGY-OAQYLSRUSA-N 0 0 510.551 1.668 50 0 biogenic KDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N(C)CC(OC)OC)N(C)CC3)OCO2 ZINC000015414972 553532855 /nfs/dbraw/zinc/53/28/55/553532855.db2.gz YCQYXWLBHKNRGY-NRFANRHFSA-N 0 0 510.551 1.668 50 0 biogenic KDAARN CCN1CCN(C(=O)c2ccccc2-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)CC1 ZINC000015415039 553532678 /nfs/dbraw/zinc/53/26/78/553532678.db2.gz IKXWHEPBUPMFGZ-JOCHJYFZSA-N 0 0 505.579 1.755 50 0 biogenic KDAARN CCN1CCN(C(=O)c2ccccc2-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)CC1 ZINC000015415042 553532817 /nfs/dbraw/zinc/53/28/17/553532817.db2.gz IKXWHEPBUPMFGZ-QFIPXVFZSA-N 0 0 505.579 1.755 50 0 biogenic KDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NCCN4CCOCC4)c1)N(C)CC3)OCO2 ZINC000015415490 553533347 /nfs/dbraw/zinc/53/33/47/553533347.db2.gz UNSLFJULPXHBGQ-JOCHJYFZSA-N 0 0 521.578 1.039 50 0 biogenic KDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NCCN4CCOCC4)c1)N(C)CC3)OCO2 ZINC000015415493 553533344 /nfs/dbraw/zinc/53/33/44/553533344.db2.gz UNSLFJULPXHBGQ-QFIPXVFZSA-N 0 0 521.578 1.039 50 0 biogenic KDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015544061 553533530 /nfs/dbraw/zinc/53/35/30/553533530.db2.gz GSHUIAWHBGFOKD-HNNXBMFYSA-N 0 0 513.494 1.608 50 0 KDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015544066 553533585 /nfs/dbraw/zinc/53/35/85/553533585.db2.gz GSHUIAWHBGFOKD-OAHLLOKOSA-N 0 0 513.494 1.608 50 0 KDAARN O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000015623827 553533705 /nfs/dbraw/zinc/53/37/05/553533705.db2.gz KGWFNMHTJAHJSD-INIZCTEOSA-N 0 0 507.496 1.642 50 0 KDAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000015634954 553533714 /nfs/dbraw/zinc/53/37/14/553533714.db2.gz OJLNQZCFTFOMOY-ZDUSSCGKSA-N 0 0 503.986 1.439 50 0 KDAARN COC(=O)C1=C(C(=O)OC)S[C@](Br)(C(=O)OC)[C@](Br)(C(=O)OC)S1 ZINC000015636847 553533900 /nfs/dbraw/zinc/53/39/00/553533900.db2.gz NNFVUXRTJJBEKW-TXEJJXNPSA-N 0 0 508.162 1.552 50 0 KDAARN COc1cc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc(OC)c1OC ZINC000015723808 553535310 /nfs/dbraw/zinc/53/53/10/553535310.db2.gz CYDPALWKOCKNEV-HHHXNRCGSA-N 0 0 521.574 2.000 50 0 KDAARN COc1cc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc(OC)c1OC ZINC000015723811 553535264 /nfs/dbraw/zinc/53/52/64/553535264.db2.gz CYDPALWKOCKNEV-MHZLTWQESA-N 0 0 521.574 2.000 50 0 KDAARN CC1=C(C(=O)N2CCN(c3ccccn3)CC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731388 553535446 /nfs/dbraw/zinc/53/54/46/553535446.db2.gz HIYGDXMWQZCTMD-UHFFFAOYSA-N 0 0 502.618 1.889 50 0 biogenic KDAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)S2(=O)=O)cc1 ZINC000015732926 553535721 /nfs/dbraw/zinc/53/57/21/553535721.db2.gz GGRBGGFELFWXQQ-LJQANCHMSA-N 0 0 504.586 1.715 50 0 KDAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3)S2(=O)=O)cc1 ZINC000015732927 553535673 /nfs/dbraw/zinc/53/56/73/553535673.db2.gz GGRBGGFELFWXQQ-IBGZPJMESA-N 0 0 504.586 1.715 50 0 KDAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)c(=O)c2cc1OC ZINC000015864652 553538790 /nfs/dbraw/zinc/53/87/90/553538790.db2.gz FKRBEMANNKLRNA-UHFFFAOYSA-N 0 0 518.526 1.947 50 0 KDAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000015865900 553539209 /nfs/dbraw/zinc/53/92/09/553539209.db2.gz DBWFGVXETBERGR-UHFFFAOYSA-N 0 0 528.679 1.264 50 0 KDAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000015865903 553539218 /nfs/dbraw/zinc/53/92/18/553539218.db2.gz ZMVBSDWCQLXWEW-UHFFFAOYSA-N 0 0 515.636 1.349 50 0 KDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000015865909 553539263 /nfs/dbraw/zinc/53/92/63/553539263.db2.gz LQBRAKSOJJRKAV-LJQANCHMSA-N 0 0 503.625 1.953 50 0 KDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000015865910 553539255 /nfs/dbraw/zinc/53/92/55/553539255.db2.gz LQBRAKSOJJRKAV-IBGZPJMESA-N 0 0 503.625 1.953 50 0 KDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000015866054 553539665 /nfs/dbraw/zinc/53/96/65/553539665.db2.gz ISWJQJUUYHYYHM-UHFFFAOYSA-N 0 0 504.609 1.648 50 0 KDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cn1c(C)nc2ccccc21 ZINC000015879623 553539857 /nfs/dbraw/zinc/53/98/57/553539857.db2.gz HLEULJKUXOCPGT-UHFFFAOYSA-N 0 0 502.549 1.556 50 0 KDAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)nn1 ZINC000015880814 553539893 /nfs/dbraw/zinc/53/98/93/553539893.db2.gz HPJWWEDCGDXMCI-UHFFFAOYSA-N 0 0 502.574 1.820 50 0 KDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 ZINC000015910188 553540653 /nfs/dbraw/zinc/54/06/53/553540653.db2.gz RCKAVAPEPSQNFP-UHFFFAOYSA-N 0 0 503.558 1.608 50 0 KDAARN COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cncn2)cc(OC)c1OC ZINC000015910748 553540882 /nfs/dbraw/zinc/54/08/82/553540882.db2.gz ADDDMIOFWXEBEV-UHFFFAOYSA-N 0 0 503.537 1.566 50 0 KDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 ZINC000015912131 553541493 /nfs/dbraw/zinc/54/14/93/553541493.db2.gz OPOBZIDCZQVMOR-UHFFFAOYSA-N 0 0 515.997 1.958 50 0 KDAARN CC(C)CN(C(=O)CCC(=O)OCC(=O)NCCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015925062 553542427 /nfs/dbraw/zinc/54/24/27/553542427.db2.gz MRZFJYSOKSPHLI-UHFFFAOYSA-N 0 0 515.611 1.446 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)c(=O)[nH]c1=O ZINC000015933625 553542445 /nfs/dbraw/zinc/54/24/45/553542445.db2.gz RNOYPVBRPDELRC-UHFFFAOYSA-N 0 0 503.585 1.484 50 0 KDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1 ZINC000015934736 553542543 /nfs/dbraw/zinc/54/25/43/553542543.db2.gz IBEUFMJDXLAMFQ-UHFFFAOYSA-N 0 0 513.663 1.153 50 0 KDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000015934912 553542643 /nfs/dbraw/zinc/54/26/43/553542643.db2.gz VGOUMMGPKIWPAI-OAQYLSRUSA-N 0 0 528.693 1.919 50 0 KDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000015934913 553542668 /nfs/dbraw/zinc/54/26/68/553542668.db2.gz VGOUMMGPKIWPAI-NRFANRHFSA-N 0 0 528.693 1.919 50 0 KDAARN CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015934917 553542600 /nfs/dbraw/zinc/54/26/00/553542600.db2.gz GGUVKUXCPMYGGD-INIZCTEOSA-N 0 0 501.584 1.978 50 0 KDAARN CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015934918 553542569 /nfs/dbraw/zinc/54/25/69/553542569.db2.gz GGUVKUXCPMYGGD-MRXNPFEDSA-N 0 0 501.584 1.978 50 0 KDAARN COc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000015934940 553542849 /nfs/dbraw/zinc/54/28/49/553542849.db2.gz MOBVBTSGYOJGEN-UHFFFAOYSA-N 0 0 505.593 1.592 50 0 KDAARN COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CCOCC1 ZINC000015935504 553542790 /nfs/dbraw/zinc/54/27/90/553542790.db2.gz YNMVOZKKWYWIJG-PGMHBOJBSA-N 0 0 512.588 1.934 50 0 KDAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCN(C)CC2)cc1 ZINC000015936427 553543103 /nfs/dbraw/zinc/54/31/03/553543103.db2.gz YOALVOHSYSHIFN-QJOMJCCJSA-N 0 0 525.631 1.849 50 0 KDAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCOCC2)cc1 ZINC000015936430 553543091 /nfs/dbraw/zinc/54/30/91/553543091.db2.gz ZUXYGGOQTFWVKW-JWGURIENSA-N 0 0 512.588 1.934 50 0 KDAARN CCOC(=O)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1ccc(C)cc1 ZINC000015936773 553543096 /nfs/dbraw/zinc/54/30/96/553543096.db2.gz DNXZFKSJJPGFOH-LJQANCHMSA-N 0 0 515.588 1.520 50 0 KDAARN CCOC(=O)C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1ccc(C)cc1 ZINC000015936774 553543076 /nfs/dbraw/zinc/54/30/76/553543076.db2.gz DNXZFKSJJPGFOH-IBGZPJMESA-N 0 0 515.588 1.520 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)C=Cc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000015940429 553543245 /nfs/dbraw/zinc/54/32/45/553543245.db2.gz KBDWTXKBCHHWPB-JXMROGBWSA-N 0 0 523.384 1.917 50 0 KDAARN CN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015940505 553543191 /nfs/dbraw/zinc/54/31/91/553543191.db2.gz FRQMCEQCCXIZFU-UHFFFAOYSA-N 0 0 515.526 1.256 50 0 KDAARN Cc1csc(=O)n1CCC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015940509 553543233 /nfs/dbraw/zinc/54/32/33/553543233.db2.gz YKFYKOVYEWFGTE-UHFFFAOYSA-N 0 0 515.592 1.321 50 0 KDAARN COCCN(C(=O)COC(=O)CCC(=O)c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015940519 553543181 /nfs/dbraw/zinc/54/31/81/553543181.db2.gz JUZWQPMKZFORLI-UHFFFAOYSA-N 0 0 522.558 1.661 50 0 KDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C[C@@H](C)O1 ZINC000015940755 553543400 /nfs/dbraw/zinc/54/34/00/553543400.db2.gz XSZORROSSCNIID-QZTJIDSGSA-N 0 0 523.633 1.758 50 0 KDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C[C@H](C)O1 ZINC000015940759 553543399 /nfs/dbraw/zinc/54/33/99/553543399.db2.gz XSZORROSSCNIID-HDICACEKSA-N 0 0 523.633 1.758 50 0 KDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C[C@H](C)O1 ZINC000015940761 553543428 /nfs/dbraw/zinc/54/34/28/553543428.db2.gz XSZORROSSCNIID-ROUUACIJSA-N 0 0 523.633 1.758 50 0 KDAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000015940799 553543407 /nfs/dbraw/zinc/54/34/07/553543407.db2.gz GNLAVSJNTJGBDS-UHFFFAOYSA-N 0 0 507.613 1.357 50 0 KDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]c1=O ZINC000015940802 553543430 /nfs/dbraw/zinc/54/34/30/553543430.db2.gz MEVBIPKZVWJOCH-UHFFFAOYSA-N 0 0 528.031 1.650 50 0 KDAARN COc1ccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000015940815 553543402 /nfs/dbraw/zinc/54/34/02/553543402.db2.gz AWRNYXURTFVUNO-UHFFFAOYSA-N 0 0 518.519 1.357 50 0 KDAARN CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000015944076 553543701 /nfs/dbraw/zinc/54/37/01/553543701.db2.gz LYAVOXUZZATDQV-UHFFFAOYSA-N 0 0 518.548 1.622 50 0 KDAARN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000015944082 553543692 /nfs/dbraw/zinc/54/36/92/553543692.db2.gz CFKQAQIARRVLRY-UHFFFAOYSA-N 0 0 508.940 1.876 50 0 KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000015954336 553546000 /nfs/dbraw/zinc/54/60/00/553546000.db2.gz TXIKBQYWWSLPJI-WRHNGFHOSA-N 0 0 525.602 1.355 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000015954337 553545981 /nfs/dbraw/zinc/54/59/81/553545981.db2.gz TXIKBQYWWSLPJI-XDBZFTIUSA-N 0 0 525.602 1.355 50 0 biogenic KDAARN Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(C)c2oc1=O ZINC000015954338 553546008 /nfs/dbraw/zinc/54/60/08/553546008.db2.gz HECFZBDSQFQFCH-WINIVTDRSA-N 0 0 513.591 1.483 50 0 biogenic KDAARN Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O ZINC000015954339 553545983 /nfs/dbraw/zinc/54/59/83/553545983.db2.gz HECFZBDSQFQFCH-UZTOHYMASA-N 0 0 513.591 1.483 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(C)c(C)c(=O)oc2c1 ZINC000015954473 553545990 /nfs/dbraw/zinc/54/59/90/553545990.db2.gz KXINCAOQEWAXDE-WINIVTDRSA-N 0 0 513.591 1.483 50 0 biogenic KDAARN Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c(C)c(C)c(=O)oc2c1 ZINC000015954474 553545964 /nfs/dbraw/zinc/54/59/64/553545964.db2.gz KXINCAOQEWAXDE-UZTOHYMASA-N 0 0 513.591 1.483 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000015954593 553545977 /nfs/dbraw/zinc/54/59/77/553545977.db2.gz NDZHVBKIFZZSOO-CRYYWNKWSA-N 0 0 511.575 1.047 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000015954594 553545972 /nfs/dbraw/zinc/54/59/72/553545972.db2.gz NDZHVBKIFZZSOO-CBZJRKILSA-N 0 0 511.575 1.047 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000015954760 553545997 /nfs/dbraw/zinc/54/59/97/553545997.db2.gz YTUKMTMUFQONEC-WRHNGFHOSA-N 0 0 525.602 1.437 50 0 biogenic KDAARN O=C(CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000015954761 553546006 /nfs/dbraw/zinc/54/60/06/553546006.db2.gz YTUKMTMUFQONEC-XDBZFTIUSA-N 0 0 525.602 1.437 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000015956736 553546339 /nfs/dbraw/zinc/54/63/39/553546339.db2.gz YOCPCFLXSNTXKR-WYMULPSZSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000015956737 553546343 /nfs/dbraw/zinc/54/63/43/553546343.db2.gz YOCPCFLXSNTXKR-CPVJYWEUSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015956946 553546267 /nfs/dbraw/zinc/54/62/67/553546267.db2.gz UBWNUSPDYLRFSV-GSONXBCMSA-N 0 0 510.934 1.626 50 0 biogenic KDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015956947 553546290 /nfs/dbraw/zinc/54/62/90/553546290.db2.gz UBWNUSPDYLRFSV-QLEBEQNUSA-N 0 0 510.934 1.626 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000015956987 553546350 /nfs/dbraw/zinc/54/63/50/553546350.db2.gz BWOSPXZFPDQYRC-WYMULPSZSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000015956988 553546299 /nfs/dbraw/zinc/54/62/99/553546299.db2.gz BWOSPXZFPDQYRC-CPVJYWEUSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(Cl)ccc3NC2=O)cc1OC ZINC000015957421 553546275 /nfs/dbraw/zinc/54/62/75/553546275.db2.gz STXHGNGMSKBWBW-FAELBMERSA-N 0 0 512.950 1.196 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(Cl)ccc3NC2=O)cc1OC ZINC000015957422 553546314 /nfs/dbraw/zinc/54/63/14/553546314.db2.gz STXHGNGMSKBWBW-KAMWDBRHSA-N 0 0 512.950 1.196 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1OC ZINC000015957944 553546302 /nfs/dbraw/zinc/54/63/02/553546302.db2.gz DXZWQYDLHZJHCH-RLLIMONSSA-N 0 0 506.559 1.159 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1OC ZINC000015957945 553546543 /nfs/dbraw/zinc/54/65/43/553546543.db2.gz DXZWQYDLHZJHCH-WTLLVQHOSA-N 0 0 506.559 1.159 50 0 biogenic KDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015958429 553546580 /nfs/dbraw/zinc/54/65/80/553546580.db2.gz VTGHXFNCEBBMSE-GSONXBCMSA-N 0 0 510.934 1.626 50 0 biogenic KDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015958430 553546563 /nfs/dbraw/zinc/54/65/63/553546563.db2.gz VTGHXFNCEBBMSE-QLEBEQNUSA-N 0 0 510.934 1.626 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(C)cc(C)c3NC2=O)cc1OC ZINC000015959686 553546943 /nfs/dbraw/zinc/54/69/43/553546943.db2.gz ZILUMCFGNWJGCM-RLLIMONSSA-N 0 0 506.559 1.159 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(C)cc(C)c3NC2=O)cc1OC ZINC000015959687 553546934 /nfs/dbraw/zinc/54/69/34/553546934.db2.gz ZILUMCFGNWJGCM-WTLLVQHOSA-N 0 0 506.559 1.159 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000015967555 553547160 /nfs/dbraw/zinc/54/71/60/553547160.db2.gz YFTHXKRDOWJZIO-WYMULPSZSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000015967558 553547199 /nfs/dbraw/zinc/54/71/99/553547199.db2.gz YFTHXKRDOWJZIO-CPVJYWEUSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968052 553547149 /nfs/dbraw/zinc/54/71/49/553547149.db2.gz IPOBZGPDCBNMIG-DVVWYOFYSA-N 0 0 506.559 1.105 50 0 biogenic KDAARN CCc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968054 553547156 /nfs/dbraw/zinc/54/71/56/553547156.db2.gz IPOBZGPDCBNMIG-WTLLVQHOSA-N 0 0 506.559 1.105 50 0 biogenic KDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968056 553547197 /nfs/dbraw/zinc/54/71/97/553547197.db2.gz IPOBZGPDCBNMIG-OZLNXOMTSA-N 0 0 506.559 1.105 50 0 biogenic KDAARN CCc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968058 553547176 /nfs/dbraw/zinc/54/71/76/553547176.db2.gz IPOBZGPDCBNMIG-RLLIMONSSA-N 0 0 506.559 1.105 50 0 biogenic KDAARN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1OC ZINC000015980538 553548522 /nfs/dbraw/zinc/54/85/22/553548522.db2.gz VTZVVRNRXZGLLG-UHFFFAOYSA-N 0 0 512.968 1.851 50 0 KDAARN O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NCCCN1CCCC1=O ZINC000015981538 553548880 /nfs/dbraw/zinc/54/88/80/553548880.db2.gz FNNMMGKFAUONID-UHFFFAOYSA-N 0 0 514.586 1.585 50 0 KDAARN COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000015982154 553549054 /nfs/dbraw/zinc/54/90/54/553549054.db2.gz SCCFHVYGANHZBI-ZCCHDVMBSA-N 0 0 507.609 1.692 50 0 KDAARN COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000015982156 553549003 /nfs/dbraw/zinc/54/90/03/553549003.db2.gz SCCFHVYGANHZBI-KIMHZCHSSA-N 0 0 507.609 1.692 50 0 KDAARN COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000015982158 553548987 /nfs/dbraw/zinc/54/89/87/553548987.db2.gz SCCFHVYGANHZBI-AYSMAOOMSA-N 0 0 507.609 1.692 50 0 KDAARN CC1(C)[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@H]2S1(=O)=O ZINC000016025599 553551193 /nfs/dbraw/zinc/55/11/93/553551193.db2.gz VTSDQSJBKBMGIY-NNWRFLSQSA-N 0 0 500.621 1.778 50 0 KDAARN CC1(C)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@H]2S1(=O)=O ZINC000016025603 553551173 /nfs/dbraw/zinc/55/11/73/553551173.db2.gz VTSDQSJBKBMGIY-FCEUIQTBSA-N 0 0 500.621 1.778 50 0 KDAARN CC1(C)[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@H]2S1(=O)=O ZINC000016026113 553551384 /nfs/dbraw/zinc/55/13/84/553551384.db2.gz BVLVIFMBEXJMPU-WWNPGLIZSA-N 0 0 508.600 1.646 50 0 KDAARN CC1(C)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@H]2S1(=O)=O ZINC000016026117 553551417 /nfs/dbraw/zinc/55/14/17/553551417.db2.gz BVLVIFMBEXJMPU-MZYLBHOOSA-N 0 0 508.600 1.646 50 0 KDAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 ZINC000016032558 553551550 /nfs/dbraw/zinc/55/15/50/553551550.db2.gz LCHGMGJQGGYDMD-WINIVTDRSA-N 0 0 513.591 1.429 50 0 biogenic KDAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 ZINC000016032559 553551580 /nfs/dbraw/zinc/55/15/80/553551580.db2.gz LCHGMGJQGGYDMD-UZTOHYMASA-N 0 0 513.591 1.429 50 0 biogenic KDAARN O=C(COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000016035663 553552189 /nfs/dbraw/zinc/55/21/89/553552189.db2.gz AOXJUGMWNGZLFX-YXSDIZSPSA-N 0 0 515.426 1.717 50 0 KDAARN O=C(COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000016035664 553552119 /nfs/dbraw/zinc/55/21/19/553552119.db2.gz AOXJUGMWNGZLFX-TYUXRXASSA-N 0 0 515.426 1.717 50 0 KDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 ZINC000016043519 553553118 /nfs/dbraw/zinc/55/31/18/553553118.db2.gz BDGXKYZFOWLPPZ-XNTDXEJSSA-N 0 0 501.561 1.817 50 0 KDAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000016043539 553553105 /nfs/dbraw/zinc/55/31/05/553553105.db2.gz VKDPMHHAQQKVOY-UHFFFAOYSA-N 0 0 523.633 1.698 50 0 KDAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000016043564 553553327 /nfs/dbraw/zinc/55/33/27/553553327.db2.gz GMYQJYQHONUQMF-UHFFFAOYSA-N 0 0 509.606 1.308 50 0 KDAARN CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000016043654 553553311 /nfs/dbraw/zinc/55/33/11/553553311.db2.gz IDPGPBHQDMGCTD-FQEVSTJZSA-N 0 0 506.602 1.236 50 0 KDAARN CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016043706 553553409 /nfs/dbraw/zinc/55/34/09/553553409.db2.gz GWNNBWBORXTTBN-HMAPJEAMSA-N 0 0 503.602 1.653 50 0 KDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000016044017 553553630 /nfs/dbraw/zinc/55/36/30/553553630.db2.gz VQGXRCABDMBZFU-UHFFFAOYSA-N 0 0 511.556 1.758 50 0 KDAARN COCCNC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)NCCOC)c(C)c2)cc1C ZINC000016044428 553553997 /nfs/dbraw/zinc/55/39/97/553553997.db2.gz JFMONUHCBXUUIA-UHFFFAOYSA-N 0 0 508.593 1.419 50 0 KDAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc3C2=O)cc1 ZINC000016044441 553553909 /nfs/dbraw/zinc/55/39/09/553553909.db2.gz MNTSOZKREFEBLQ-KRWDZBQOSA-N 0 0 500.529 1.688 50 0 KDAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2 ZINC000016044757 553554291 /nfs/dbraw/zinc/55/42/91/553554291.db2.gz CFAZKIQGIOILHV-HYBUGGRVSA-N 0 0 517.629 1.670 50 0 KDAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2 ZINC000016044758 553554295 /nfs/dbraw/zinc/55/42/95/553554295.db2.gz CFAZKIQGIOILHV-YKSBVNFPSA-N 0 0 517.629 1.670 50 0 KDAARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2 ZINC000016044759 553554283 /nfs/dbraw/zinc/55/42/83/553554283.db2.gz CFAZKIQGIOILHV-GBXCKJPGSA-N 0 0 517.629 1.670 50 0 KDAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2 ZINC000016044760 553554316 /nfs/dbraw/zinc/55/43/16/553554316.db2.gz CFAZKIQGIOILHV-RDPSFJRHSA-N 0 0 517.629 1.670 50 0 KDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016044808 553554301 /nfs/dbraw/zinc/55/43/01/553554301.db2.gz WXLBTHYLSXIETL-UHFFFAOYSA-N 0 0 510.985 1.773 50 0 KDAARN COc1ccc(-n2c(=O)c3cc(O)ccc3nc2SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000016044843 553554307 /nfs/dbraw/zinc/55/43/07/553554307.db2.gz VMYFQLBIQIITNO-HNNXBMFYSA-N 0 0 519.601 1.846 50 0 KDAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc3C2=O)cc1 ZINC000016044858 553554300 /nfs/dbraw/zinc/55/43/00/553554300.db2.gz AJKIJVCVCXMXRS-SFHVURJKSA-N 0 0 513.528 1.248 50 0 KDAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000016044965 553554402 /nfs/dbraw/zinc/55/44/02/553554402.db2.gz HDRUSHVUNCUEQM-UHFFFAOYSA-N 0 0 507.521 1.261 50 0 KDAARN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000016050358 553555019 /nfs/dbraw/zinc/55/50/19/553555019.db2.gz CDERZESWMQHRGX-NRFANRHFSA-N 0 0 520.629 1.626 50 0 KDAARN 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O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCCCN1CCOCC1 ZINC000033024934 553889840 /nfs/dbraw/zinc/88/98/40/553889840.db2.gz SMZNWHPNQZIFIN-UHFFFAOYSA-N 0 0 500.625 1.871 50 0 KDAARN COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(C)CC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033230 553892231 /nfs/dbraw/zinc/89/22/31/553892231.db2.gz YJBCHMDSYIBXOB-UHFFFAOYSA-N 0 0 503.625 1.302 50 0 KDAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000033033287 553891995 /nfs/dbraw/zinc/89/19/95/553891995.db2.gz HLGSNDUBDVPXBF-UHFFFAOYSA-N 0 0 507.638 1.873 50 0 KDAARN COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)N2CCN(C)CC2)ccc1N1CC[NH2+]CC1 ZINC000033033403 553892668 /nfs/dbraw/zinc/89/26/68/553892668.db2.gz FJDLSAWDLWUTER-UHFFFAOYSA-N 0 0 508.044 1.947 50 0 KDAARN CNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000033033417 553892749 /nfs/dbraw/zinc/89/27/49/553892749.db2.gz HSGKOJDIECJRLU-UHFFFAOYSA-N 0 0 510.016 1.377 50 0 KDAARN 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CCCN1C(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249967 553912081 /nfs/dbraw/zinc/91/20/81/553912081.db2.gz KTSBJIIQQBTKLK-RUZDIDTESA-N 0 0 530.651 1.186 50 0 KDAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033249972 553912008 /nfs/dbraw/zinc/91/20/08/553912008.db2.gz IVERIANGOJRVDO-SANMLTNESA-N 0 0 508.627 1.709 50 0 KDAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249973 553911997 /nfs/dbraw/zinc/91/19/97/553911997.db2.gz IVERIANGOJRVDO-AREMUKBSSA-N 0 0 508.627 1.709 50 0 KDAARN COc1cc(NC(=O)Nc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)s2)cc(OC)c1 ZINC000033268310 553919470 /nfs/dbraw/zinc/91/94/70/553919470.db2.gz NHMPILRTZLMDJZ-UHFFFAOYSA-N 0 0 504.554 1.635 50 0 KDAARN Cn1c(Sc2nnc(NC(=O)c3ccccc3Br)s2)nc2c1c(=O)n(C)c(=O)n2C ZINC000033268312 553919496 /nfs/dbraw/zinc/91/94/96/553919496.db2.gz IVOCNGCQFGRBBW-UHFFFAOYSA-N 0 0 508.383 1.988 50 0 KDAARN 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NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1 ZINC000033356108 553939389 /nfs/dbraw/zinc/93/93/89/553939389.db2.gz IXLFQOYRXPMVDT-AWEZNQCLSA-N 0 0 536.495 1.918 50 0 KDAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000033356318 553940677 /nfs/dbraw/zinc/94/06/77/553940677.db2.gz CVESUYCSPALKPO-UHFFFAOYSA-N 0 0 527.628 1.532 50 0 KDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(Cc4ccc5c(c4)OCO5)CC2)C(=O)CO3)CC1 ZINC000033356571 553942445 /nfs/dbraw/zinc/94/24/45/553942445.db2.gz BJAKXYMWFHTCMP-UHFFFAOYSA-N 0 0 570.668 1.906 50 0 KDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(C(=O)c4ccco4)CC2)C(=O)CO3)CC1 ZINC000033356574 553942499 /nfs/dbraw/zinc/94/24/99/553942499.db2.gz JAQMSJBUNLSPHJ-UHFFFAOYSA-N 0 0 530.603 1.410 50 0 KDAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)c1 ZINC000033356832 553944836 /nfs/dbraw/zinc/94/48/36/553944836.db2.gz RSWGDXIADHXIAR-UHFFFAOYSA-N 0 0 597.679 1.883 50 0 KDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(CCN1CCOCC1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000033356903 553945520 /nfs/dbraw/zinc/94/55/20/553945520.db2.gz HARWKQGCUKWHSR-BKMJKUGQSA-N 0 0 588.658 1.168 50 0 KDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(CCN1CCOCC1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000033356905 553945481 /nfs/dbraw/zinc/94/54/81/553945481.db2.gz HARWKQGCUKWHSR-NVQXNPDNSA-N 0 0 588.658 1.168 50 0 KDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(CCN1CCOCC1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000033356907 553945443 /nfs/dbraw/zinc/94/54/43/553945443.db2.gz HARWKQGCUKWHSR-ATIYNZHBSA-N 0 0 588.658 1.168 50 0 KDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(CCN1CCOCC1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000033356909 553945504 /nfs/dbraw/zinc/94/55/04/553945504.db2.gz HARWKQGCUKWHSR-GJZUVCINSA-N 0 0 588.658 1.168 50 0 KDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000033356934 553945767 /nfs/dbraw/zinc/94/57/67/553945767.db2.gz XUJFTQAJJLWWLI-YADARESESA-N 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0 KDAARN Cc1sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033357715 553950412 /nfs/dbraw/zinc/95/04/12/553950412.db2.gz VGTMSGJBAIBXAZ-GOSISDBHSA-N 0 0 597.679 1.024 50 0 KDAARN Cc1sc2ncn(CC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033357716 553950343 /nfs/dbraw/zinc/95/03/43/553950343.db2.gz VGTMSGJBAIBXAZ-SFHVURJKSA-N 0 0 597.679 1.024 50 0 KDAARN Cc1sc2ncn(CC(=O)NCc3cccs3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033357718 553950378 /nfs/dbraw/zinc/95/03/78/553950378.db2.gz JQXKAIYOAURIAS-UHFFFAOYSA-N 0 0 545.672 1.445 50 0 KDAARN O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000033357748 553950659 /nfs/dbraw/zinc/95/06/59/553950659.db2.gz SFZGXASEEIRIEJ-UHFFFAOYSA-N 0 0 531.550 1.716 50 0 KDAARN CCOC(=O)CC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000033357805 553951132 /nfs/dbraw/zinc/95/11/32/553951132.db2.gz POQMPKRKACBRMC-UHFFFAOYSA-N 0 0 547.611 1.688 50 0 KDAARN CCOC(Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O)OCC ZINC000033357817 553951117 /nfs/dbraw/zinc/95/11/17/553951117.db2.gz SUWXRSCMDLPOKD-UHFFFAOYSA-N 0 0 534.660 1.894 50 0 KDAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000033357874 553951656 /nfs/dbraw/zinc/95/16/56/553951656.db2.gz SEJMQMGCGFXDBF-KRWDZBQOSA-N 0 0 568.608 1.948 50 0 KDAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000033357875 553951683 /nfs/dbraw/zinc/95/16/83/553951683.db2.gz SEJMQMGCGFXDBF-QGZVFWFLSA-N 0 0 568.608 1.948 50 0 KDAARN O=C(Nc1snnc1C(=O)N1CCN(c2ncccn2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435760 553960128 /nfs/dbraw/zinc/96/01/28/553960128.db2.gz VFGUCLDQFYSJBO-CVEARBPZSA-N 0 0 507.580 1.103 50 0 KDAARN O=C(Nc1snnc1C(=O)N1CCN(c2ccccn2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435762 553960236 /nfs/dbraw/zinc/96/02/36/553960236.db2.gz DMUGMMXIFWKMGX-SJORKVTESA-N 0 0 506.592 1.708 50 0 KDAARN O=C(Nc1snnc1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCN(c2ccccn2)CC1 ZINC000033436093 553960088 /nfs/dbraw/zinc/96/00/88/553960088.db2.gz CRCGSHDHSHUDAF-SJORKVTESA-N 0 0 506.592 1.708 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000033479638 1066351357 /nfs/dbraw/zinc/35/13/57/1066351357.db2.gz RTAOKZRPPKHAFZ-XFXZXTDPSA-N 0 0 503.577 1.851 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000033480115 1066351875 /nfs/dbraw/zinc/35/18/75/1066351875.db2.gz LDEYASRELOIXJG-PFONDFGASA-N 0 0 509.606 1.789 50 0 KDAARN C[C@@H](OC(=O)CNS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033497144 1066351864 /nfs/dbraw/zinc/35/18/64/1066351864.db2.gz KDXCANJAXNUASH-BBLCHGJFSA-N 0 0 521.617 1.932 50 0 KDAARN C[C@H](OC(=O)CNS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033497145 1066351765 /nfs/dbraw/zinc/35/17/65/1066351765.db2.gz KDXCANJAXNUASH-ZUTYSQTGSA-N 0 0 521.617 1.932 50 0 KDAARN 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CCn1cc(C(=O)NCCN2CCOCC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338616 554532722 /nfs/dbraw/zinc/53/27/22/554532722.db2.gz JPBZNTMTYWJPSY-UHFFFAOYSA-N 0 0 504.657 1.093 50 0 KDAARN C/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCCc3ccc(O)c(c3)Oc3ccc(cc3)CCOC(=O)C[C@H]21 ZINC000067911218 554536664 /nfs/dbraw/zinc/53/66/64/554536664.db2.gz YRQNFHSTTZXQBU-HTVHDVGDSA-N 0 0 628.627 1.379 50 0 biogenic,in-vitro KDAARN Cn1nnnc1N1CCC(N(CC(=O)NCc2ccccc2F)CC(=O)NCc2ccccc2F)CC1 ZINC000069518720 553593194 /nfs/dbraw/zinc/59/31/94/553593194.db2.gz JYNWZDGJZOLRRH-UHFFFAOYSA-N 0 0 512.565 1.392 50 0 KDAARN CCO[C@@H]1OC(=O)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C ZINC000070466457 562716357 /nfs/dbraw/zinc/71/63/57/562716357.db2.gz SJDDOCKBXFJEJB-PDPLOHQNSA-N 0 0 509.003 1.852 50 0 KDAARN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1)C(=O)NCC(N)=O ZINC000070664552 553594651 /nfs/dbraw/zinc/59/46/51/553594651.db2.gz UGSZFUPBYPJSOT-ZNZIZOMTSA-N 0 0 626.755 1.150 50 0 biogenic KDAARN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 ZINC000070664703 553595015 /nfs/dbraw/zinc/59/50/15/553595015.db2.gz LYAGMCSCYXQWFA-SDHSZQHLSA-N 0 0 606.680 1.677 50 0 biogenic KDAARN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 ZINC000070664707 553594909 /nfs/dbraw/zinc/59/49/09/553594909.db2.gz LYAGMCSCYXQWFA-DSITVLBTSA-N 0 0 606.680 1.677 50 0 biogenic KDAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070664795 553595307 /nfs/dbraw/zinc/59/53/07/553595307.db2.gz WAEKSZJQJUDRCQ-GIDFYXQGSA-N 0 0 565.553 1.736 50 0 biogenic KDAARN O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H](O)[C@@H](O)[C@@H]1OC(=O)c1cccnc1)c1cccnc1 ZINC000070665317 553596016 /nfs/dbraw/zinc/59/60/16/553596016.db2.gz JTHMZZBJEBXXJU-XCQFYCGYSA-N 0 0 600.540 1.204 50 0 biogenic KDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(OC(C)=O)C[C@H](OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)C1 ZINC000070665362 553596310 /nfs/dbraw/zinc/59/63/10/553596310.db2.gz HQJMMMNUCZFHGX-DOSBHYPPSA-N 0 0 560.556 1.259 50 0 biogenic KDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(OC(C)=O)C[C@@H](OC(C)=O)C(OC(C)=O)[C@H](OC(C)=O)C1 ZINC000070665363 553596313 /nfs/dbraw/zinc/59/63/13/553596313.db2.gz HQJMMMNUCZFHGX-CULZIHDPSA-N 0 0 560.556 1.259 50 0 biogenic KDAARN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000070665376 553596320 /nfs/dbraw/zinc/59/63/20/553596320.db2.gz ALFHONPOIOCTBA-YFJHUXEUSA-N 0 0 625.727 1.255 50 0 biogenic KDAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000070665378 553596252 /nfs/dbraw/zinc/59/62/52/553596252.db2.gz ALFHONPOIOCTBA-HKTJVKLFSA-N 0 0 625.727 1.255 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@@H](COc2ccc(C(=O)Cc3ccccn3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665388 553596317 /nfs/dbraw/zinc/59/63/17/553596317.db2.gz SMYUXOHXTSVMRU-VFHRMQJUSA-N 0 0 573.551 1.717 50 0 biogenic KDAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000070665508 553596346 /nfs/dbraw/zinc/59/63/46/553596346.db2.gz IQPQUCSPCDSVLE-SUVAEINISA-N 0 0 629.615 1.874 50 0 biogenic KDAARN C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(N)=O ZINC000070665721 553596886 /nfs/dbraw/zinc/59/68/86/553596886.db2.gz GPMQUFLHTOTVNB-IOMROCGXSA-N 0 0 605.689 1.534 50 0 biogenic KDAARN C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O ZINC000070665724 553596939 /nfs/dbraw/zinc/59/69/39/553596939.db2.gz GPMQUFLHTOTVNB-WMQCIHAUSA-N 0 0 605.689 1.534 50 0 biogenic KDAARN C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(N)=O ZINC000070665725 553596883 /nfs/dbraw/zinc/59/68/83/553596883.db2.gz GPMQUFLHTOTVNB-DZFGPLHGSA-N 0 0 605.689 1.534 50 0 biogenic KDAARN C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O ZINC000070665728 553596870 /nfs/dbraw/zinc/59/68/70/553596870.db2.gz GPMQUFLHTOTVNB-YYWHXJBOSA-N 0 0 605.689 1.534 50 0 biogenic KDAARN CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000070665882 553597179 /nfs/dbraw/zinc/59/71/79/553597179.db2.gz QOODJIGZPUJBAH-FXAWDEMLSA-N 0 0 594.662 1.737 50 0 biogenic KDAARN CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000070665885 553597184 /nfs/dbraw/zinc/59/71/84/553597184.db2.gz QOODJIGZPUJBAH-PXNSSMCTSA-N 0 0 594.662 1.737 50 0 biogenic KDAARN CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665902 553597470 /nfs/dbraw/zinc/59/74/70/553597470.db2.gz OODLPYNTTOEQHX-SLMCZFSBSA-N 0 0 556.656 1.893 50 0 biogenic KDAARN CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665904 553597523 /nfs/dbraw/zinc/59/75/23/553597523.db2.gz OODLPYNTTOEQHX-GKKRZOOYSA-N 0 0 556.656 1.893 50 0 biogenic KDAARN CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665906 553597435 /nfs/dbraw/zinc/59/74/35/553597435.db2.gz OODLPYNTTOEQHX-UJOIGEQOSA-N 0 0 556.656 1.893 50 0 biogenic KDAARN CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665908 553597462 /nfs/dbraw/zinc/59/74/62/553597462.db2.gz OODLPYNTTOEQHX-YLESFEINSA-N 0 0 556.656 1.893 50 0 biogenic KDAARN COC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000070669923 553599500 /nfs/dbraw/zinc/59/95/00/553599500.db2.gz PVXVBVRGZUTEDV-ABSDTBQOSA-N 0 0 594.662 1.735 50 0 biogenic KDAARN COC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000070669924 553599502 /nfs/dbraw/zinc/59/95/02/553599502.db2.gz PVXVBVRGZUTEDV-ZWOKBUDYSA-N 0 0 594.662 1.735 50 0 biogenic KDAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000070669972 553599796 /nfs/dbraw/zinc/59/97/96/553599796.db2.gz YIYMRLVKQIKDBH-RBZQAINGSA-N 0 0 568.675 1.888 50 0 biogenic KDAARN Cc1ccc(S(=O)(=O)NC2(C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCCCC2)cc1 ZINC000070670039 553600060 /nfs/dbraw/zinc/60/00/60/553600060.db2.gz IRISLIVIXHVISZ-FCHUYYIVSA-N 0 0 563.721 1.100 50 0 biogenic KDAARN Cc1ccc(S(=O)(=O)NC2(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCCCC2)cc1 ZINC000070670040 553600062 /nfs/dbraw/zinc/60/00/62/553600062.db2.gz IRISLIVIXHVISZ-VXKWHMMOSA-N 0 0 563.721 1.100 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070670062 553600096 /nfs/dbraw/zinc/60/00/96/553600096.db2.gz QNUXZEWIJXLGKZ-JJMUUSAGSA-N 0 0 604.609 1.432 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@@H](c2c(OC(C)=O)cc3oc(=O)ccc3c2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070670080 553600054 /nfs/dbraw/zinc/60/00/54/553600054.db2.gz ODBNKIQVXUKUDR-GZCVLSHOSA-N 0 0 592.506 1.442 50 0 biogenic KDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000070670145 553600674 /nfs/dbraw/zinc/60/06/74/553600674.db2.gz FFFOTTKAGAJIFY-PYOVJYMUSA-N 0 0 527.526 1.252 50 0 biogenic KDAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000070670150 553600670 /nfs/dbraw/zinc/60/06/70/553600670.db2.gz KFBDAOUCKDPYAP-CXTGUETESA-N 0 0 545.541 1.707 50 0 biogenic KDAARN CC(=O)OC[C@@H]1O[C@@H](On2c(=O)c3ccccc3nc2-c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070671723 553601428 /nfs/dbraw/zinc/60/14/28/553601428.db2.gz KWJKVIYKVIMPRC-SLIMJBHWSA-N 0 0 568.535 1.575 50 0 biogenic KDAARN CC(=O)OC[C@@H]1O[C@H](On2c(=O)c3ccccc3nc2-c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070671726 553601371 /nfs/dbraw/zinc/60/13/71/553601371.db2.gz KWJKVIYKVIMPRC-CPIYQPHESA-N 0 0 568.535 1.575 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OC(C)=O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672404 553601969 /nfs/dbraw/zinc/60/19/69/553601969.db2.gz UKPWCZKLSZPHDA-STNJJRRMSA-N 0 0 585.562 1.648 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070681090 553604913 /nfs/dbraw/zinc/60/49/13/553604913.db2.gz ZBYDOGVAOZEPSJ-HROMDODWSA-N 0 0 532.498 1.744 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070686544 553605316 /nfs/dbraw/zinc/60/53/16/553605316.db2.gz ZBYDOGVAOZEPSJ-IUSCBXDMSA-N 0 0 532.498 1.744 50 0 biogenic KDAARN CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 ZINC000070691597 553608147 /nfs/dbraw/zinc/60/81/47/553608147.db2.gz ZROBFGFYYIZSQW-PRDVQWLOSA-N 0 0 520.487 1.817 50 0 biogenic KDAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)c(C)c(=O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070691731 553608341 /nfs/dbraw/zinc/60/83/41/553608341.db2.gz VHGVNYJEZVVZRL-LEKAPFLCSA-N 0 0 520.487 1.872 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000070692020 553609124 /nfs/dbraw/zinc/60/91/24/553609124.db2.gz YOCPCFLXSNTXKR-GPNHVJLWSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000070692147 553609885 /nfs/dbraw/zinc/60/98/85/553609885.db2.gz BWOSPXZFPDQYRC-GPNHVJLWSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN CC(C)[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCCC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000070698558 553614536 /nfs/dbraw/zinc/61/45/36/553614536.db2.gz OKDMHDCSXOJAGB-AHPZTNMXSA-N 0 0 536.633 1.647 50 0 biogenic KDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000070700139 553617654 /nfs/dbraw/zinc/61/76/54/553617654.db2.gz YFTHXKRDOWJZIO-GPNHVJLWSA-N 0 0 526.977 1.504 50 0 biogenic KDAARN COc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)c1 ZINC000070705744 553626142 /nfs/dbraw/zinc/62/61/42/553626142.db2.gz SQAOLRBNCHCBJD-OEMFJLHTSA-N 0 0 538.626 1.654 50 0 biogenic KDAARN COc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)c1 ZINC000070705747 553626316 /nfs/dbraw/zinc/62/63/16/553626316.db2.gz SQAOLRBNCHCBJD-QPTUXGOLSA-N 0 0 538.626 1.654 50 0 biogenic 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CC(=O)OC[C@@H]1O[C@@H](Oc2cccc(OC(C)=O)c2C(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000100815776 554476239 /nfs/dbraw/zinc/47/62/39/554476239.db2.gz NFBYQOQQDWPIBN-SMQFJCFBSA-N 0 0 524.475 1.276 50 0 KDAARN CC(=O)OC[C@H]1O[C@@H](Oc2cccc(OC(C)=O)c2C(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000100815778 554476068 /nfs/dbraw/zinc/47/60/68/554476068.db2.gz NFBYQOQQDWPIBN-MENZVKOBSA-N 0 0 524.475 1.276 50 0 KDAARN CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C(=O)OC)[C@@H](c2ccc(OCC)cc2)C=3C(=O)OC)cc1 ZINC000100817057 554477286 /nfs/dbraw/zinc/47/72/86/554477286.db2.gz CQBNEYXXTPPZCS-WOHXKIKESA-N 0 0 536.606 1.957 50 0 KDAARN CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C(=O)OC)[C@H](c2ccc(OCC)cc2)C=3C(=O)OC)cc1 ZINC000100817061 554477284 /nfs/dbraw/zinc/47/72/84/554477284.db2.gz CQBNEYXXTPPZCS-LDVBQKTRSA-N 0 0 536.606 1.957 50 0 KDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000100821190 554480352 /nfs/dbraw/zinc/48/03/52/554480352.db2.gz QYLXHIFSZBKDIV-VXKWHMMOSA-N 0 0 540.617 1.255 50 0 biogenic KDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000100821194 554480358 /nfs/dbraw/zinc/48/03/58/554480358.db2.gz QYLXHIFSZBKDIV-YADHBBJMSA-N 0 0 540.617 1.255 50 0 biogenic KDAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000100821197 554480388 /nfs/dbraw/zinc/48/03/88/554480388.db2.gz QYLXHIFSZBKDIV-FCHUYYIVSA-N 0 0 540.617 1.255 50 0 biogenic KDAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000100821199 554480406 /nfs/dbraw/zinc/48/04/06/554480406.db2.gz QYLXHIFSZBKDIV-FGZHOGPDSA-N 0 0 540.617 1.255 50 0 biogenic KDAARN CCOC(=O)c1s/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)n(C)c1C ZINC000100843314 554490321 /nfs/dbraw/zinc/49/03/21/554490321.db2.gz QFUINHQOVNVIMJ-XTQSDGFTSA-N 0 0 524.621 1.776 50 0 KDAARN COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1OC ZINC000100852646 554493134 /nfs/dbraw/zinc/49/31/34/554493134.db2.gz SYWRVHOCJODWJM-UHFFFAOYSA-N 0 0 588.617 1.975 50 0 KDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)CC1 ZINC000100859781 554494420 /nfs/dbraw/zinc/49/44/20/554494420.db2.gz PRQCGHUUOXJVPA-GYHWCHFESA-N 0 0 566.683 1.847 50 0 KDAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000100868989 554497522 /nfs/dbraw/zinc/49/75/22/554497522.db2.gz UHJBMHGOKUQDBE-LJQANCHMSA-N 0 0 530.868 1.876 50 0 KDAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000100868992 554497466 /nfs/dbraw/zinc/49/74/66/554497466.db2.gz UHJBMHGOKUQDBE-IBGZPJMESA-N 0 0 530.868 1.876 50 0 KDAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100872419 554501017 /nfs/dbraw/zinc/50/10/17/554501017.db2.gz YWDKGGNRTIGGFN-VHXPQNKSSA-N 0 0 519.601 1.898 50 0 KDAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100872774 554501693 /nfs/dbraw/zinc/50/16/93/554501693.db2.gz VYEQNIFTCCXTLV-FCQUAONHSA-N 0 0 539.657 1.515 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOC)cc1 ZINC000100872885 554501749 /nfs/dbraw/zinc/50/17/49/554501749.db2.gz NOFNCBVVNWTTDC-LNVKXUELSA-N 0 0 526.662 1.768 50 0 KDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100872915 554501954 /nfs/dbraw/zinc/50/19/54/554501954.db2.gz YGGIHOJLFWHCAW-LNVKXUELSA-N 0 0 524.646 1.522 50 0 KDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100872937 554502008 /nfs/dbraw/zinc/50/20/08/554502008.db2.gz AMTBFCRQAFDNIY-SGVWPLLPSA-N 0 0 568.699 1.536 50 0 KDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100872939 554502022 /nfs/dbraw/zinc/50/20/22/554502022.db2.gz AMTBFCRQAFDNIY-PHLKBOCDSA-N 0 0 568.699 1.536 50 0 KDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100872940 554501987 /nfs/dbraw/zinc/50/19/87/554501987.db2.gz AMTBFCRQAFDNIY-GRITWOACSA-N 0 0 568.699 1.536 50 0 KDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(N)(=O)=O)ccc4n3CCOC)cc2)CC1 ZINC000100872976 554502026 /nfs/dbraw/zinc/50/20/26/554502026.db2.gz WDJINQSNDIKNMO-RWEWTDSWSA-N 0 0 611.724 1.201 50 0 KDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000100873610 554502433 /nfs/dbraw/zinc/50/24/33/554502433.db2.gz BHKKSAKQTSWYCP-XDOYNYLZSA-N 0 0 512.635 1.378 50 0 KDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100873621 554502574 /nfs/dbraw/zinc/50/25/74/554502574.db2.gz GTNJXMQYAWLUTA-PBPKIEIKSA-N 0 0 582.726 1.926 50 0 KDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100873624 554502466 /nfs/dbraw/zinc/50/24/66/554502466.db2.gz GTNJXMQYAWLUTA-OONGNWCQSA-N 0 0 582.726 1.926 50 0 KDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100873625 554502536 /nfs/dbraw/zinc/50/25/36/554502536.db2.gz GTNJXMQYAWLUTA-JSOFMQCWSA-N 0 0 582.726 1.926 50 0 KDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000100873630 554502819 /nfs/dbraw/zinc/50/28/19/554502819.db2.gz OSMABOBCBXKPQF-GYHWCHFESA-N 0 0 502.574 1.781 50 0 KDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1 ZINC000100873633 554502810 /nfs/dbraw/zinc/50/28/10/554502810.db2.gz JDLCGGBENVPERM-PNHLSOANSA-N 0 0 625.751 1.591 50 0 KDAARN CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2CC(=O)OC ZINC000100876147 554504140 /nfs/dbraw/zinc/50/41/40/554504140.db2.gz GPBGPUPNLASTBO-IZHYLOQSSA-N 0 0 547.611 1.815 50 0 KDAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2CC(=O)OC)cc1 ZINC000100876350 554504426 /nfs/dbraw/zinc/50/44/26/554504426.db2.gz GIBKGZQLLPNBRJ-VHXPQNKSSA-N 0 0 521.617 1.900 50 0 KDAARN COC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100876541 554504461 /nfs/dbraw/zinc/50/44/61/554504461.db2.gz VZPWENZRYMENOU-FCQUAONHSA-N 0 0 537.641 1.805 50 0 KDAARN COC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000100876542 554504422 /nfs/dbraw/zinc/50/44/22/554504422.db2.gz TUECVDOKNFSHKO-MRCUWXFGSA-N 0 0 511.603 1.271 50 0 KDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876590 554504499 /nfs/dbraw/zinc/50/44/99/554504499.db2.gz UDGVTGWCLPVQQM-LNVKXUELSA-N 0 0 540.645 1.295 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100876636 554504449 /nfs/dbraw/zinc/50/44/49/554504449.db2.gz GDYVDFSLIQUTLC-GYHWCHFESA-N 0 0 552.656 1.439 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100876642 554504402 /nfs/dbraw/zinc/50/44/02/554504402.db2.gz NNXLCFHPWLKFHI-LNVKXUELSA-N 0 0 538.629 1.049 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100876668 554504610 /nfs/dbraw/zinc/50/46/10/554504610.db2.gz IELLAGKAIWTFPC-BZZOAKBMSA-N 0 0 566.683 1.829 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100876671 554504667 /nfs/dbraw/zinc/50/46/67/554504667.db2.gz SYWHYMMZUMALRL-WTXFQSTBSA-N 0 0 582.682 1.062 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100876674 554504586 /nfs/dbraw/zinc/50/45/86/554504586.db2.gz SYWHYMMZUMALRL-YWHNGMMOSA-N 0 0 582.682 1.062 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100876677 554504737 /nfs/dbraw/zinc/50/47/37/554504737.db2.gz SYWHYMMZUMALRL-QIRTUCFOSA-N 0 0 582.682 1.062 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000100876715 554504662 /nfs/dbraw/zinc/50/46/62/554504662.db2.gz HQQMZOBMZCGREA-VCYIBEIOSA-N 0 0 580.710 1.931 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000100876717 554504616 /nfs/dbraw/zinc/50/46/16/554504616.db2.gz HQQMZOBMZCGREA-VNIBXFEXSA-N 0 0 580.710 1.931 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000100876719 554504621 /nfs/dbraw/zinc/50/46/21/554504621.db2.gz HQQMZOBMZCGREA-UFFQQSBUSA-N 0 0 580.710 1.931 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000100876754 554504592 /nfs/dbraw/zinc/50/45/92/554504592.db2.gz XNGKOOBZXZHYNC-BZZOAKBMSA-N 0 0 566.683 1.685 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000100876758 554504720 /nfs/dbraw/zinc/50/47/20/554504720.db2.gz FGYGKTREYJLPMS-OIKHPULZSA-N 0 0 566.683 1.685 50 0 KDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000100876759 554504733 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COCCn1ncc(N2CC[C@H](C(=O)N3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)C2)cc1=O ZINC000575314727 1066355541 /nfs/dbraw/zinc/35/55/41/1066355541.db2.gz GWFVTUWXECNPIM-SFHVURJKSA-N 0 0 513.986 1.768 50 0 KDAARN O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCC[C@@H](Cc2nncn2-c2ccccc2)C1 ZINC000575316799 1066355818 /nfs/dbraw/zinc/35/58/18/1066355818.db2.gz GSKJULWKIGXXER-FQEVSTJZSA-N 0 0 502.641 1.337 50 0 KDAARN O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCC[C@H](Cc2nncn2-c2ccccc2)C1 ZINC000575316800 1066347307 /nfs/dbraw/zinc/34/73/07/1066347307.db2.gz GSKJULWKIGXXER-HXUWFJFHSA-N 0 0 502.641 1.337 50 0 KDAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NN4CCOCC4)CC3)cc21 ZINC000581738739 1066210746 /nfs/dbraw/zinc/21/07/46/1066210746.db2.gz OPBQZIVQGLPPJX-UHFFFAOYSA-N 0 0 529.457 1.512 50 0 KDAARN Cn1c2ncn(CC(=O)N3CCCn4nc(-c5cccc(C(F)(F)F)c5)cc4C3)c2c(=O)n(C)c1=O ZINC000581777764 1066215698 /nfs/dbraw/zinc/21/56/98/1066215698.db2.gz FXNNRTWIFMRIAH-UHFFFAOYSA-N 0 0 501.469 1.749 50 0 KDAARN 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KDAARN CCOc1ccc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1Cl ZINC000952863646 1066362046 /nfs/dbraw/zinc/36/20/46/1066362046.db2.gz REDGTRBDJUNVGN-PGRDOPGGSA-N 0 0 568.034 1.445 50 0 KDAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(N(C)C)nc2)CCNC1=O ZINC000952863669 1066366926 /nfs/dbraw/zinc/36/69/26/1066366926.db2.gz RJXHRBYKDHWYJR-XMMPIXPASA-N 0 0 580.665 1.916 50 0 KDAARN COCCN1CC(=O)N[C@H](C(=O)N2CCOc3ccccc3C2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952863676 1066369799 /nfs/dbraw/zinc/36/97/99/1066369799.db2.gz DYILHMRUPSTNMQ-UIOOFZCWSA-N 0 0 580.682 1.533 50 0 KDAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCc1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952863679 1066371269 /nfs/dbraw/zinc/37/12/69/1066371269.db2.gz BVDKKKXMMVPNRU-LXJPPPMVSA-N 0 0 710.873 1.676 50 0 KDAARN O=C1N[C@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952863680 1066371424 /nfs/dbraw/zinc/37/14/24/1066371424.db2.gz DZFOPKHJHQARIB-FPOVZHCZSA-N 0 0 541.012 1.872 50 0 KDAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cn1cccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863684 1066371305 /nfs/dbraw/zinc/37/13/05/1066371305.db2.gz RVHRPMPCBCEYMZ-SANMLTNESA-N 0 0 600.680 1.495 50 0 KDAARN Cc1nn(CC(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)c(=O)c2ccccc12 ZINC000952863692 1066371177 /nfs/dbraw/zinc/37/11/77/1066371177.db2.gz DZYOJXGDKMPBDQ-HHHXNRCGSA-N 0 0 632.697 1.860 50 0 KDAARN COCCN1CC(=O)N[C@H](C(=O)N2CCC(C(C)(C)O)CC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952863707 1066376245 /nfs/dbraw/zinc/37/62/45/1066376245.db2.gz FEUHKPXZFIHNTB-DQEYMECFSA-N 0 0 574.719 1.122 50 0 KDAARN COc1cc(F)ccc1CN1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(c(OC)c2)OCCn2cc(nn2)CC1 ZINC000952863721 1066381035 /nfs/dbraw/zinc/38/10/35/1066381035.db2.gz CHUCOUQTEXKXDG-JCWMKJMESA-N 0 0 717.799 1.895 50 0 KDAARN CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCOC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863723 1066381203 /nfs/dbraw/zinc/38/12/03/1066381203.db2.gz FOSVGKUCJGUNBJ-DQEYMECFSA-N 0 0 550.612 1.938 50 0 KDAARN COc1ccc(CN(C)C(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)c2cccnc12 ZINC000952863729 1066381187 /nfs/dbraw/zinc/38/11/87/1066381187.db2.gz SAZBWNWARDJXHL-AGAMXPQUSA-N 0 0 672.783 1.958 50 0 KDAARN O=C(CN1CCOCC1)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863753 1066381859 /nfs/dbraw/zinc/38/18/59/1066381859.db2.gz FUHYBDYFXJIZIQ-XTEPFMGCSA-N 0 0 504.587 1.476 50 0 KDAARN Cc1cc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)no1 ZINC000952863755 1066381577 /nfs/dbraw/zinc/38/15/77/1066381577.db2.gz FWJQMPIURGPBSH-SGGJORCASA-N 0 0 673.171 1.522 50 0 KDAARN CCc1ccc(-c2cc(C(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)[nH]n2)cc1 ZINC000952863764 1066381643 /nfs/dbraw/zinc/38/16/43/1066381643.db2.gz CYDBXFJJSXOWOV-LMSSTIIKSA-N 0 0 623.718 1.721 50 0 KDAARN CC(C)[C@H]1NC(=O)CN(Cc2cc(C3CCCCC3)no2)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952863766 1066381877 /nfs/dbraw/zinc/38/18/77/1066381877.db2.gz SLTAZGKJEOUVCH-LDEXYXFOSA-N 0 0 610.756 1.388 50 0 KDAARN CN1CCNC(=O)C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952863772 1066381785 /nfs/dbraw/zinc/38/17/85/1066381785.db2.gz SNDIFASDRUVZNW-HTAPYJJXSA-N 0 0 527.988 1.546 50 0 KDAARN CCN(Cc1ccncc1)C(=O)[C@H]1Cc2ccc(cc2)OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000952863774 1066381551 /nfs/dbraw/zinc/38/15/51/1066381551.db2.gz GGZLRGMVGCVXIU-QCHNSLHVSA-N 0 0 654.768 1.773 50 0 KDAARN CN(C)C(=O)NCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863801 1066381602 /nfs/dbraw/zinc/38/16/02/1066381602.db2.gz GNIKMMWWRVIBJS-RPLLCQBOSA-N 0 0 505.575 1.415 50 0 KDAARN COCCN1CC(=O)N[C@@H](C(=O)NCc2ccc3c(c2)OCO3)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952863806 1066381587 /nfs/dbraw/zinc/38/15/87/1066381587.db2.gz GQLSSAMXXRNFPN-RPWUZVMVSA-N 0 0 582.654 1.157 50 0 KDAARN CCc1cc(C(=O)N2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC2)on1 ZINC000952863808 1066381693 /nfs/dbraw/zinc/38/16/93/1066381693.db2.gz SYKFHXNPDGEDSW-AUUGNALLSA-N 0 0 656.781 1.114 50 0 KDAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863825 1066381962 /nfs/dbraw/zinc/38/19/62/1066381962.db2.gz GHXWFJCQMHISTD-DQEYMECFSA-N 0 0 572.684 1.425 50 0 KDAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)c2nn(C)c3ccccc32)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952863834 1066381562 /nfs/dbraw/zinc/38/15/62/1066381562.db2.gz TWRPVMRPNRZYJQ-TUSQITKMSA-N 0 0 603.724 1.251 50 0 KDAARN C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2cc(C3CC3)n[nH]2)NC1=O ZINC000952863836 1066381930 /nfs/dbraw/zinc/38/19/30/1066381930.db2.gz YRWRETREROJGCK-SUDJGUNESA-N 0 0 669.783 1.589 50 0 KDAARN COc1cccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)c1O ZINC000952863847 1066381712 /nfs/dbraw/zinc/38/17/12/1066381712.db2.gz DFRVWPBCMFVBLX-FCTLNWHPSA-N 0 0 714.220 1.940 50 0 KDAARN CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2scc3c2CCCC3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O ZINC000952863855 1066381912 /nfs/dbraw/zinc/38/19/12/1066381912.db2.gz DILPPRLQASRNNK-LTGPWVLNSA-N 0 0 637.803 1.419 50 0 KDAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccc3c2CCC3=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952863857 1066381628 /nfs/dbraw/zinc/38/16/28/1066381628.db2.gz DIOHLLFZTWCZRQ-PUUVEUEGSA-N 0 0 603.720 1.493 50 0 KDAARN CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@@H]2CN(C(=O)CCCc3cccs3)C[C@@H]2CC1=O ZINC000952863867 1066381894 /nfs/dbraw/zinc/38/18/94/1066381894.db2.gz DKPUEVQMUGTUFN-PGRDOPGGSA-N 0 0 537.646 1.164 50 0 KDAARN Cc1nn(C)c(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1Cl ZINC000952863876 1066381615 /nfs/dbraw/zinc/38/16/15/1066381615.db2.gz ZDDJAKGTQIEAJN-NRFANRHFSA-N 0 0 553.067 1.686 50 0 KDAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3occc3C)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952863907 1066381840 /nfs/dbraw/zinc/38/18/40/1066381840.db2.gz WFVMGPVKQVYXBR-OWNCGHDPSA-N 0 0 668.817 1.432 50 0 KDAARN CSCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952863908 1066381676 /nfs/dbraw/zinc/38/16/76/1066381676.db2.gz JMQMBBAYQYEVBK-WALYIZILSA-N 0 0 658.181 1.085 50 0 KDAARN COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952863923 1066382300 /nfs/dbraw/zinc/38/23/00/1066382300.db2.gz JPZQLWPLOHTJHY-UXJUWBFNSA-N 0 0 649.749 1.123 50 0 KDAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952863933 1066382195 /nfs/dbraw/zinc/38/21/95/1066382195.db2.gz DWJKVPCTTQRQOW-CUBQBAPOSA-N 0 0 631.686 1.348 50 0 KDAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(CC(=O)N2CCCCC2)CCNC1=O ZINC000952863949 1066382143 /nfs/dbraw/zinc/38/21/43/1066382143.db2.gz FARSJFLWFYUWHT-XMMPIXPASA-N 0 0 557.671 1.628 50 0 KDAARN CC(C)C[C@H]1NC(=O)Cc2ccc(cc2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952863951 1066382372 /nfs/dbraw/zinc/38/23/72/1066382372.db2.gz FDGOUIANCZYHHC-JWQCQUIFSA-N 0 0 518.618 1.788 50 0 KDAARN Cc1c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)cnn1-c1ccccn1 ZINC000952863953 1066382253 /nfs/dbraw/zinc/38/22/53/1066382253.db2.gz FEZLWAYRLGGGTK-YGPDHOBYSA-N 0 0 630.750 1.253 50 0 KDAARN CCSCCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863960 1066382462 /nfs/dbraw/zinc/38/24/62/1066382462.db2.gz FFHUQTLKUZMFOX-QFIPXVFZSA-N 0 0 512.680 1.820 50 0 KDAARN Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952863961 1066382270 /nfs/dbraw/zinc/38/22/70/1066382270.db2.gz JWPQFPGYSQBTSO-JSGCOSHPSA-N 0 0 540.890 1.311 50 0 KDAARN O=C(CC1CCCC1)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C1 ZINC000952863965 1066382163 /nfs/dbraw/zinc/38/21/63/1066382163.db2.gz UOQVXMQHJKDIBK-ZSEZPNIJSA-N 0 0 656.784 1.423 50 0 KDAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(C)=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863980 1066382343 /nfs/dbraw/zinc/38/23/43/1066382343.db2.gz WUGSSPNLZNYABS-DEOSSOPVSA-N 0 0 534.617 1.618 50 0 KDAARN COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)c1ccc(C(C)=O)s1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952863982 1066382284 /nfs/dbraw/zinc/38/22/84/1066382284.db2.gz WULIJACGFBAQHX-RFNNPFONSA-N 0 0 731.832 1.651 50 0 KDAARN COc1ccc(C(=O)N2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(OC)c(c3)OCc3cn(nn3)CCC2)o1 ZINC000952863983 1066382420 /nfs/dbraw/zinc/38/24/20/1066382420.db2.gz UUDVXLQYFCYXHU-QPFIFXANSA-N 0 0 697.790 1.920 50 0 KDAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(Cc2cccnc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952863989 1066382434 /nfs/dbraw/zinc/38/24/34/1066382434.db2.gz KKBJNFXGLYLGPA-HDXYBINASA-N 0 0 609.731 1.797 50 0 KDAARN COCCN1CC(=O)N[C@H](C(=O)N(C)C2CCCCC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952863990 1066382406 /nfs/dbraw/zinc/38/24/06/1066382406.db2.gz UVQYUILTDGGTGL-DQEYMECFSA-N 0 0 544.693 1.903 50 0 KDAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCc1ccncc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952863999 1066382314 /nfs/dbraw/zinc/38/23/14/1066382314.db2.gz KCNCOWSXUFHNLC-LXJPPPMVSA-N 0 0 710.873 1.676 50 0 KDAARN CCOc1ccc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1OCC ZINC000952864003 1066382389 /nfs/dbraw/zinc/38/23/89/1066382389.db2.gz HGYMWQPHZJOTNU-NZQKXSOJSA-N 0 0 577.642 1.191 50 0 KDAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCCn1cnnn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864013 1066382357 /nfs/dbraw/zinc/38/23/57/1066382357.db2.gz WZADVCXMPLAHJP-SANMLTNESA-N 0 0 630.710 1.065 50 0 KDAARN CCC(CC)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C1 ZINC000952864018 1066382179 /nfs/dbraw/zinc/38/21/79/1066382179.db2.gz KGVVDLGHYDJIPP-XIIJWGSISA-N 0 0 644.773 1.279 50 0 KDAARN CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2cccc(OC(F)F)c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O ZINC000952864025 1066382449 /nfs/dbraw/zinc/38/24/49/1066382449.db2.gz KKCNBPJASBNEIE-YICKXDIBSA-N 0 0 643.688 1.080 50 0 KDAARN CN1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCCOc1cc(Cl)ccc1C(=O)N2 ZINC000952864040 1066382713 /nfs/dbraw/zinc/38/27/13/1066382713.db2.gz KQVJWGQTDUVMCH-OYDLWJJNSA-N 0 0 566.062 1.560 50 0 KDAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952864042 1066382814 /nfs/dbraw/zinc/38/28/14/1066382814.db2.gz XEGMDHOKBVFRRD-BEXBOKMPSA-N 0 0 687.798 1.662 50 0 KDAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2c(F)cccc2F)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952864047 1066382755 /nfs/dbraw/zinc/38/27/55/1066382755.db2.gz KTGWXANCZADHOZ-XVQWFWDQSA-N 0 0 673.758 1.841 50 0 KDAARN COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC2=O ZINC000952864051 1066382829 /nfs/dbraw/zinc/38/28/29/1066382829.db2.gz KVGYCMDNMMHRGZ-DHIUTWEWSA-N 0 0 566.684 1.965 50 0 KDAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3cnnn3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864053 1066382662 /nfs/dbraw/zinc/38/26/62/1066382662.db2.gz KUPWKISJFGZSSK-BJKOFHAPSA-N 0 0 549.588 1.252 50 0 KDAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)CCn1nc(C)cc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952864061 1066382684 /nfs/dbraw/zinc/38/26/84/1066382684.db2.gz HXJUYMOTGKPNIA-RZZNCETPSA-N 0 0 723.876 1.908 50 0 KDAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)C1CCC1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952864062 1066382632 /nfs/dbraw/zinc/38/26/32/1066382632.db2.gz XOXHABDCVVKOQF-XUHJDFEOSA-N 0 0 659.825 1.448 50 0 KDAARN COCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(ccc3OC)C(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952864082 1066382770 /nfs/dbraw/zinc/38/27/70/1066382770.db2.gz XRTPIWWXVVXFIJ-GOTSBHOMSA-N 0 0 541.601 1.574 50 0 KDAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952864085 1066382698 /nfs/dbraw/zinc/38/26/98/1066382698.db2.gz ICUZWRLDAOFJGZ-AGAMXPQUSA-N 0 0 660.772 1.186 50 0 KDAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3scc4c3OCCO4)C[C@@H]1NC2=O ZINC000952864089 1066382868 /nfs/dbraw/zinc/38/28/68/1066382868.db2.gz LAPODOSDLCOLLS-LPHOPBHVSA-N 0 0 527.559 1.352 50 0 KDAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)Cc1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952864096 1066382727 /nfs/dbraw/zinc/38/27/27/1066382727.db2.gz LFVQMVHJPHGNAI-MCKSPXCPSA-N 0 0 696.846 1.286 50 0 KDAARN COc1ccc(OC)c(CC(=O)N2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC2)c1 ZINC000952864097 1066382901 /nfs/dbraw/zinc/38/29/01/1066382901.db2.gz LGJJAKWVSXOESA-BXMJOFTNSA-N 0 0 711.857 1.509 50 0 KDAARN Cc1ncsc1CCCNC(=O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000952864114 1066382801 /nfs/dbraw/zinc/38/28/01/1066382801.db2.gz XXVQSUXWLLIZEX-JXHHNEAKSA-N 0 0 674.824 1.843 50 0 KDAARN Cc1ncsc1CCC(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(O)cc(c2)C(=O)NCCC1 ZINC000952864117 1066382848 /nfs/dbraw/zinc/38/28/48/1066382848.db2.gz XZRUAAJYTCYVTB-IBGZPJMESA-N 0 0 559.689 1.874 50 0 KDAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cc(C(C)C)nc(N)n2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952864122 1066382919 /nfs/dbraw/zinc/38/29/19/1066382919.db2.gz LMLYVFLTERHEPJ-VDALTMKYSA-N 0 0 696.850 1.059 50 0 KDAARN COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)CCc1c(C)noc1C)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952864129 1066382676 /nfs/dbraw/zinc/38/26/76/1066382676.db2.gz LMFJHUPGQRWJCY-JCWMKJMESA-N 0 0 730.823 1.311 50 0 KDAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)Cn1nc3ccccc3n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952864149 1066382647 /nfs/dbraw/zinc/38/26/47/1066382647.db2.gz YDRCODOSYYNWRW-RKBFCLKKSA-N 0 0 736.871 1.093 50 0 KDAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)C2C(C)(C)C2(C)C)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952864152 1066382882 /nfs/dbraw/zinc/38/28/82/1066382882.db2.gz MARXHSQXHZKXIM-PMVMPFDFSA-N 0 0 569.747 1.732 50 0 KDAARN COc1ccc(F)c(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1 ZINC000952864153 1066382784 /nfs/dbraw/zinc/38/27/84/1066382784.db2.gz LSGVVFXHDWLSOJ-IZZNHLLZSA-N 0 0 563.634 1.276 50 0 KDAARN O=C(CN1CC(=O)NC1=O)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864167 1066383461 /nfs/dbraw/zinc/38/34/61/1066383461.db2.gz LYHAUXFTYXAKKR-LSYYVWMOSA-N 0 0 541.568 1.371 50 0 KDAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)COc2cccc(Cl)c2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952864175 1066383222 /nfs/dbraw/zinc/38/32/22/1066383222.db2.gz MBOBONMLEJMZOA-YRMGXDARSA-N 0 0 608.099 1.651 50 0 KDAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952864177 1066383316 /nfs/dbraw/zinc/38/33/16/1066383316.db2.gz MHQXXHBBVOFTCP-GASGPIRDSA-N 0 0 686.810 1.865 50 0 KDAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952864178 1066383232 /nfs/dbraw/zinc/38/32/32/1066383232.db2.gz MIJKLPPFOXEHFQ-FZAOUCEASA-N 0 0 719.840 1.659 50 0 KDAARN CCc1nc(C)c(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C2)[nH]1 ZINC000952864183 1066383396 /nfs/dbraw/zinc/38/33/96/1066383396.db2.gz YNYMOBZWCSBUTD-OIFPXGRLSA-N 0 0 640.789 1.996 50 0 KDAARN COc1cc2c(cc1CN1CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C1)CCC2 ZINC000952864189 1066383415 /nfs/dbraw/zinc/38/34/15/1066383415.db2.gz YPMUNSCALBRDOS-WUFINQPMSA-N 0 0 585.709 1.626 50 0 KDAARN CC(C)[C@@H]1NC(=O)C(C)(C)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](C)NC1=O ZINC000952864202 1066383165 /nfs/dbraw/zinc/38/31/65/1066383165.db2.gz MQRAWCXWHPJYET-QRWLVFNGSA-N 0 0 548.044 1.184 50 0 KDAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccncc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952864203 1066383332 /nfs/dbraw/zinc/38/33/32/1066383332.db2.gz YTXCLJFIEMJWLT-RNHDNODOSA-N 0 0 682.819 1.357 50 0 KDAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCc3[nH]nc4c3CCCC4)C[C@@H]1NC2=O ZINC000952864205 1066383182 /nfs/dbraw/zinc/38/31/82/1066383182.db2.gz YUYDXHREAXGKEL-DHLKQENFSA-N 0 0 535.605 1.440 50 0 KDAARN COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O ZINC000952864217 1066383261 /nfs/dbraw/zinc/38/32/61/1066383261.db2.gz MZXXTIVONKKAGK-KJQJYJGISA-N 0 0 644.733 1.854 50 0 KDAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)C(C)(C)OC)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952864219 1066383379 /nfs/dbraw/zinc/38/33/79/1066383379.db2.gz MHBYMUIKBVIYEU-SYQUUIDJSA-N 0 0 693.842 1.648 50 0 KDAARN O=C(CCc1nc2ccccc2s1)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952864229 1066383093 /nfs/dbraw/zinc/38/30/93/1066383093.db2.gz MJZDOTPKDGYJDE-LOSJGSFVSA-N 0 0 614.732 1.698 50 0 KDAARN Cc1ccn2cc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cn4nn3)nc2c1 ZINC000952864241 1066383303 /nfs/dbraw/zinc/38/33/03/1066383303.db2.gz NEPBLXFZGMULIT-STMVPXLDSA-N 0 0 597.680 1.188 50 0 KDAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(S(=O)(=O)c3cc(C)sc3C)C[C@@H]1NC2=O ZINC000952864245 1066383369 /nfs/dbraw/zinc/38/33/69/1066383369.db2.gz NEPYXCBYZNBVMA-RXVVDRJESA-N 0 0 533.632 1.746 50 0 KDAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)CC(C)(C)C)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864248 1066383351 /nfs/dbraw/zinc/38/33/51/1066383351.db2.gz ZKQYUTJLBZHSIP-YWSWAUPDSA-N 0 0 658.866 1.653 50 0 KDAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864251 1066383346 /nfs/dbraw/zinc/38/33/46/1066383346.db2.gz ZMDRKPNGPLRLCN-FCHUYYIVSA-N 0 0 549.584 1.027 50 0 KDAARN COCCN1CC(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864261 1066383204 /nfs/dbraw/zinc/38/32/04/1066383204.db2.gz NKUJOUGBYDCPEH-DHLKQENFSA-N 0 0 540.617 1.080 50 0 KDAARN CN1CC(=O)N[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864271 1066383829 /nfs/dbraw/zinc/38/38/29/1066383829.db2.gz JRSWLTXKNSESQX-LOSJGSFVSA-N 0 0 591.665 1.816 50 0 KDAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3nn(C)c4ccccc43)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952864276 1066383903 /nfs/dbraw/zinc/38/39/03/1066383903.db2.gz NOGBHPBJNHLKHX-FDDCHVKYSA-N 0 0 572.626 1.658 50 0 KDAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)n1 ZINC000952864302 1066383934 /nfs/dbraw/zinc/38/39/34/1066383934.db2.gz ZSVMPBBHLIBDES-JVGMMHMTSA-N 0 0 675.709 1.219 50 0 KDAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2ccc[nH]2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952864309 1066383729 /nfs/dbraw/zinc/38/37/29/1066383729.db2.gz NSQHTFJGORKUDF-XDFJSJKPSA-N 0 0 654.772 1.911 50 0 KDAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cc4c(nc3OC)CCC4)C[C@@H]1NC2=O ZINC000952864310 1066383714 /nfs/dbraw/zinc/38/37/14/1066383714.db2.gz ZWFAZLCQEWKVPL-URXFXBBRSA-N 0 0 534.573 1.411 50 0 KDAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)Cn3nccn3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952864312 1066383853 /nfs/dbraw/zinc/38/38/53/1066383853.db2.gz NURHZUKHFIMSGV-AHKZPQOWSA-N 0 0 500.559 1.777 50 0 KDAARN O=C(Cn1ncc2ccccc21)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864315 1066383877 /nfs/dbraw/zinc/38/38/77/1066383877.db2.gz 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CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)C(C)C)CCNC1=O ZINC000952864338 1066383656 /nfs/dbraw/zinc/38/36/56/1066383656.db2.gz OWCRZFCZLJORMJ-ZOSUSCCZSA-N 0 0 634.178 1.568 50 0 KDAARN CC(C)c1cc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)on1 ZINC000952864352 1066383702 /nfs/dbraw/zinc/38/37/02/1066383702.db2.gz UYZUQUYIYBMAMA-SFHVURJKSA-N 0 0 543.621 1.902 50 0 KDAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(C)on1)CCCNC(=O)CC2 ZINC000952864361 1066384400 /nfs/dbraw/zinc/38/44/00/1066384400.db2.gz FUYOEZSSAPWPIP-FQEVSTJZSA-N 0 0 557.648 1.709 50 0 KDAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CN3CCOCC3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952864367 1066384512 /nfs/dbraw/zinc/38/45/12/1066384512.db2.gz FWFNPPUGGLLEMN-LMSSTIIKSA-N 0 0 518.614 1.818 50 0 KDAARN CCn1nccc1S(=O)(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952864375 1066384373 /nfs/dbraw/zinc/38/43/73/1066384373.db2.gz FYNWDOXLFAIBEN-ICSRJNTNSA-N 0 0 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