smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000033315591 966406390 /nfs/dbraw/zinc/40/63/90/966406390.db2.gz JHWQIFSIDOJZBH-FOWTUZBSSA-N 0 0 422.535 3.528 50 10 HHCARN CC(NC[C@@H]1CCCO1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000101153023 969195530 /nfs/dbraw/zinc/19/55/30/969195530.db2.gz QORQLDIKYBSIEC-IWQAVIMZSA-N 0 0 410.421 3.604 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)c4ccccc4)o3)CC2)cc1 ZINC000009693850 132342685 /nfs/dbraw/zinc/34/26/85/132342685.db2.gz LRAWCMONDASGRH-SSEXGKCCSA-N 0 0 424.522 3.558 50 10 HHCARN Cc1ccc2c(c1)C(=O)N(CCC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000010962675 132346964 /nfs/dbraw/zinc/34/69/64/132346964.db2.gz WWQYTNSOWJTBKU-UHFFFAOYSA-N 0 0 419.525 3.630 50 10 HHCARN COc1ccc(N2CCN(C(=O)C[C@H](c3cccc(OC)c3)n3cccc3)CC2)cc1 ZINC000020998505 132471911 /nfs/dbraw/zinc/47/19/11/132471911.db2.gz ASGLTBNOXGHJFA-XMMPIXPASA-N 0 0 419.525 3.834 50 10 HHCARN CCN(CC)S(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ccccc43)CC2)nc1 ZINC000024527583 132483498 /nfs/dbraw/zinc/48/34/98/132483498.db2.gz OZVVUIUPHUFZRA-UHFFFAOYSA-N 0 0 410.543 3.887 50 10 HHCARN CCOC(=O)C1C(CN(C)c2ccc(OCC)cc2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560330 520507929 /nfs/dbraw/zinc/50/79/29/520507929.db2.gz MXYOLGUJOSIMQH-QFIPXVFZSA-N 0 0 423.513 3.701 50 10 HHCARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000004675898 534536149 /nfs/dbraw/zinc/53/61/49/534536149.db2.gz GVAACIGLIPUGQQ-UHFFFAOYSA-N 0 0 402.447 3.831 50 10 HHCARN COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1O ZINC000000910909 522311045 /nfs/dbraw/zinc/31/10/45/522311045.db2.gz UVRCFBAJGFSBNA-UHFFFAOYSA-N 0 0 414.417 3.984 50 10 HHCARN CCn1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000033155152 523302860 /nfs/dbraw/zinc/30/28/60/523302860.db2.gz IBMWXWYTCIQTPI-HKWRFOASSA-N 0 0 417.465 3.686 50 10 HHCARN COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nc(C)cs1 ZINC000044085970 523387774 /nfs/dbraw/zinc/38/77/74/523387774.db2.gz GXKVXMDELMVAFW-UHFFFAOYSA-N 0 0 416.528 3.527 50 10 HHCARN Cc1oc2nc(C)nc(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c2c1C ZINC000032960183 526789941 /nfs/dbraw/zinc/78/99/41/526789941.db2.gz KUYDANOIIMNRBD-UHFFFAOYSA-N 0 0 421.545 3.747 50 10 HHCARN O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000020178049 527129005 /nfs/dbraw/zinc/12/90/05/527129005.db2.gz JWMCVLMRWAUUKO-UHFFFAOYSA-N 0 0 400.453 3.922 50 10 HHCARN CCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737980 535520415 /nfs/dbraw/zinc/52/04/15/535520415.db2.gz GHYBYNXLAZBLHO-UHFFFAOYSA-N 0 0 405.454 3.814 50 10 HHCARN COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1O)N(C(C)=O)CC2 ZINC000000756371 557076928 /nfs/dbraw/zinc/07/69/28/557076928.db2.gz ZTMCRWWNUVNGBH-LJQANCHMSA-N 0 0 406.276 3.666 50 10 HHCARN O=C1c2ccccc2C(=O)C1(c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000000838867 557097084 /nfs/dbraw/zinc/09/70/84/557097084.db2.gz BMIHEQNPPNUPGK-IBGZPJMESA-N 0 0 415.401 3.793 50 10 HHCARN CN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)C(=O)N(C)C1=O ZINC000000911157 557116359 /nfs/dbraw/zinc/11/63/59/557116359.db2.gz QWKVCIXABPDEHH-UHFFFAOYSA-N 0 0 420.465 3.637 50 10 HHCARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O ZINC000000981610 557130710 /nfs/dbraw/zinc/13/07/10/557130710.db2.gz ZKLGUTFXKPKTQT-ZDLGFXPLSA-N 0 0 414.483 3.702 50 10 HHCARN COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1 ZINC000001152398 557211942 /nfs/dbraw/zinc/21/19/42/557211942.db2.gz RUIZDWPMDDZXNB-XSFVSMFZSA-N 0 0 410.495 3.577 50 10 HHCARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 ZINC000001192071 557236805 /nfs/dbraw/zinc/23/68/05/557236805.db2.gz HAOZGAHRNIGLPB-GOSISDBHSA-N 0 0 400.935 3.838 50 10 HHCARN CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O ZINC000002520580 557354313 /nfs/dbraw/zinc/35/43/13/557354313.db2.gz RJZLKVMBWRZONA-POKNLVKOSA-N 0 0 402.545 3.516 50 10 HHCARN CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1 ZINC000004997656 557622978 /nfs/dbraw/zinc/62/29/78/557622978.db2.gz BFGFNKJQXUMVDP-UHFFFAOYSA-N 0 0 407.562 3.827 50 10 HHCARN CCN1C(=O)/C(=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)SC1=S ZINC000006470630 557703965 /nfs/dbraw/zinc/70/39/65/557703965.db2.gz RSGRMMDNTJGMDZ-SFQUDFHCSA-N 0 0 419.549 3.984 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000022664837 557713631 /nfs/dbraw/zinc/71/36/31/557713631.db2.gz YDYGTBWPELXOQL-XMMPIXPASA-N 0 0 403.526 3.709 50 10 HHCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546845 557824033 /nfs/dbraw/zinc/82/40/33/557824033.db2.gz KYPZNYQKXAMDOM-LAUBAEHRSA-N 0 0 401.576 3.781 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1cccnc1 ZINC000019800783 558285559 /nfs/dbraw/zinc/28/55/59/558285559.db2.gz QRCFJGBBYVJWBL-NTUHNPAUSA-N 0 0 410.307 3.935 50 10 HHCARN COc1ccc(-c2noc(C3C(C)=NC(=S)N[C@@H]3c3ccc(N(C)C)cc3)n2)cc1 ZINC000020745518 558410252 /nfs/dbraw/zinc/41/02/52/558410252.db2.gz HORYQYUDNFEEEQ-LJQANCHMSA-N 0 0 421.526 3.761 50 10 HHCARN COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000012629203 558441069 /nfs/dbraw/zinc/44/10/69/558441069.db2.gz ZWWAFBQHVMIWPQ-GJXXPDGXSA-N 0 0 419.462 4.000 50 10 HHCARN CCOc1ccc(S(=O)(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1OCC ZINC000022287310 558476527 /nfs/dbraw/zinc/47/65/27/558476527.db2.gz QOAYCDFOFYJMLZ-UHFFFAOYSA-N 0 0 406.548 3.761 50 10 HHCARN O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000013511886 558535620 /nfs/dbraw/zinc/53/56/20/558535620.db2.gz VKBZZMLZXPNZHY-OQLLNIDSSA-N 0 0 423.391 3.584 50 10 HHCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O ZINC000013576678 558543613 /nfs/dbraw/zinc/54/36/13/558543613.db2.gz UGRUUXWCKGCZIU-ATVHPVEESA-N 0 0 414.508 3.631 50 10 HHCARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(OC)c1O ZINC000013638467 558555018 /nfs/dbraw/zinc/55/50/18/558555018.db2.gz BDRYFZNXAARWKH-PQNHFCOQSA-N 0 0 407.451 3.714 50 10 HHCARN COc1ccc2cc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)c(=O)[nH]c2c1 ZINC000013729345 558585842 /nfs/dbraw/zinc/58/58/42/558585842.db2.gz BXCOKTVVWWMZFS-RQZCQDPDSA-N 0 0 410.476 3.648 50 10 HHCARN Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013748533 558589136 /nfs/dbraw/zinc/58/91/36/558589136.db2.gz BYRHOXHIOMQHLO-ODLFYWEKSA-N 0 0 401.422 3.920 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000013748335 558589238 /nfs/dbraw/zinc/58/92/38/558589238.db2.gz KIHRHSSYRGCVSY-NVMNQCDNSA-N 0 0 415.492 3.834 50 10 HHCARN CCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC ZINC000013800689 558594508 /nfs/dbraw/zinc/59/45/08/558594508.db2.gz LAFBKUGLPHGJCQ-ACIMENLPSA-N 0 0 404.532 3.954 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c(OC)c1 ZINC000013804410 558594990 /nfs/dbraw/zinc/59/49/90/558594990.db2.gz PTALYMQBTYTZMQ-YVLHZVERSA-N 0 0 414.508 3.558 50 10 HHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000027016974 558668310 /nfs/dbraw/zinc/66/83/10/558668310.db2.gz SHGAJLFHMJUABG-AQTBWJFISA-N 0 0 422.535 3.903 50 10 HHCARN O=C(Nc1ccccc1Cn1cccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072270537 558673258 /nfs/dbraw/zinc/67/32/58/558673258.db2.gz VXZIGIUQFZBQDC-HXUWFJFHSA-N 0 0 406.486 3.850 50 10 HHCARN CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000027662891 558678397 /nfs/dbraw/zinc/67/83/97/558678397.db2.gz LFUJDIBEYVPDBD-PWRODBHTSA-N 0 0 418.603 3.507 50 10 HHCARN CCN(CC)c1ccc(CN(C(=O)c2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027745100 558680982 /nfs/dbraw/zinc/68/09/82/558680982.db2.gz OHRJEELQIJHJHM-QFIPXVFZSA-N 0 0 414.571 3.671 50 10 HHCARN CN(C)c1ccc([C@H](C(=O)NC(c2ccccc2)c2ccccc2)N2CCC2=O)cc1 ZINC000004551039 558684055 /nfs/dbraw/zinc/68/40/55/558684055.db2.gz VNFDRANKAWHZGX-RUZDIDTESA-N 0 0 413.521 3.932 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000016135070 558773386 /nfs/dbraw/zinc/77/33/86/558773386.db2.gz ILYRXYGYHWGTRA-UHFFFAOYSA-N 0 0 406.526 3.633 50 10 HHCARN CS(=O)(=O)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000016193054 558777418 /nfs/dbraw/zinc/77/74/18/558777418.db2.gz XQBDWLKSJHRVFJ-GDNBJRDFSA-N 0 0 409.485 3.570 50 10 HHCARN COc1ccc(CCNC(=O)c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OC ZINC000004623126 558885394 /nfs/dbraw/zinc/88/53/94/558885394.db2.gz WJUROSCRSWWXPT-UHFFFAOYSA-N 0 0 418.453 3.517 50 10 HHCARN COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1Br ZINC000058322861 558919463 /nfs/dbraw/zinc/91/94/63/558919463.db2.gz NCHXBRCZYIKARB-UHFFFAOYSA-N 0 0 419.319 3.779 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000004824210 559152748 /nfs/dbraw/zinc/15/27/48/559152748.db2.gz YHDPYTUKLZFKKJ-UHFFFAOYSA-N 0 0 417.421 3.739 50 10 HHCARN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 ZINC000005013449 559228157 /nfs/dbraw/zinc/22/81/57/559228157.db2.gz ISRSMHPNVPIDMV-JGBPVPSRSA-N 0 0 419.437 3.603 50 10 HHCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=N)S1 ZINC000005562128 560618531 /nfs/dbraw/zinc/61/85/31/560618531.db2.gz MLYIOYSIVIZIGE-UJTIYTRRSA-N 0 0 416.503 3.768 50 10 HHCARN CSc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000048988622 568444044 /nfs/dbraw/zinc/44/40/44/568444044.db2.gz BECAXIYFACZNAF-UHFFFAOYSA-N 0 0 418.515 3.937 50 10 HHCARN O=C(C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 ZINC000049003929 568446592 /nfs/dbraw/zinc/44/65/92/568446592.db2.gz LEBQWELKSFXHHX-UHFFFAOYSA-N 0 0 404.438 3.744 50 10 HHCARN COc1cc(OC)c(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br ZINC000000709401 568463587 /nfs/dbraw/zinc/46/35/87/568463587.db2.gz GTRCWNLHSUECIS-UHFFFAOYSA-N 0 0 411.248 3.610 50 10 HHCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(C(=O)N2CCOCC2)cc1 ZINC000095471471 568626585 /nfs/dbraw/zinc/62/65/85/568626585.db2.gz TUAZILMVTKLMEA-ZHZULCJRSA-N 0 0 424.888 3.531 50 10 HHCARN COc1ccc(N2CCN(c3nnc(-n4nc(C)cc4C)c4ccccc43)CC2)cc1 ZINC000021034381 568659820 /nfs/dbraw/zinc/65/98/20/568659820.db2.gz DGFNBQDZWFNVHF-UHFFFAOYSA-N 0 0 414.513 3.768 50 10 HHCARN Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1-c1ccccc1F ZINC000002646831 568795336 /nfs/dbraw/zinc/79/53/36/568795336.db2.gz OOYMVXZSSQKEIG-UHFFFAOYSA-N 0 0 423.473 3.890 50 10 HHCARN COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C)cc3)c3ccco3)CC2)cc1 ZINC000056946271 568821997 /nfs/dbraw/zinc/82/19/97/568821997.db2.gz LZGPWCWRCDURLP-QHCPKHFHSA-N 0 0 419.525 3.890 50 10 HHCARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000012534781 568844862 /nfs/dbraw/zinc/84/48/62/568844862.db2.gz RZIXPEWPXNKPEH-UHFFFAOYSA-N 0 0 424.526 3.846 50 10 HHCARN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000057548192 568852742 /nfs/dbraw/zinc/85/27/42/568852742.db2.gz WIOVUJGXHJIMSS-FQEVSTJZSA-N 0 0 422.573 3.835 50 10 HHCARN CCc1c(C)c2ccc([O-])c(C[NH+]3CCN(c4ccc(OC)cc4)CC3)c2oc1=O ZINC000058104629 568886370 /nfs/dbraw/zinc/88/63/70/568886370.db2.gz DHKDBAMRIWJWBX-UHFFFAOYSA-N 0 0 408.498 3.700 50 10 HHCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O ZINC000001241734 568907723 /nfs/dbraw/zinc/90/77/23/568907723.db2.gz WEOWSWSJFZXHHT-CAOOACKPSA-N 0 0 401.465 3.925 50 10 HHCARN C[C@@]12CC(=O)N[C@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1O)C2 ZINC000004108708 568909703 /nfs/dbraw/zinc/90/97/03/568909703.db2.gz DOQSYCNJTJREJJ-RYGJVYDSSA-N 0 0 404.388 3.851 50 10 HHCARN COc1ccccc1C(=O)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001298946 568913060 /nfs/dbraw/zinc/91/30/60/568913060.db2.gz OEBNWNRHWPGSRX-YVLHZVERSA-N 0 0 409.492 3.723 50 10 HHCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCC(C)CC2)C1=O ZINC000004263395 568955907 /nfs/dbraw/zinc/95/59/07/568955907.db2.gz ZQZHNDYNPSKETR-LGMDPLHJSA-N 0 0 404.557 3.545 50 10 HHCARN COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000038588973 569002124 /nfs/dbraw/zinc/00/21/24/569002124.db2.gz XBRNNHVGYWKOMJ-UHFFFAOYSA-N 0 0 422.451 3.658 50 10 HHCARN COCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001783261 569052900 /nfs/dbraw/zinc/05/29/00/569052900.db2.gz XBZRKSCQYOSCKH-IGWPVBGESA-N 0 0 401.509 3.619 50 10 HHCARN CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000064847127 569108322 /nfs/dbraw/zinc/10/83/22/569108322.db2.gz DGEGDKWIHHMXPI-UHFFFAOYSA-N 0 0 400.567 3.513 50 10 HHCARN COC(=O)C1=CN(c2cccc(F)c2)c2cc(Br)ccc2S1(=O)=O ZINC000064979276 569140941 /nfs/dbraw/zinc/14/09/41/569140941.db2.gz NSVZMLXFWMJCBK-UHFFFAOYSA-N 0 0 412.236 3.528 50 10 HHCARN COc1ccc(N2CCN(c3ncncc3-c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000169775539 569172155 /nfs/dbraw/zinc/17/21/55/569172155.db2.gz KQKGZHZCLSFOPU-UHFFFAOYSA-N 0 0 414.469 3.529 50 10 HHCARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O ZINC000036413003 569177524 /nfs/dbraw/zinc/17/75/24/569177524.db2.gz RWEMWKNEQKMNIE-HUUCEWRRSA-N 0 0 419.503 3.894 50 10 HHCARN COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298160 569219177 /nfs/dbraw/zinc/21/91/77/569219177.db2.gz SBGUOAJBIJEMKV-NRFANRHFSA-N 0 0 407.514 3.572 50 10 biogenic HHCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000007423349 569237786 /nfs/dbraw/zinc/23/77/86/569237786.db2.gz LRMQAGIVTHLDRG-UHFFFAOYSA-N 0 0 415.902 3.878 50 10 HHCARN COC(=O)[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1O ZINC000170600549 569242918 /nfs/dbraw/zinc/24/29/18/569242918.db2.gz LUMIVYSLJWLAQM-JOCHJYFZSA-N 0 0 405.450 3.529 50 10 HHCARN COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 ZINC000170623282 569249665 /nfs/dbraw/zinc/24/96/65/569249665.db2.gz HJYITRBKEYURFG-SNVBAGLBSA-N 0 0 404.829 3.573 50 10 HHCARN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 ZINC000252537641 569293132 /nfs/dbraw/zinc/29/31/32/569293132.db2.gz LXRFCARZLWLFKT-LPHOPBHVSA-N 0 0 417.981 3.841 50 10 HHCARN CC1=NN2C(=NC(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=N)S1 ZINC000008722144 571107264 /nfs/dbraw/zinc/10/72/64/571107264.db2.gz CIGMBGHJYUTIOI-LVKBRKGQSA-N 0 0 421.438 3.813 50 10 HHCARN CN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)NC1=S ZINC000009295876 571245812 /nfs/dbraw/zinc/24/58/12/571245812.db2.gz CXELUGRZBVQDQA-DHDCSXOGSA-N 0 0 421.291 3.855 50 10 HHCARN Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009411685 571255969 /nfs/dbraw/zinc/25/59/69/571255969.db2.gz MGNKSLOVPSGFSJ-UHFFFAOYSA-N 0 0 419.412 3.555 50 10 HHCARN CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3O)=NN12 ZINC000010213965 571296665 /nfs/dbraw/zinc/29/66/65/571296665.db2.gz ZPRPAUOHKIPZGU-LJQANCHMSA-N 0 0 411.889 3.928 50 10 HHCARN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1CCN1CCOCC1 ZINC000014187268 962442727 /nfs/dbraw/zinc/44/27/27/962442727.db2.gz HTCXQTBDMYWNRY-SILNSSARSA-N 0 0 410.564 3.887 50 10 HHCARN C[C@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000096862956 969052908 /nfs/dbraw/zinc/05/29/08/969052908.db2.gz CUKIATURLOPKNW-NYHXXUGCSA-N 0 0 415.401 3.639 50 10 HHCARN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000686189 132230856 /nfs/dbraw/zinc/23/08/56/132230856.db2.gz YBNHXTYCMKBXPC-DEDYPNTBSA-N 0 0 416.506 3.629 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cccc(Cn4cc(Cl)cn4)c3)CC2)cc1 ZINC000001142408 132238959 /nfs/dbraw/zinc/23/89/59/132238959.db2.gz SJTATABLRGYRKY-UHFFFAOYSA-N 0 0 410.905 3.556 50 10 HHCARN COc1cc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)ccc1O ZINC000001264128 132243495 /nfs/dbraw/zinc/24/34/95/132243495.db2.gz ZGKPIKRLSRTZPA-ZHZULCJRSA-N 0 0 409.511 3.502 50 10 HHCARN COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Br)cc3)CC2)cc1 ZINC000002850350 132258521 /nfs/dbraw/zinc/25/85/21/132258521.db2.gz VCMGSNWEVCPETG-OAHLLOKOSA-N 0 0 419.319 3.574 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccc(OCC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000004758000 132287783 /nfs/dbraw/zinc/28/77/83/132287783.db2.gz JOXNAQLBBWKFSG-UHFFFAOYSA-N 0 0 413.474 3.601 50 10 HHCARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1O ZINC000012633030 132365451 /nfs/dbraw/zinc/36/54/51/132365451.db2.gz DFZNYSZZLIGUHP-JOCHJYFZSA-N 0 0 404.422 3.943 50 10 HHCARN CCc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2nc1CC ZINC000021653408 132472780 /nfs/dbraw/zinc/47/27/80/132472780.db2.gz PXSAKBNEZLAVQU-UHFFFAOYSA-N 0 0 404.514 3.726 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 ZINC000032722610 522171045 /nfs/dbraw/zinc/17/10/45/522171045.db2.gz NBAGXJZWVOZRJT-OAQYLSRUSA-N 0 0 421.566 3.814 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000032870460 523266307 /nfs/dbraw/zinc/26/63/07/523266307.db2.gz NHTRWGOJKRINGB-UHFFFAOYSA-N 0 0 423.435 3.763 50 10 HHCARN COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2c2cc(O)c(O)c(OC)c2)cc1 ZINC000012545546 536664573 /nfs/dbraw/zinc/66/45/73/536664573.db2.gz QPZQKOMZHNTXPZ-JOCHJYFZSA-N 0 0 406.438 3.910 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C(C)C)CC2)cc1 ZINC000015727951 536691412 /nfs/dbraw/zinc/69/14/12/536691412.db2.gz JSFPECXFCOZXGU-UHFFFAOYSA-N 0 0 421.497 3.998 50 10 HHCARN COC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CCCC2 ZINC000000917007 557117519 /nfs/dbraw/zinc/11/75/19/557117519.db2.gz GVDPWHIYVXEPJS-OAHLLOKOSA-N 0 0 416.524 3.855 50 10 HHCARN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000001089930 557177286 /nfs/dbraw/zinc/17/72/86/557177286.db2.gz OTKYFZZFKBYAES-XNTDXEJSSA-N 0 0 404.900 3.895 50 10 HHCARN CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)cc1 ZINC000001148867 557209658 /nfs/dbraw/zinc/20/96/58/557209658.db2.gz GSIJDNLJXPDXKZ-SFHVURJKSA-N 0 0 422.348 3.626 50 10 HHCARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 ZINC000001189089 557235593 /nfs/dbraw/zinc/23/55/93/557235593.db2.gz XIWBDZMJZBNFHY-SFHVURJKSA-N 0 0 400.935 3.838 50 10 HHCARN CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000001228291 557249117 /nfs/dbraw/zinc/24/91/17/557249117.db2.gz SMWDTDWXBYGOTR-WJDWOHSUSA-N 0 0 417.943 3.952 50 10 HHCARN CC1(C)OC(=O)C(C=Nc2nc(-c3ccc(Br)cc3)cs2)C(=O)O1 ZINC000002543400 557355750 /nfs/dbraw/zinc/35/57/50/557355750.db2.gz YYUBEDOGQDAMOD-UHFFFAOYSA-N 0 0 409.261 3.705 50 10 HHCARN Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 ZINC000004746503 557592130 /nfs/dbraw/zinc/59/21/30/557592130.db2.gz KIQKTHCYRAGMNQ-DHZHZOJOSA-N 0 0 410.571 3.528 50 10 HHCARN CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NC1=S ZINC000005879172 557678799 /nfs/dbraw/zinc/67/87/99/557678799.db2.gz VCKOEYXFULCWCC-DEDYPNTBSA-N 0 0 402.475 3.675 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000022664842 557713585 /nfs/dbraw/zinc/71/35/85/557713585.db2.gz YDYGTBWPELXOQL-DEOSSOPVSA-N 0 0 403.526 3.709 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000022665198 557713783 /nfs/dbraw/zinc/71/37/83/557713783.db2.gz CFGXFEUHAYDEAR-RUZDIDTESA-N 0 0 420.601 3.922 50 10 HHCARN COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O ZINC000008664053 557799266 /nfs/dbraw/zinc/79/92/66/557799266.db2.gz IPCIQUOLZIKGAF-YBFXNURJSA-N 0 0 421.478 3.852 50 10 HHCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008743124 557804195 /nfs/dbraw/zinc/80/41/95/557804195.db2.gz GNVZSEFBOCCFRW-UHFFFAOYSA-N 0 0 404.289 3.611 50 10 HHCARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 ZINC000009529677 557845140 /nfs/dbraw/zinc/84/51/40/557845140.db2.gz GPTWLABAXMSRFN-LJQANCHMSA-N 0 0 408.893 3.925 50 10 HHCARN O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000019899300 558304791 /nfs/dbraw/zinc/30/47/91/558304791.db2.gz FCRLKXCNUXGKRV-UHFFFAOYSA-N 0 0 409.711 3.766 50 10 HHCARN CCCCCCN1C(=O)[N-]C(=O)C(=CNC2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019949840 558314748 /nfs/dbraw/zinc/31/47/48/558314748.db2.gz MLVMSAHZSBXQGQ-SILNSSARSA-N 0 0 412.534 3.624 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000022024049 558458748 /nfs/dbraw/zinc/45/87/48/558458748.db2.gz MRETXDYDEGHHKV-UHFFFAOYSA-N 0 0 412.511 3.592 50 10 HHCARN Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000023128347 558536422 /nfs/dbraw/zinc/53/64/22/558536422.db2.gz DUJPRNPICIVYJK-RIYZIHGNSA-N 0 0 423.279 3.837 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(OC)c1 ZINC000013714204 558577959 /nfs/dbraw/zinc/57/79/59/558577959.db2.gz YFSHYIYTUDTDBL-LSCVHKIXSA-N 0 0 415.492 3.834 50 10 HHCARN CCCC[N@H+](CC)Cc1c(=O)n(C(=O)c2ccc(C)cc2)[n-]c1-c1ccccc1O ZINC000025585276 558644902 /nfs/dbraw/zinc/64/49/02/558644902.db2.gz RIAXRFLQRQLAQH-HXUWFJFHSA-N 0 0 407.514 3.826 50 10 HHCARN CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 ZINC000027022036 558668646 /nfs/dbraw/zinc/66/86/46/558668646.db2.gz YGFSWKOFIXLTBF-RWVXMSMHSA-N 0 0 408.552 3.777 50 10 HHCARN CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000027662887 558678354 /nfs/dbraw/zinc/67/83/54/558678354.db2.gz LFUJDIBEYVPDBD-HBMCJLEFSA-N 0 0 418.603 3.507 50 10 HHCARN COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000015360387 558735909 /nfs/dbraw/zinc/73/59/09/558735909.db2.gz HGWHJNSUFUWZEQ-UHFFFAOYSA-N 0 0 404.532 3.515 50 10 HHCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc(O)cc1O ZINC000058378084 558923024 /nfs/dbraw/zinc/92/30/24/558923024.db2.gz PVJRKJHQCDWSAE-UHFFFAOYSA-N 0 0 412.467 3.727 50 10 HHCARN CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)cc2)CC1 ZINC000058407009 558924717 /nfs/dbraw/zinc/92/47/17/558924717.db2.gz YZVUDAXGEMZHIG-HDICACEKSA-N 0 0 424.520 3.955 50 10 HHCARN CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)CC1 ZINC000058407010 558924721 /nfs/dbraw/zinc/92/47/21/558924721.db2.gz YZVUDAXGEMZHIG-ROUUACIJSA-N 0 0 424.520 3.955 50 10 HHCARN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNc1ccc(C)cc1 ZINC000101373194 559146672 /nfs/dbraw/zinc/14/66/72/559146672.db2.gz SGYMNXRSPTYGPV-QINSGFPZSA-N 0 0 406.467 3.866 50 10 HHCARN C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004834518 559165345 /nfs/dbraw/zinc/16/53/45/559165345.db2.gz GVKQGIGRSGXMHH-CYBMUJFWSA-N 0 0 400.390 3.861 50 10 HHCARN CC[C@@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S ZINC000005065993 559239844 /nfs/dbraw/zinc/23/98/44/559239844.db2.gz FMSRQOQKPJSPAG-NWFCWYBLSA-N 0 0 416.572 3.762 50 10 HHCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCCC1=CCCCC1 ZINC000005517185 560604597 /nfs/dbraw/zinc/60/45/97/560604597.db2.gz HWWGJJWHZPPPNC-UHFFFAOYSA-N 0 0 417.461 3.626 50 10 HHCARN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001172519 560727622 /nfs/dbraw/zinc/72/76/22/560727622.db2.gz LWANHCJEZFRBHD-UHFFFAOYSA-N 0 0 417.830 3.582 50 10 HHCARN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=[NH+]C1=C2C(=O)c3ccccc3C(=O)C2CC=C1 ZINC000101125473 560788162 /nfs/dbraw/zinc/78/81/62/560788162.db2.gz IRGZZJWBKWVKPF-ACXWWXGRSA-N 0 0 423.472 3.956 50 10 HHCARN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101997222 560806928 /nfs/dbraw/zinc/80/69/28/560806928.db2.gz DGHHDANZEPTKRU-DNVJHFABSA-N 0 0 413.477 3.804 50 10 HHCARN COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCC(C)C)[C@H]3C2)cc1 ZINC000096457155 560849685 /nfs/dbraw/zinc/84/96/85/560849685.db2.gz VNMJMUAWVGHPQQ-LADGPHEKSA-N 0 0 407.558 3.725 50 10 HHCARN Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1C ZINC000048988582 568444062 /nfs/dbraw/zinc/44/40/62/568444062.db2.gz DCSUHPDSRNKZRX-UHFFFAOYSA-N 0 0 400.475 3.832 50 10 HHCARN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000000849755 568711141 /nfs/dbraw/zinc/71/11/41/568711141.db2.gz QLLLVDZPFDUZJY-YVLHZVERSA-N 0 0 413.271 3.717 50 10 HHCARN CC(C)c1nc2cc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000096363665 568739453 /nfs/dbraw/zinc/73/94/53/568739453.db2.gz PAEHPCBWHLLPNZ-UHFFFAOYSA-N 0 0 406.530 3.772 50 10 HHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)CC1 ZINC000001184449 568822286 /nfs/dbraw/zinc/82/22/86/568822286.db2.gz GRZYKPWXXSCZEH-PTNGSMBKSA-N 0 0 423.332 3.695 50 10 HHCARN CN(C)c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1Br ZINC000001185344 568822465 /nfs/dbraw/zinc/82/24/65/568822465.db2.gz ANYHCQZCVODSBX-UHFFFAOYSA-N 0 0 402.244 3.697 50 10 HHCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000001247515 568908644 /nfs/dbraw/zinc/90/86/44/568908644.db2.gz PBJXRSZZFWDKOJ-IUXPMGMMSA-N 0 0 401.465 3.838 50 10 HHCARN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1-c1ccccn1 ZINC000084081372 568936321 /nfs/dbraw/zinc/93/63/21/568936321.db2.gz ZWDHBPXGOHIXBS-UHFFFAOYSA-N 0 0 422.504 3.519 50 10 HHCARN COc1ccc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC ZINC000004178617 568949077 /nfs/dbraw/zinc/94/90/77/568949077.db2.gz FPQMBKIKCICAPW-UHFFFAOYSA-N 0 0 401.418 3.660 50 10 biogenic HHCARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O ZINC000001452231 568986662 /nfs/dbraw/zinc/98/66/62/568986662.db2.gz NXUFJTNIYCUFRY-GZTJUZNOSA-N 0 0 414.508 3.646 50 10 HHCARN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c2oc1=O ZINC000085875423 569009545 /nfs/dbraw/zinc/00/95/45/569009545.db2.gz IUHARTVWJBCXCE-QGZVFWFLSA-N 0 0 407.466 3.512 50 10 biogenic HHCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1O ZINC000015837867 569013715 /nfs/dbraw/zinc/01/37/15/569013715.db2.gz KJUVYHCZUVEAJK-HUHIGAQKSA-N 0 0 406.467 3.767 50 10 HHCARN O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1ccc(F)cc1 ZINC000009704984 569039232 /nfs/dbraw/zinc/03/92/32/569039232.db2.gz ADROACPTVFNJIY-NVNXTCNLSA-N 0 0 422.890 3.985 50 10 HHCARN CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 ZINC000001737072 569041666 /nfs/dbraw/zinc/04/16/66/569041666.db2.gz YFOONXZDOABPCZ-XFFZJAGNSA-N 0 0 424.960 3.594 50 10 HHCARN CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O ZINC000006324180 569043278 /nfs/dbraw/zinc/04/32/78/569043278.db2.gz RAAOZLXXUQGQLT-NWFCWYBLSA-N 0 0 416.572 3.825 50 10 HHCARN CCCCOC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001766830 569052229 /nfs/dbraw/zinc/05/22/29/569052229.db2.gz JDAYXBOYCGUCPG-LCYFTJDESA-N 0 0 414.346 3.994 50 10 HHCARN Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(C)cc1 ZINC000006546645 569064802 /nfs/dbraw/zinc/06/48/02/569064802.db2.gz JRUCDGBNKLOONR-HSZRJFAPSA-N 0 0 405.450 3.968 50 10 HHCARN COc1ccc(N2CCN(CC(=O)c3c(C)n(C)c4ccc(OC)cc43)CC2)cc1 ZINC000036006143 569076003 /nfs/dbraw/zinc/07/60/03/569076003.db2.gz WYMPVWNBHNYEBE-UHFFFAOYSA-N 0 0 407.514 3.509 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000006831458 569147555 /nfs/dbraw/zinc/14/75/55/569147555.db2.gz VPNBLGHCWQYYMO-UHFFFAOYSA-N 0 0 410.426 3.510 50 10 HHCARN COc1cccc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000006882047 569168138 /nfs/dbraw/zinc/16/81/38/569168138.db2.gz VPZPUFFZPJUKLI-UHFFFAOYSA-N 0 0 414.461 3.541 50 10 HHCARN Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C ZINC000006886377 569169599 /nfs/dbraw/zinc/16/95/99/569169599.db2.gz XQHXKEAOROBTSY-UHFFFAOYSA-N 0 0 413.429 3.874 50 10 HHCARN O=c1cc2nc(-c3ccco3)nc(SCc3cccc(Br)c3)n2[nH]1 ZINC000006915841 569181002 /nfs/dbraw/zinc/18/10/02/569181002.db2.gz JHQOCSXUDQAFFI-UHFFFAOYSA-N 0 0 403.261 3.732 50 10 HHCARN O=C(Cc1cccn1-c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000065170743 569189173 /nfs/dbraw/zinc/18/91/73/569189173.db2.gz FGEHIIJSWOLHMG-UHFFFAOYSA-N 0 0 409.917 3.826 50 10 HHCARN CCCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729661 569212196 /nfs/dbraw/zinc/21/21/96/569212196.db2.gz CLZROTDGFBWIRR-AEFFLSMTSA-N 0 0 420.509 3.622 50 10 HHCARN CCCCN1C(=O)[C@@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O ZINC000238937264 569228534 /nfs/dbraw/zinc/22/85/34/569228534.db2.gz UUVFPIFGOGYEQR-BHIFYINESA-N 0 0 407.514 3.708 50 10 HHCARN COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 ZINC000170623281 569249642 /nfs/dbraw/zinc/24/96/42/569249642.db2.gz HJYITRBKEYURFG-JTQLQIEISA-N 0 0 404.829 3.573 50 10 HHCARN CN1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S ZINC000002383547 569391486 /nfs/dbraw/zinc/39/14/86/569391486.db2.gz SNDWOCOUFPWKAY-LFIBNONCSA-N 0 0 411.914 4.000 50 10 HHCARN CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccs3)N3CCCCC3)ccc21 ZINC000008800165 571120552 /nfs/dbraw/zinc/12/05/52/571120552.db2.gz RBSLAMZDKPSISC-HXUWFJFHSA-N 0 0 419.616 3.636 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000009310629 571247142 /nfs/dbraw/zinc/24/71/42/571247142.db2.gz DHSHIKUVFACDCR-NTEUORMPSA-N 0 0 403.441 3.622 50 10 HHCARN COCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000005864928 960792039 /nfs/dbraw/zinc/79/20/39/960792039.db2.gz HXVWXMZNFNTZMU-RCCKNPSSSA-N 0 0 407.466 3.585 50 10 HHCARN C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000008231428 961483115 /nfs/dbraw/zinc/48/31/15/961483115.db2.gz CUKIATURLOPKNW-GCZGRYASSA-N 0 0 415.401 3.639 50 10 HHCARN CC(C)CN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S ZINC000012946482 962351343 /nfs/dbraw/zinc/35/13/43/962351343.db2.gz NZAFRXPQKGEYGK-LDADJPATSA-N 0 0 413.568 3.929 50 10 HHCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1F ZINC000016247243 962989675 /nfs/dbraw/zinc/98/96/75/962989675.db2.gz YVBIZZWMMPUZBK-YBEGLDIGSA-N 0 0 403.456 3.932 50 10 HHCARN CC(C)c1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3)NC2=S)cc1 ZINC000102912785 132227602 /nfs/dbraw/zinc/22/76/02/132227602.db2.gz VLCAGSRLDBUBLB-QNGOZBTKSA-N 0 0 407.539 3.909 50 10 HHCARN CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 ZINC000002403408 132254059 /nfs/dbraw/zinc/25/40/59/132254059.db2.gz OLSVCQDBDIAWBU-HMMYKYKNSA-N 0 0 410.518 3.684 50 10 HHCARN Nc1ccccc1NC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000005557348 132306825 /nfs/dbraw/zinc/30/68/25/132306825.db2.gz DMAZZTJDLGXUER-UHFFFAOYSA-N 0 0 414.490 3.930 50 10 HHCARN CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007885104 132326220 /nfs/dbraw/zinc/32/62/20/132326220.db2.gz OCAPDHLMPMVDBW-HSZRJFAPSA-N 0 0 417.465 3.615 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000012555397 132363644 /nfs/dbraw/zinc/36/36/44/132363644.db2.gz BJHUBQMNUARKSB-UHFFFAOYSA-N 0 0 415.342 3.651 50 10 HHCARN CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000015769095 132462491 /nfs/dbraw/zinc/46/24/91/132462491.db2.gz QROMKFCVHAQBCE-JXAWBTAJSA-N 0 0 404.495 3.939 50 10 HHCARN CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 ZINC000007572347 535692981 /nfs/dbraw/zinc/69/29/81/535692981.db2.gz IKDRODYKNKAYIT-UHFFFAOYSA-N 0 0 407.470 3.711 50 10 HHCARN COc1ccc(N2CCN(C3(c4ccccc4)C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000020177977 536692361 /nfs/dbraw/zinc/69/23/61/536692361.db2.gz JXOJZTPDJHXCDK-UHFFFAOYSA-N 0 0 412.489 3.792 50 10 HHCARN COc1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000003355105 536700325 /nfs/dbraw/zinc/70/03/25/536700325.db2.gz LNRXXLMVQODWAB-UHFFFAOYSA-N 0 0 401.315 3.513 50 10 HHCARN CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N(C)C1=O ZINC000001034720 557149684 /nfs/dbraw/zinc/14/96/84/557149684.db2.gz YXKHJADNCJVNDW-UHFFFAOYSA-N 0 0 420.856 3.627 50 10 HHCARN CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O ZINC000001118149 557188695 /nfs/dbraw/zinc/18/86/95/557188695.db2.gz XZJAOKLLNXVSER-RVDMUPIBSA-N 0 0 414.556 3.579 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1O ZINC000001186316 557234193 /nfs/dbraw/zinc/23/41/93/557234193.db2.gz CGTFAXZBDUKFNC-DHDCSXOGSA-N 0 0 404.900 3.886 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Br ZINC000001210491 557243061 /nfs/dbraw/zinc/24/30/61/557243061.db2.gz BISMKFKDBKNOAU-UVTDQMKNSA-N 0 0 419.325 3.995 50 10 HHCARN CCOC(=O)c1sc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)nc1C ZINC000001744727 557284280 /nfs/dbraw/zinc/28/42/80/557284280.db2.gz KMNWPTXGQVVUFY-UHFFFAOYSA-N 0 0 422.462 3.946 50 10 HHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(Br)c3)S2)CC1 ZINC000002825624 557396899 /nfs/dbraw/zinc/39/68/99/557396899.db2.gz USDNVPLJONURQX-PTNGSMBKSA-N 0 0 423.332 3.695 50 10 HHCARN Cc1ccc(OCCOCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000002962259 557431610 /nfs/dbraw/zinc/43/16/10/557431610.db2.gz PZVXYWFFYNEMLN-XMHGGMMESA-N 0 0 415.536 3.958 50 10 HHCARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000004687735 557581171 /nfs/dbraw/zinc/58/11/71/557581171.db2.gz UWTXWSWANXZJKK-RQZCQDPDSA-N 0 0 402.447 3.833 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccccc1 ZINC000004860535 557607537 /nfs/dbraw/zinc/60/75/37/557607537.db2.gz OJTICTILRRCXHC-DTQAZKPQSA-N 0 0 402.566 3.698 50 10 HHCARN CCCCN1c2ccccc2/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)C1=O ZINC000006042634 557685012 /nfs/dbraw/zinc/68/50/12/557685012.db2.gz JPRPKAWEGMOTJY-VLUKHXRESA-N 0 0 402.541 3.584 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N2CCN(c3ccccc3)CC2)cc1 ZINC000022665424 557714992 /nfs/dbraw/zinc/71/49/92/557714992.db2.gz DADRMUXWYIULAN-HSZRJFAPSA-N 0 0 418.541 3.639 50 10 HHCARN COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000002682716 557739959 /nfs/dbraw/zinc/73/99/59/557739959.db2.gz QRUXWACKLNKTBN-VBKFSLOCSA-N 0 0 403.481 3.737 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1Cl ZINC000009012726 557819064 /nfs/dbraw/zinc/81/90/64/557819064.db2.gz HNMXQYYOCJSENB-NTEUORMPSA-N 0 0 419.871 3.794 50 10 HHCARN O=C(NC1(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 ZINC000020223539 558349059 /nfs/dbraw/zinc/34/90/59/558349059.db2.gz YSOWAGDWIIPYCQ-UHFFFAOYSA-N 0 0 416.399 3.697 50 10 HHCARN CCn1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)n1 ZINC000020607880 558388750 /nfs/dbraw/zinc/38/87/50/558388750.db2.gz SEJRZEWHVHVDRN-WQRHYEAKSA-N 0 0 417.556 3.673 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc(OC)c1OC ZINC000013482126 558534146 /nfs/dbraw/zinc/53/41/46/558534146.db2.gz BZRKCCCJQGQZNS-WJDWOHSUSA-N 0 0 402.497 3.941 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2nonc21 ZINC000013575243 558543476 /nfs/dbraw/zinc/54/34/76/558543476.db2.gz PHSVEFCRNVNMGD-UKTHLTGXSA-N 0 0 416.509 3.514 50 10 HHCARN Cc1cc(C(=O)CN(C)S(=O)(=O)c2cccs2)c(C)n1-c1ccccc1F ZINC000023658354 558566144 /nfs/dbraw/zinc/56/61/44/558566144.db2.gz ONXUJCLIGNJQDC-UHFFFAOYSA-N 0 0 406.504 3.798 50 10 HHCARN COc1ccc(Br)cc1/C=C1\SC(N2C[C@@H](C)O[C@@H](C)C2)=NC1=O ZINC000013784873 558593130 /nfs/dbraw/zinc/59/31/30/558593130.db2.gz LZWXPMSBQBHKEF-FQQAPMKESA-N 0 0 411.321 3.537 50 10 HHCARN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 ZINC000024634066 558605751 /nfs/dbraw/zinc/60/57/51/558605751.db2.gz WWIJQYQUBRICSB-UHFFFAOYSA-N 0 0 424.932 3.943 50 10 HHCARN N=C1/C(=C\c2cccc(Br)c2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000004489107 558610800 /nfs/dbraw/zinc/61/08/00/558610800.db2.gz PCNHHIPPKZCPFK-REBVZNNKSA-N 0 0 403.183 3.631 50 10 HHCARN COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1 ZINC000027157266 558670255 /nfs/dbraw/zinc/67/02/55/558670255.db2.gz IEHAWRBBMYZYFQ-XMMPIXPASA-N 0 0 423.557 3.911 50 10 HHCARN COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000015013191 558701082 /nfs/dbraw/zinc/70/10/82/558701082.db2.gz TXWCEJITOOAKND-KGENOOAVSA-N 0 0 415.449 3.978 50 10 HHCARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCC)c2O)N3)C1 ZINC000004554826 558704559 /nfs/dbraw/zinc/70/45/59/558704559.db2.gz GBWYURVTVRUBTM-KRWDZBQOSA-N 0 0 417.487 3.796 50 10 HHCARN Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1C ZINC000004562017 558732324 /nfs/dbraw/zinc/73/23/24/558732324.db2.gz RZBYAMABKUIMIN-UHFFFAOYSA-N 0 0 401.466 3.740 50 10 HHCARN Cc1cccc(Cn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 ZINC000032980964 558757811 /nfs/dbraw/zinc/75/78/11/558757811.db2.gz BGGLEZGIKMZFCU-ZKEXVTLTSA-N 0 0 418.526 3.517 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1cccnc1 ZINC000033286027 558765115 /nfs/dbraw/zinc/76/51/15/558765115.db2.gz TZWWNLUOUARQEO-AWNIVKPZSA-N 0 0 410.307 3.935 50 10 HHCARN CN(Cc1nnc(SCCOc2ccccc2)n1C)Cc1cc(Cl)ccc1O ZINC000055284204 558878541 /nfs/dbraw/zinc/87/85/41/558878541.db2.gz FJYMPFXPYRCKFE-UHFFFAOYSA-N 0 0 418.950 3.977 50 10 HHCARN COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)cc1 ZINC000058172426 558908334 /nfs/dbraw/zinc/90/83/34/558908334.db2.gz VECUZRMZYHRBSQ-UHFFFAOYSA-N 0 0 422.573 3.836 50 10 HHCARN CCOc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1O ZINC000004825882 559154438 /nfs/dbraw/zinc/15/44/38/559154438.db2.gz WPFJYGCOXXVITC-AQINLTQESA-N 0 0 404.517 3.757 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000005024919 559229997 /nfs/dbraw/zinc/22/99/97/559229997.db2.gz KIRXWYRUEVSFTD-DHDCSXOGSA-N 0 0 403.441 3.537 50 10 HHCARN N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000005185549 559290632 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Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccccc1 ZINC000008131324 568975525 /nfs/dbraw/zinc/97/55/25/568975525.db2.gz MYUGICUAHJSUMS-VWLOTQADSA-N 0 0 413.477 3.670 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000008405565 569001296 /nfs/dbraw/zinc/00/12/96/569001296.db2.gz WDKPHAMLUJZRCC-SIKLNZKXSA-N 0 0 408.498 3.562 50 10 HHCARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1C ZINC000012933377 569025653 /nfs/dbraw/zinc/02/56/53/569025653.db2.gz WUQFLZNEOUYSDV-UHFFFAOYSA-N 0 0 416.952 3.746 50 10 HHCARN COc1cc(C=C2SC(N)=NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006229888 569033602 /nfs/dbraw/zinc/03/36/02/569033602.db2.gz VLUZLCHLMIAEFH-QGMBQPNBSA-N 0 0 412.511 3.746 50 10 HHCARN CCc1nnc(-c2cn(CC(=O)NCc3ccc(N(C)C)cc3)c3ccccc23)o1 ZINC000035423062 569036321 /nfs/dbraw/zinc/03/63/21/569036321.db2.gz SKFPQMACUSLJPQ-UHFFFAOYSA-N 0 0 403.486 3.636 50 10 HHCARN CN1CCCc2cc(CNC(=O)COc3ccc(Oc4ccccn4)cc3)ccc21 ZINC000089382505 569058895 /nfs/dbraw/zinc/05/88/95/569058895.db2.gz QXCJBOPTYSNJRA-UHFFFAOYSA-N 0 0 403.482 3.952 50 10 HHCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=N)S1 ZINC000006635041 569076410 /nfs/dbraw/zinc/07/64/10/569076410.db2.gz IEVOJGMWTUBUMN-LIFNGZQPSA-N 0 0 402.476 3.522 50 10 HHCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 ZINC000169689630 569135975 /nfs/dbraw/zinc/13/59/75/569135975.db2.gz FYLKWTHBHOBRNP-WOIUINJBSA-N 0 0 405.454 3.894 50 10 HHCARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)c2cc(F)ccc2S1(=O)=O ZINC000064979218 569140908 /nfs/dbraw/zinc/14/09/08/569140908.db2.gz FBILDNWLIOCFCN-UHFFFAOYSA-N 0 0 401.337 3.784 50 10 HHCARN COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)co3)CC2)cc1 ZINC000036358643 569150214 /nfs/dbraw/zinc/15/02/14/569150214.db2.gz KODBTHQNELFQQT-UHFFFAOYSA-N 0 0 424.472 3.689 50 10 HHCARN COc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1 ZINC000065096232 569176664 /nfs/dbraw/zinc/17/66/64/569176664.db2.gz ZZITYDVXOSNFAF-UHFFFAOYSA-N 0 0 412.511 3.721 50 10 HHCARN O=C(C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 ZINC000065096278 569176762 /nfs/dbraw/zinc/17/67/62/569176762.db2.gz OZDOVHCNKJTTPH-UHFFFAOYSA-N 0 0 406.866 3.868 50 10 HHCARN COc1ccc(OC)c(CC(=O)Oc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000007039726 569209514 /nfs/dbraw/zinc/20/95/14/569209514.db2.gz CDLKVTIXRNFOKN-UHFFFAOYSA-N 0 0 402.402 3.627 50 10 HHCARN COc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298314 569219281 /nfs/dbraw/zinc/21/92/81/569219281.db2.gz XGFHQYVSMUMPRR-QFIPXVFZSA-N 0 0 421.541 3.880 50 10 biogenic HHCARN C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000065476824 569231653 /nfs/dbraw/zinc/23/16/53/569231653.db2.gz QPISGSYTUISCKR-MRXNPFEDSA-N 0 0 408.527 3.862 50 10 HHCARN COc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc2ccccc21 ZINC000065551679 569235155 /nfs/dbraw/zinc/23/51/55/569235155.db2.gz PUTKVQZQDGHFET-HOTGVXAUSA-N 0 0 423.488 3.926 50 10 HHCARN COC(=O)[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1O ZINC000170600550 569242991 /nfs/dbraw/zinc/24/29/91/569242991.db2.gz LUMIVYSLJWLAQM-QFIPXVFZSA-N 0 0 405.450 3.529 50 10 HHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccccc1C ZINC000004590048 569255528 /nfs/dbraw/zinc/25/55/28/569255528.db2.gz VVSYWPIMIJDPBY-PDGQHHTCSA-N 0 0 401.509 3.950 50 10 HHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Br)s1 ZINC000014099565 569258489 /nfs/dbraw/zinc/25/84/89/569258489.db2.gz PVVDGBJNMGZPOK-UHFFFAOYSA-N 0 0 403.367 3.787 50 10 HHCARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000013940132 569422987 /nfs/dbraw/zinc/42/29/87/569422987.db2.gz KRPXZCQUJFZWJG-WJDWOHSUSA-N 0 0 405.522 3.594 50 10 HHCARN Cc1cc(C(=O)COC(=O)CN2CCSC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000008720554 571107003 /nfs/dbraw/zinc/10/70/03/571107003.db2.gz AOISCYINPBXKAZ-UHFFFAOYSA-N 0 0 424.881 3.781 50 10 HHCARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)s1 ZINC000008801637 571120731 /nfs/dbraw/zinc/12/07/31/571120731.db2.gz GUZFGCYFCFWNQM-HXUWFJFHSA-N 0 0 419.616 3.554 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2cccc(Cl)c2)cc1 ZINC000008846132 571125805 /nfs/dbraw/zinc/12/58/05/571125805.db2.gz IQQAXHSLBRTFMN-NRFANRHFSA-N 0 0 402.922 3.993 50 10 HHCARN Cc1ccc(C)n1-c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000040158055 571204798 /nfs/dbraw/zinc/20/47/98/571204798.db2.gz SFTQLTGGVUCCSA-FQEVSTJZSA-N 0 0 405.498 3.856 50 10 HHCARN CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000009527503 571266162 /nfs/dbraw/zinc/26/61/62/571266162.db2.gz KTJJFOIORFHPFL-UHFFFAOYSA-N 0 0 415.490 3.670 50 10 HHCARN Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000009864684 571288907 /nfs/dbraw/zinc/28/89/07/571288907.db2.gz PKDAADCMKKJYTA-GOSISDBHSA-N 0 0 411.531 3.543 50 10 HHCARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 ZINC000012564961 962293718 /nfs/dbraw/zinc/29/37/18/962293718.db2.gz REXIMCUCKCNBOV-UDFXALJUSA-N 0 0 403.526 3.519 50 10 HHCARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1CCCN1CCOCC1 ZINC000014198039 962442399 /nfs/dbraw/zinc/44/23/99/962442399.db2.gz GGADGVRTWGJSIF-QINSGFPZSA-N 0 0 416.490 3.629 50 10 HHCARN CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000033897331 966414526 /nfs/dbraw/zinc/41/45/26/966414526.db2.gz AFPVIZYHBLNPKV-FOWTUZBSSA-N 0 0 422.535 3.528 50 10 HHCARN CC(NC[C@H]1CCCO1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000101153025 969195597 /nfs/dbraw/zinc/19/55/97/969195597.db2.gz QORQLDIKYBSIEC-ZTMOJVSCSA-N 0 0 410.421 3.604 50 10 HHCARN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](c3noc(-c4cnccn4)n3)C2)cc1 ZINC000169773377 970477273 /nfs/dbraw/zinc/47/72/73/970477273.db2.gz SWPNOBZIJNHZCZ-GOSISDBHSA-N 0 0 414.469 3.564 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCc2ccccc21 ZINC000002594615 132255651 /nfs/dbraw/zinc/25/56/51/132255651.db2.gz NMHBFVWUUJBMIG-WJDWOHSUSA-N 0 0 400.550 3.929 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3oc4=O)CC2)cc1 ZINC000002941657 132260331 /nfs/dbraw/zinc/26/03/31/132260331.db2.gz MVGHGUJUGQJDKG-UHFFFAOYSA-N 0 0 420.490 3.979 50 10 HHCARN Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3c1C(=O)c1ccccc1C3=O)CCC2 ZINC000004694480 132283676 /nfs/dbraw/zinc/28/36/76/132283676.db2.gz MKKMLGDXURQHCB-UHFFFAOYSA-N 0 0 417.486 3.912 50 10 HHCARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000004704797 132284235 /nfs/dbraw/zinc/28/42/35/132284235.db2.gz ZQPSJYBGMNXCNQ-RCCKNPSSSA-N 0 0 418.497 3.517 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)cc1 ZINC000006702806 132313283 /nfs/dbraw/zinc/31/32/83/132313283.db2.gz JGDZBCYFPJWGBO-UHFFFAOYSA-N 0 0 419.481 3.811 50 10 HHCARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000006814253 132317852 /nfs/dbraw/zinc/31/78/52/132317852.db2.gz ZQPSJYBGMNXCNQ-QNGOZBTKSA-N 0 0 418.497 3.517 50 10 HHCARN CCCN1C(=O)/C(=C\c2ccc(Br)o2)C(=O)N(c2ccccc2)C1=S ZINC000009934532 132344189 /nfs/dbraw/zinc/34/41/89/132344189.db2.gz GDDFZRLYRZEXEH-SDNWHVSQSA-N 0 0 419.300 3.996 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)c1ccco1 ZINC000010907052 132346720 /nfs/dbraw/zinc/34/67/20/132346720.db2.gz MQTKNFVTOQDABA-UHFFFAOYSA-N 0 0 419.481 3.641 50 10 HHCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)CC1 ZINC000012378260 132359239 /nfs/dbraw/zinc/35/92/39/132359239.db2.gz NVJUCETYJREHJB-LTGZKZEYSA-N 0 0 406.555 3.854 50 10 HHCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000000631977 557027039 /nfs/dbraw/zinc/02/70/39/557027039.db2.gz BXLPIOFHCIVFLX-UHFFFAOYSA-N 0 0 403.507 3.846 50 10 HHCARN O=C1N=C(Nc2ccc(O)cc2)SC1=C1C(=O)Nc2ccc(Br)cc21 ZINC000000944794 557122475 /nfs/dbraw/zinc/12/24/75/557122475.db2.gz YPGNQEYURCOWNC-BUHFOSPRSA-N 0 0 416.256 3.559 50 10 HHCARN CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000002279685 557334125 /nfs/dbraw/zinc/33/41/25/557334125.db2.gz GAIXJLZZQNGFAZ-QGOAFFKASA-N 0 0 410.930 3.865 50 10 HHCARN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCCCc3ccccc3)ccc21 ZINC000004091488 557512832 /nfs/dbraw/zinc/51/28/32/557512832.db2.gz NKLUETGFUZBUNQ-UHFFFAOYSA-N 0 0 419.502 3.763 50 10 biogenic HHCARN COc1ccc(Br)cc1/C=C1/SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O ZINC000004754800 557593322 /nfs/dbraw/zinc/59/33/22/557593322.db2.gz LZWXPMSBQBHKEF-HUMSFLDHSA-N 0 0 411.321 3.537 50 10 HHCARN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccccc1F ZINC000004951691 557616580 /nfs/dbraw/zinc/61/65/80/557616580.db2.gz GKHPNOPXJNXXHN-GIDUJCDVSA-N 0 0 404.400 3.868 50 10 HHCARN CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000022665789 557715295 /nfs/dbraw/zinc/71/52/95/557715295.db2.gz ZXRKICSMZINUJP-QHCPKHFHSA-N 0 0 412.553 3.527 50 10 HHCARN CN1CCc2cc([C@@H](CNC(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 ZINC000022733506 557807454 /nfs/dbraw/zinc/80/74/54/557807454.db2.gz LKQLXEOSYDAWDZ-RUZDIDTESA-N 0 0 415.537 3.635 50 10 HHCARN CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)NC1=S ZINC000009295899 557835095 /nfs/dbraw/zinc/83/50/95/557835095.db2.gz ZADWKTJGIRGMQP-DHDCSXOGSA-N 0 0 421.291 3.855 50 10 HHCARN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)s1 ZINC000010113597 557855809 /nfs/dbraw/zinc/85/58/09/557855809.db2.gz BJTZJRGBGGZCKS-UHFFFAOYSA-N 0 0 401.351 3.589 50 10 HHCARN Cc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000020356280 558357380 /nfs/dbraw/zinc/35/73/80/558357380.db2.gz BCMQKDOWQPZBGZ-ZKEXVTLTSA-N 0 0 418.526 3.767 50 10 HHCARN CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 ZINC000013543745 558537665 /nfs/dbraw/zinc/53/76/65/558537665.db2.gz JWOUQMGCYIWFOC-PTNGSMBKSA-N 0 0 401.513 3.775 50 10 HHCARN COc1ccc2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)[nH]c2c1 ZINC000013729166 558585655 /nfs/dbraw/zinc/58/56/55/558585655.db2.gz FYBJUXVCAOBWGV-VCHYOVAHSA-N 0 0 408.504 3.938 50 10 HHCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2Cl)C1=O ZINC000013787603 558593770 /nfs/dbraw/zinc/59/37/70/558593770.db2.gz MOWZGRUMZNEARW-GDNBJRDFSA-N 0 0 404.900 3.895 50 10 HHCARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000014244863 558646067 /nfs/dbraw/zinc/64/60/67/558646067.db2.gz PXZOPNLJBUOOSL-UHFFFAOYSA-N 0 0 422.959 3.767 50 10 HHCARN COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(C(=O)c4ccco4)CC3)c2)c1 ZINC000014997711 558696645 /nfs/dbraw/zinc/69/66/45/558696645.db2.gz LQANMNURUMQTLY-UHFFFAOYSA-N 0 0 422.481 3.627 50 10 HHCARN CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 ZINC000015746315 558751364 /nfs/dbraw/zinc/75/13/64/558751364.db2.gz HHZKSFDEOVINOY-KAMYIIQDSA-N 0 0 403.554 3.936 50 10 HHCARN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000072303723 558756486 /nfs/dbraw/zinc/75/64/86/558756486.db2.gz SFQHLFGKKMLIHH-UHFFFAOYSA-N 0 0 412.486 3.548 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC ZINC000016193339 558777411 /nfs/dbraw/zinc/77/74/11/558777411.db2.gz VIGDOZXVCPVAPB-MFOYZWKCSA-N 0 0 415.492 3.834 50 10 HHCARN CS(=O)(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000016193132 558777462 /nfs/dbraw/zinc/77/74/62/558777462.db2.gz DOWAGHQAMHGBQF-GDNBJRDFSA-N 0 0 409.485 3.570 50 10 HHCARN CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000035092912 558788525 /nfs/dbraw/zinc/78/85/25/558788525.db2.gz LFUJDIBEYVPDBD-HKBOAZHASA-N 0 0 418.603 3.507 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccnc1 ZINC000037865601 558809548 /nfs/dbraw/zinc/80/95/48/558809548.db2.gz NGKWEFLVNDHHLM-XNTDXEJSSA-N 0 0 403.916 3.965 50 10 HHCARN COc1ccc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)[nH]c2c1 ZINC000058419131 558925632 /nfs/dbraw/zinc/92/56/32/558925632.db2.gz BLIKYILLDULHBF-GASCZTMLSA-N 0 0 411.477 3.859 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C)nn4)cc3)CC2)cc1 ZINC000072446698 558982430 /nfs/dbraw/zinc/98/24/30/558982430.db2.gz CORBBHPTYDRCQC-UHFFFAOYSA-N 0 0 404.470 3.548 50 10 HHCARN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)COc2ccccc2)cc1 ZINC000014610806 559171071 /nfs/dbraw/zinc/17/10/71/559171071.db2.gz PHWFIHLGJQBNIO-UHFFFAOYSA-N 0 0 417.469 3.935 50 10 HHCARN CC(NCc1ccc2c(c1)OCO2)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100422850 559199531 /nfs/dbraw/zinc/19/95/31/559199531.db2.gz KBBUPOWVJAGDRQ-UNOMPAQXSA-N 0 0 406.467 3.811 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000005017703 559228686 /nfs/dbraw/zinc/22/86/86/559228686.db2.gz JAMOBUYVLGRRHV-UEXGIBASSA-N 0 0 414.502 3.673 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCCC2)cc1 ZINC000005098018 559245235 /nfs/dbraw/zinc/24/52/35/559245235.db2.gz NARJOUPPBGGIOT-INIZCTEOSA-N 0 0 406.324 3.675 50 10 HHCARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1 ZINC000012339778 560211530 /nfs/dbraw/zinc/21/15/30/560211530.db2.gz NNPBSITXCGPXJC-UHFFFAOYSA-N 0 0 419.316 3.974 50 10 in-vitro HHCARN COCCn1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000005266302 560553764 /nfs/dbraw/zinc/55/37/64/560553764.db2.gz CAJOYFYXMAYJTE-UHFFFAOYSA-N 0 0 408.502 3.650 50 10 HHCARN COCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cc(C)n(-c3ccccc3)c2C)N1 ZINC000005613007 560630769 /nfs/dbraw/zinc/63/07/69/560630769.db2.gz OBHAGJYSXVLUPD-IBGZPJMESA-N 0 0 409.408 3.583 50 10 HHCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 ZINC000103223130 560840408 /nfs/dbraw/zinc/84/04/08/560840408.db2.gz FYLKWTHBHOBRNP-DXIQSLLYSA-N 0 0 405.454 3.894 50 10 HHCARN COc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 ZINC000049003846 568446543 /nfs/dbraw/zinc/44/65/43/568446543.db2.gz JYWXBQQCLXNLCF-UHFFFAOYSA-N 0 0 418.902 3.738 50 10 HHCARN O=C(C1=CN(c2ccccc2F)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 ZINC000049003925 568446636 /nfs/dbraw/zinc/44/66/36/568446636.db2.gz CQICMNNKYHPSLM-UHFFFAOYSA-N 0 0 404.438 3.744 50 10 HHCARN O=C(Cc1cccc2ccccc21)NN1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000005932527 568454380 /nfs/dbraw/zinc/45/43/80/568454380.db2.gz LFECEIDGIFYNIN-AQTBWJFISA-N 0 0 405.504 3.710 50 10 HHCARN COc1ccc2c3c(n(CCc4ccccn4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404463 568492386 /nfs/dbraw/zinc/49/23/86/568492386.db2.gz OAGGDMVHWGZHKG-UHFFFAOYSA-N 0 0 412.445 3.868 50 10 HHCARN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000012371393 568514815 /nfs/dbraw/zinc/51/48/15/568514815.db2.gz DBLKPPFNVIBTQA-SXGWCWSVSA-N 0 0 402.453 3.671 50 10 HHCARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O ZINC000012377231 568546025 /nfs/dbraw/zinc/54/60/25/568546025.db2.gz CPYYDQCVYYMMMY-UHFFFAOYSA-N 0 0 421.449 3.938 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 ZINC000020603840 568636123 /nfs/dbraw/zinc/63/61/23/568636123.db2.gz BDUDUSHZMQENTA-FQEVSTJZSA-N 0 0 421.463 3.575 50 10 HHCARN O=C(COC(=O)CCC1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000020969368 568654035 /nfs/dbraw/zinc/65/40/35/568654035.db2.gz RSECQWNZPFOOHJ-UHFFFAOYSA-N 0 0 405.450 3.914 50 10 HHCARN COc1ccc(N2CCN(C(=O)C[C@@H](c3cccc(OC)c3)n3cccc3)CC2)cc1 ZINC000020998503 568657340 /nfs/dbraw/zinc/65/73/40/568657340.db2.gz ASGLTBNOXGHJFA-DEOSSOPVSA-N 0 0 419.525 3.834 50 10 HHCARN CN(C)c1ccc(CNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000021540254 568713516 /nfs/dbraw/zinc/71/35/16/568713516.db2.gz CKOLWSRYRXUGHH-UHFFFAOYSA-N 0 0 418.522 3.575 50 10 HHCARN CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000229968811 568716221 /nfs/dbraw/zinc/71/62/21/568716221.db2.gz JRJLYCYGHKJFHH-XUVXKRRUSA-N 0 0 413.905 3.661 50 10 HHCARN CN1CCCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 ZINC000021886900 568758639 /nfs/dbraw/zinc/75/86/39/568758639.db2.gz RTUGIXBJSDPDLF-QFIPXVFZSA-N 0 0 413.949 3.526 50 10 HHCARN O=C(/C=C/c1cc(Br)ccc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000056198949 568793242 /nfs/dbraw/zinc/79/32/42/568793242.db2.gz IWTJJXHAQMMXBY-FPYGCLRLSA-N 0 0 419.294 3.754 50 10 HHCARN COc1ccc(-c2nn(CN3CCN(c4ccc(OC)cc4)CC3)c(=S)o2)cc1 ZINC000056552760 568811838 /nfs/dbraw/zinc/81/18/38/568811838.db2.gz HPLKHVJQUKKFCY-UHFFFAOYSA-N 0 0 412.515 3.669 50 10 HHCARN C[C@@H]1CN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn43)cc2F)C[C@@H](C)O1 ZINC000057376723 568830293 /nfs/dbraw/zinc/83/02/93/568830293.db2.gz LBKZXPJJLLKWTK-ZIAGYGMSSA-N 0 0 416.884 3.670 50 10 HHCARN CCCCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000012520501 568841285 /nfs/dbraw/zinc/84/12/85/568841285.db2.gz VOFAPAQJBCIQEM-UHFFFAOYSA-N 0 0 406.530 3.736 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000003477046 568860674 /nfs/dbraw/zinc/86/06/74/568860674.db2.gz VABUILLAJJHODP-JOCHJYFZSA-N 0 0 415.493 3.748 50 10 HHCARN COc1ccc(-n2c(C)cc(C(=O)COC(=O)COc3ccc(C=O)cc3)c2C)cc1 ZINC000003282251 568871843 /nfs/dbraw/zinc/87/18/43/568871843.db2.gz LEQKFADDIXYHRR-UHFFFAOYSA-N 0 0 421.449 3.720 50 10 HHCARN Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2N)c(C)n1-c1ccccc1F ZINC000003345964 568884577 /nfs/dbraw/zinc/88/45/77/568884577.db2.gz DYJBOVCLMOUJQL-UHFFFAOYSA-N 0 0 413.400 3.532 50 10 HHCARN C[C@@]12CC(=O)N[C@@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1O)C2 ZINC000004108710 568909575 /nfs/dbraw/zinc/90/95/75/568909575.db2.gz DOQSYCNJTJREJJ-CDHQVMDDSA-N 0 0 404.388 3.851 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000004174701 568948445 /nfs/dbraw/zinc/94/84/45/568948445.db2.gz KJCYENVFGNPACR-YVLHZVERSA-N 0 0 414.508 3.631 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000007988467 568965732 /nfs/dbraw/zinc/96/57/32/568965732.db2.gz OSIPRUMTLNHLKW-INIZCTEOSA-N 0 0 414.980 3.837 50 10 HHCARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000035640679 569047039 /nfs/dbraw/zinc/04/70/39/569047039.db2.gz OOZPPEYNRNCZQI-PTNGSMBKSA-N 0 0 417.468 3.808 50 10 HHCARN CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000006554620 569065435 /nfs/dbraw/zinc/06/54/35/569065435.db2.gz DSDVWDFABFWGSR-SFQUDFHCSA-N 0 0 414.508 3.640 50 10 HHCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3C)C2=O)ccc1O ZINC000016661538 569066644 /nfs/dbraw/zinc/06/66/44/569066644.db2.gz LPLHZSYSNTXZOK-LICLKQGHSA-N 0 0 414.508 3.564 50 10 HHCARN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCc1ccco1 ZINC000027023407 569070966 /nfs/dbraw/zinc/07/09/66/569070966.db2.gz JXWVYJATTSMAGR-GDNBJRDFSA-N 0 0 406.916 3.841 50 10 HHCARN COc1ccccc1CC(=O)NCc1ccc(N2CCN(c3ccccc3)CC2)cc1 ZINC000064756242 569089721 /nfs/dbraw/zinc/08/97/21/569089721.db2.gz UGEHUUNVDWYEIM-UHFFFAOYSA-N 0 0 415.537 3.881 50 10 biogenic HHCARN CC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccccc1O)N2 ZINC000064775573 569093551 /nfs/dbraw/zinc/09/35/51/569093551.db2.gz PYARSQOMLASKCW-SFHVURJKSA-N 0 0 413.905 3.614 50 10 biogenic HHCARN COC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000007423579 569237958 /nfs/dbraw/zinc/23/79/58/569237958.db2.gz ZEYBOACOUMTMMY-UHFFFAOYSA-N 0 0 411.483 3.613 50 10 HHCARN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000071824357 569254501 /nfs/dbraw/zinc/25/45/01/569254501.db2.gz JVGCIUUGPIEYQX-HJPURHCSSA-N 0 0 409.507 3.576 50 10 HHCARN CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21 ZINC000016838329 569264047 /nfs/dbraw/zinc/26/40/47/569264047.db2.gz AAQWBVHPJIOPDP-JOCHJYFZSA-N 0 0 413.949 3.526 50 10 HHCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)cc1F ZINC000013149060 569410078 /nfs/dbraw/zinc/41/00/78/569410078.db2.gz VWQHUXAPIABUFG-UHFFFAOYSA-N 0 0 421.355 3.536 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)c1 ZINC000008753542 571112705 /nfs/dbraw/zinc/11/27/05/571112705.db2.gz RVWGTAWNHOCXDL-KAMYIIQDSA-N 0 0 419.553 3.772 50 10 HHCARN NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000008843554 571124339 /nfs/dbraw/zinc/12/43/39/571124339.db2.gz XVCROCRRDDBBKI-OAQYLSRUSA-N 0 0 411.458 3.534 50 10 HHCARN NC(=O)c1sc2nc3c(c(-c4ccc([N+](=O)[O-])cc4)c2c1N)C(=O)c1ccccc1-3 ZINC000008856371 571127980 /nfs/dbraw/zinc/12/79/80/571127980.db2.gz KDZNPDPGHNRHDP-UHFFFAOYSA-N 0 0 416.418 3.764 50 10 HHCARN O=C1/C(=C\c2cccs2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008870250 571130301 /nfs/dbraw/zinc/13/03/01/571130301.db2.gz YMSGSQDOPMMNOO-KPKJPENVSA-N 0 0 408.442 3.793 50 10 HHCARN Cc1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000040060299 571147221 /nfs/dbraw/zinc/14/72/21/571147221.db2.gz XGSZBDAHNKGFBG-UHFFFAOYSA-N 0 0 417.469 3.708 50 10 HHCARN Cc1ccc(C)n1-c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000040158054 571204763 /nfs/dbraw/zinc/20/47/63/571204763.db2.gz SFTQLTGGVUCCSA-HXUWFJFHSA-N 0 0 405.498 3.856 50 10 HHCARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1 ZINC000245311308 571224088 /nfs/dbraw/zinc/22/40/88/571224088.db2.gz MYQPEHGYXKCSCY-YPAWHYETSA-N 0 0 400.434 3.752 50 10 HHCARN N=C1/C(=C\c2ccc(OC(=O)c3cccs3)c(Cl)c2)C(=O)N=C2SC=NN21 ZINC000009553911 571268211 /nfs/dbraw/zinc/26/82/11/571268211.db2.gz BUNVQCQZODGHLV-MAKGGSPHSA-N 0 0 416.871 3.870 50 10 HHCARN Cc1ccc(F)cc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000009586976 571271432 /nfs/dbraw/zinc/27/14/32/571271432.db2.gz HGZZXHUCWREZRD-UHFFFAOYSA-N 0 0 417.392 3.705 50 10 HHCARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 ZINC000010214107 571296704 /nfs/dbraw/zinc/29/67/04/571296704.db2.gz AZDPAGRZBYYUJK-IBGZPJMESA-N 0 0 411.889 3.928 50 10 HHCARN COC(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000010395136 571301954 /nfs/dbraw/zinc/30/19/54/571301954.db2.gz CFFCQMIQLOYOHN-UHFFFAOYSA-N 0 0 418.493 3.805 50 10 HHCARN CCOC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C ZINC000004057543 132270525 /nfs/dbraw/zinc/27/05/25/132270525.db2.gz CXXDZJLDICBAAF-UHFFFAOYSA-N 0 0 412.515 3.512 50 10 HHCARN CN1c2ccccc2C=C/C1=C\c1sc2ccccc2[n+]1CCCS(=O)(=O)[O-] ZINC000004517445 132277922 /nfs/dbraw/zinc/27/79/22/132277922.db2.gz DOUDUHOZLVBMBY-UHFFFAOYSA-O 0 0 413.544 3.971 50 10 HHCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)CC1 ZINC000004863294 132291106 /nfs/dbraw/zinc/29/11/06/132291106.db2.gz FWJUYQKPKHSBKG-XMHGGMMESA-N 0 0 408.483 3.696 50 10 HHCARN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCc2ccccc21 ZINC000006140077 132309406 /nfs/dbraw/zinc/30/94/06/132309406.db2.gz NMHBFVWUUJBMIG-LFIBNONCSA-N 0 0 400.550 3.929 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccco3)CC2)cc1 ZINC000006709715 132313409 /nfs/dbraw/zinc/31/34/09/132313409.db2.gz PADUMNZQSCFBBX-UHFFFAOYSA-N 0 0 405.454 3.503 50 10 HHCARN CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 ZINC000009293704 132338169 /nfs/dbraw/zinc/33/81/69/132338169.db2.gz SFJNKGQHLJSYBT-HKWRFOASSA-N 0 0 422.510 3.950 50 10 HHCARN O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)cc(F)c1[O-] ZINC000242339056 452921397 /nfs/dbraw/zinc/92/13/97/452921397.db2.gz ZENZGZKPGXAEPI-UHFFFAOYSA-N 0 0 411.455 3.681 50 10 HHCARN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=N)S1 ZINC000032964059 520901497 /nfs/dbraw/zinc/90/14/97/520901497.db2.gz XGYHYETVLQRQCO-CRKOOCFNSA-N 0 0 414.834 3.678 50 10 HHCARN COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085861 522053067 /nfs/dbraw/zinc/05/30/67/522053067.db2.gz LVLZBXCZQOALOD-UHFFFAOYSA-N 0 0 423.538 3.887 50 10 HHCARN COc1ccc(N2CCN([C@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000040416102 524434080 /nfs/dbraw/zinc/43/40/80/524434080.db2.gz XZCPXKNCLOGBHL-MRXNPFEDSA-N 0 0 421.463 3.541 50 10 HHCARN C[n+]1ccc(C=C2Sc3ccccc3N2CCCS(=O)(=O)[O-])c2ccccc21 ZINC000005015028 536328684 /nfs/dbraw/zinc/32/86/84/536328684.db2.gz XHJAABZMBBCGAN-UHFFFAOYSA-O 0 0 413.544 3.971 50 10 HHCARN COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 ZINC000012562865 536506224 /nfs/dbraw/zinc/50/62/24/536506224.db2.gz JBIHCEWWWTYNMZ-UHFFFAOYSA-N 0 0 409.511 3.790 50 10 HHCARN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000012631847 536701036 /nfs/dbraw/zinc/70/10/36/536701036.db2.gz UMAYFXITSVITQA-HNNXBMFYSA-N 0 0 423.435 3.743 50 10 HHCARN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000000660049 557042988 /nfs/dbraw/zinc/04/29/88/557042988.db2.gz FBCBQMQCYMFEDU-LLVKDONJSA-N 0 0 410.923 3.515 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccn1 ZINC000001182919 557232053 /nfs/dbraw/zinc/23/20/53/557232053.db2.gz CHOJVHNBAOPCKG-SDNWHVSQSA-N 0 0 403.916 3.965 50 10 HHCARN CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 ZINC000001836015 557291294 /nfs/dbraw/zinc/29/12/94/557291294.db2.gz HBRHOWIYIMLVAF-FCHUYYIVSA-N 0 0 417.527 3.707 50 10 HHCARN CCN1C(=O)/C(=C2\c3cc(OC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)SC1=S ZINC000002431421 557346640 /nfs/dbraw/zinc/34/66/40/557346640.db2.gz GEINNPXSBXXBAF-UKNJIDDLSA-N 0 0 402.541 3.919 50 10 HHCARN COc1cccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2OC)c1 ZINC000002958408 557431071 /nfs/dbraw/zinc/43/10/71/557431071.db2.gz IQPCKWNQXISNTF-WOJGMQOQSA-N 0 0 417.508 3.650 50 10 HHCARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000004648607 557575023 /nfs/dbraw/zinc/57/50/23/557575023.db2.gz IEVOVCUIGLZUKK-VUVCFOEZSA-N 0 0 413.499 3.785 50 10 HHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)CC1 ZINC000004663335 557578108 /nfs/dbraw/zinc/57/81/08/557578108.db2.gz VDNFKYUCDGNRIC-CYVLTUHYSA-N 0 0 415.559 3.778 50 10 HHCARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000004684762 557581040 /nfs/dbraw/zinc/58/10/40/557581040.db2.gz MJIGJULTTKHJGT-OAQYLSRUSA-N 0 0 402.502 3.889 50 10 HHCARN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 ZINC000002916563 557769909 /nfs/dbraw/zinc/76/99/09/557769909.db2.gz WSUWRGGDCJZGKT-APSNUPSMSA-N 0 0 416.436 3.738 50 10 HHCARN CCN1C(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)SC1=S ZINC000002959888 557773097 /nfs/dbraw/zinc/77/30/97/557773097.db2.gz RSGRMMDNTJGMDZ-ATVHPVEESA-N 0 0 419.549 3.984 50 10 HHCARN CCN1C(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)SC1=S ZINC000002962445 557773376 /nfs/dbraw/zinc/77/33/76/557773376.db2.gz STOFOHUWXGQTRD-ATVHPVEESA-N 0 0 419.549 3.984 50 10 HHCARN Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)n1-c1ccc(C)c(F)c1 ZINC000022525307 558495656 /nfs/dbraw/zinc/49/56/56/558495656.db2.gz PGFGRPFYVDTVGC-HNNXBMFYSA-N 0 0 416.493 3.818 50 10 HHCARN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013147579 558523231 /nfs/dbraw/zinc/52/32/31/558523231.db2.gz QEEUGLUWZSLAQO-UHFFFAOYSA-N 0 0 419.820 3.911 50 10 HHCARN COc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000013898140 558600717 /nfs/dbraw/zinc/60/07/17/558600717.db2.gz TVPHQQUKLVUFRM-QGOAFFKASA-N 0 0 401.509 3.984 50 10 HHCARN COc1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1OC ZINC000013942008 558604666 /nfs/dbraw/zinc/60/46/66/558604666.db2.gz CDEVKUUOSKWPLC-PDGQHHTCSA-N 0 0 417.508 3.650 50 10 HHCARN CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NC[C@H]3CCCO3)C2=O)cc1 ZINC000027020205 558668478 /nfs/dbraw/zinc/66/84/78/558668478.db2.gz HIBPZBRRHPBUKL-ZCWPUFOUSA-N 0 0 418.584 3.697 50 10 HHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000027156842 558670270 /nfs/dbraw/zinc/67/02/70/558670270.db2.gz MKIVEHAQCSPXGH-UHFFFAOYSA-N 0 0 416.525 3.554 50 10 HHCARN COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000027530309 558673991 /nfs/dbraw/zinc/67/39/91/558673991.db2.gz IQLDXHIYBUYUCM-GZTJUZNOSA-N 0 0 412.492 3.837 50 10 HHCARN O=C(NCc1ccccc1C(F)(F)F)C1=C2CCCN2c2ccccc2S1(=O)=O ZINC000065239773 558674356 /nfs/dbraw/zinc/67/43/56/558674356.db2.gz AVCQJRSOZHWBJQ-UHFFFAOYSA-N 0 0 422.428 3.621 50 10 HHCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000015011538 558700554 /nfs/dbraw/zinc/70/05/54/558700554.db2.gz ONKYOPVIWBGXNU-MHWRWJLKSA-N 0 0 403.456 3.885 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)cc1 ZINC000028495008 558701660 /nfs/dbraw/zinc/70/16/60/558701660.db2.gz MDWSPJJTPPKYQM-NRFANRHFSA-N 0 0 407.539 3.944 50 10 HHCARN CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)CC1 ZINC000015239863 558729419 /nfs/dbraw/zinc/72/94/19/558729419.db2.gz GRZYKPWXXSCZEH-RVDMUPIBSA-N 0 0 423.332 3.695 50 10 HHCARN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc2onc(C)c21 ZINC000072304696 558757361 /nfs/dbraw/zinc/75/73/61/558757361.db2.gz ZHRWTPYWYHOLJV-UHFFFAOYSA-N 0 0 404.264 3.970 50 10 HHCARN COc1ccc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)[nH]c2c1 ZINC000058419135 558925645 /nfs/dbraw/zinc/92/56/45/558925645.db2.gz BLIKYILLDULHBF-HUUCEWRRSA-N 0 0 411.477 3.859 50 10 HHCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100148877 559130662 /nfs/dbraw/zinc/13/06/62/559130662.db2.gz FWVJRBIFXSXEPX-LTGZKZEYSA-N 0 0 424.526 3.580 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc(OC)c4cc(F)cc(C)c4n3)CC2)cc1 ZINC000072328792 559176965 /nfs/dbraw/zinc/17/69/65/559176965.db2.gz AHLPBYQFPZGIOC-UHFFFAOYSA-N 0 0 409.461 3.662 50 10 HHCARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000005465365 560591978 /nfs/dbraw/zinc/59/19/78/560591978.db2.gz RYPGVJDMFVLWKM-JWGURIENSA-N 0 0 420.509 3.677 50 10 HHCARN COc1ccc(N2CCN(C(=O)CSc3cc(C)c4ccccc4n3)CC2)cc1 ZINC000005392549 560625433 /nfs/dbraw/zinc/62/54/33/560625433.db2.gz JSZSAFPZLWRZLL-UHFFFAOYSA-N 0 0 407.539 3.993 50 10 HHCARN Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cs2)o1 ZINC000047293600 560885814 /nfs/dbraw/zinc/88/58/14/560885814.db2.gz XRWGZAIUXMAYBA-UHFFFAOYSA-N 0 0 415.490 3.742 50 10 HHCARN O=C(C1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 ZINC000049003931 568446620 /nfs/dbraw/zinc/44/66/20/568446620.db2.gz WPARCEDUSPBUOQ-UHFFFAOYSA-N 0 0 404.438 3.744 50 10 HHCARN CCN(CC)c1ccc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)c(OC)c1 ZINC000000685102 568461786 /nfs/dbraw/zinc/46/17/86/568461786.db2.gz IZGCAGBQAWOTAK-CPNJWEJPSA-N 0 0 411.527 3.812 50 10 HHCARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000025021682 568514570 /nfs/dbraw/zinc/51/45/70/568514570.db2.gz SHEURBYVXCLJID-UHFFFAOYSA-N 0 0 410.386 3.876 50 10 HHCARN COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c2C)c1 ZINC000020236959 568595627 /nfs/dbraw/zinc/59/56/27/568595627.db2.gz NYVMZRPMXPHOEI-FIBLLSQRSA-N 0 0 406.442 3.562 50 10 HHCARN CCOC(=O)N1CCC2(CC1)N=C(c1cccc(O)c1)C[C@@H](c1ccccc1O)N2 ZINC000080324952 568601483 /nfs/dbraw/zinc/60/14/83/568601483.db2.gz UHIMGYSJPPMABJ-FQEVSTJZSA-N 0 0 409.486 3.570 50 10 HHCARN COc1ccc(N2CCN(c3nc(C(=O)N[C@@H](C)c4ccccc4)cs3)CC2)cc1 ZINC000096386295 568742844 /nfs/dbraw/zinc/74/28/44/568742844.db2.gz AIZWLPOMUOZRNI-KRWDZBQOSA-N 0 0 422.554 3.969 50 10 HHCARN CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000001186630 568822549 /nfs/dbraw/zinc/82/25/49/568822549.db2.gz QTSFUNODWUNXNJ-SFQUDFHCSA-N 0 0 413.524 3.710 50 10 HHCARN CC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)cc1 ZINC000005832179 568825094 /nfs/dbraw/zinc/82/50/94/568825094.db2.gz QYVYGJRMHDAIMI-OQLLNIDSSA-N 0 0 402.522 3.791 50 10 HHCARN CCN(CC)C(=S)SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005988761 568834419 /nfs/dbraw/zinc/83/44/19/568834419.db2.gz FSDKXRYRKUWWJX-UHFFFAOYSA-N 0 0 412.536 3.760 50 10 HHCARN Cc1cc(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000012588599 568867691 /nfs/dbraw/zinc/86/76/91/568867691.db2.gz UHTDSROOGPYJIZ-UHFFFAOYSA-N 0 0 403.442 3.665 50 10 HHCARN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012606630 568871147 /nfs/dbraw/zinc/87/11/47/568871147.db2.gz HHHRWSROBXEGNC-UHFFFAOYSA-N 0 0 424.570 3.831 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003337060 568883002 /nfs/dbraw/zinc/88/30/02/568883002.db2.gz MXESSGJJNSKKQL-UHFFFAOYSA-N 0 0 401.369 3.525 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)c1 ZINC000004063592 568937338 /nfs/dbraw/zinc/93/73/38/568937338.db2.gz RERIUOHVOFDXAY-SSZFMOIBSA-N 0 0 413.524 3.710 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc(C)cs3)C2=O)cc1 ZINC000001772020 569052403 /nfs/dbraw/zinc/05/24/03/569052403.db2.gz FRLGQAZTKRFJMY-ZSOIEALJSA-N 0 0 419.553 3.690 50 10 HHCARN Cc1c(N2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001907840 569057848 /nfs/dbraw/zinc/05/78/48/569057848.db2.gz PPBDQKMBFQMYNJ-LGMDPLHJSA-N 0 0 407.520 3.890 50 10 HHCARN Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035960345 569068727 /nfs/dbraw/zinc/06/87/27/569068727.db2.gz CKFNEJAHHSXCJP-QFIPXVFZSA-N 0 0 406.530 3.660 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000006747966 569108680 /nfs/dbraw/zinc/10/86/80/569108680.db2.gz IYQSZDKDHRJZMV-FQEVSTJZSA-N 0 0 406.482 3.680 50 10 HHCARN COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298297 569219183 /nfs/dbraw/zinc/21/91/83/569219183.db2.gz OVWPYEXPFLHHQO-QFIPXVFZSA-N 0 0 421.541 3.880 50 10 biogenic HHCARN O=C(NCc1ccc(N2CCSCC2)cc1)c1[nH]nc(C2CC2)c1Br ZINC000065522071 569233760 /nfs/dbraw/zinc/23/37/60/569233760.db2.gz DOXLKMVCNIDVDI-UHFFFAOYSA-N 0 0 421.364 3.533 50 10 HHCARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000010057071 569252993 /nfs/dbraw/zinc/25/29/93/569252993.db2.gz HQSKSTKSGAEHDH-UHFFFAOYSA-N 0 0 401.514 3.814 50 10 HHCARN COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000002145791 569289625 /nfs/dbraw/zinc/28/96/25/569289625.db2.gz ZVOMUWSYGDZECZ-GRSHGNNSSA-N 0 0 414.483 3.896 50 10 HHCARN COc1cccc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 ZINC000027531591 569366904 /nfs/dbraw/zinc/36/69/04/569366904.db2.gz DJJPRWQHGHOREU-LDADJPATSA-N 0 0 401.509 3.984 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccc(Cl)cc1Cl ZINC000008821941 571121620 /nfs/dbraw/zinc/12/16/20/571121620.db2.gz XEIDDWLGGPZNDG-QPEQYQDCSA-N 0 0 410.307 3.935 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000040088843 571158875 /nfs/dbraw/zinc/15/88/75/571158875.db2.gz YUNBEWSLEWXKJS-UHFFFAOYSA-N 0 0 407.539 3.843 50 10 HHCARN Cc1c2ccc([O-])c(C[NH2+]CCCn3ccnc3)c2oc(=O)c1Cc1ccccc1 ZINC000008990355 571206301 /nfs/dbraw/zinc/20/63/01/571206301.db2.gz UMTRGTJUUKILMD-UHFFFAOYSA-N 0 0 403.482 3.774 50 10 HHCARN O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc2nonc21 ZINC000009045960 571215633 /nfs/dbraw/zinc/21/56/33/571215633.db2.gz UXQQEIUMYQNXSL-VBKFSLOCSA-N 0 0 424.507 3.843 50 10 HHCARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl ZINC000009233553 571239785 /nfs/dbraw/zinc/23/97/85/571239785.db2.gz CBTYXITWTXUENS-FRKPEAEDSA-N 0 0 418.858 3.735 50 10 HHCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnnn1-c1ccccc1 ZINC000009516312 571264972 /nfs/dbraw/zinc/26/49/72/571264972.db2.gz FDQWDUDHQQZPIN-UHFFFAOYSA-N 0 0 420.498 3.609 50 10 HHCARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 ZINC000010213927 571296655 /nfs/dbraw/zinc/29/66/55/571296655.db2.gz JBLBRUHWARGUQB-LJQANCHMSA-N 0 0 407.470 3.884 50 10 HHCARN CCCCN1c2ccccc2/C(=C2\SC(=S)N(CCCOCC)C2=O)C1=O ZINC000002668148 960474630 /nfs/dbraw/zinc/47/46/30/960474630.db2.gz KRSMZDGMQQTSOV-WUKNDPDISA-N 0 0 404.557 3.831 50 10 HHCARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 ZINC000012564963 962293390 /nfs/dbraw/zinc/29/33/90/962293390.db2.gz REXIMCUCKCNBOV-RBNVVWFDSA-N 0 0 403.526 3.519 50 10 HHCARN COc1cccc(C(=O)Oc2cccc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2)c1 ZINC000016247139 962989363 /nfs/dbraw/zinc/98/93/63/962989363.db2.gz SWQZYXYGNGSYGA-JMCWYTMQSA-N 0 0 405.435 3.691 50 10 HHCARN Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000256269694 970614532 /nfs/dbraw/zinc/61/45/32/970614532.db2.gz KMLVKWGMGPTYLS-UHFFFAOYSA-N 0 0 423.813 3.671 50 10 HHCARN CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000257180097 970618857 /nfs/dbraw/zinc/61/88/57/970618857.db2.gz DFVZBIRGCLQLST-GOTSBHOMSA-N 0 0 417.509 3.502 50 10 HHCARN CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000004859649 132290729 /nfs/dbraw/zinc/29/07/29/132290729.db2.gz IUURHHZNXXUCKM-GZTJUZNOSA-N 0 0 413.861 3.558 50 10 HHCARN CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccc(N(C)C)cc3)cc2s1 ZINC000032959752 519880436 /nfs/dbraw/zinc/88/04/36/519880436.db2.gz QUJZNNSZAHFQDA-UHFFFAOYSA-N 0 0 410.543 3.960 50 10 HHCARN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000032708037 520850062 /nfs/dbraw/zinc/85/00/62/520850062.db2.gz RGWWWCGKTDJYBL-GZTJUZNOSA-N 0 0 414.508 3.631 50 10 HHCARN COc1ccc(N2CCN(c3nc(Cl)nc(Nc4ccc(F)cc4)n3)CC2)cc1 ZINC000000969415 524436877 /nfs/dbraw/zinc/43/68/77/524436877.db2.gz UPGPCOREBWFJLY-UHFFFAOYSA-N 0 0 414.872 3.743 50 10 aggregator HHCARN O=C(C1=CN(c2ccc3c(c2)CCC3)c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000044169785 526276636 /nfs/dbraw/zinc/27/66/36/526276636.db2.gz CXHWTLQLVXJBEM-UHFFFAOYSA-N 0 0 408.523 3.955 50 10 HHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000032724419 527016969 /nfs/dbraw/zinc/01/69/69/527016969.db2.gz QHCGFDGOVJENTF-UHFFFAOYSA-N 0 0 406.555 3.524 50 10 HHCARN Cc1nc2cc(F)cc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2nc1C ZINC000054035183 527120477 /nfs/dbraw/zinc/12/04/77/527120477.db2.gz JNCOZTYANWVXDR-UHFFFAOYSA-N 0 0 410.518 3.869 50 10 HHCARN COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Br ZINC000010907476 536695932 /nfs/dbraw/zinc/69/59/32/536695932.db2.gz HUGONODDZCVHSF-UHFFFAOYSA-N 0 0 419.319 3.567 50 10 HHCARN COc1ccc(N2CCN(c3ncnc4c5cc(OC)ccc5n(C)c43)C[C@H]2C)cc1 ZINC000005516523 536703527 /nfs/dbraw/zinc/70/35/27/536703527.db2.gz ZBPSKDUKVXDJFZ-MRXNPFEDSA-N 0 0 417.513 3.854 50 10 HHCARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000001251676 557251861 /nfs/dbraw/zinc/25/18/61/557251861.db2.gz ZBBMHCONVICGAI-HXUWFJFHSA-N 0 0 410.543 3.583 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 ZINC000002285075 557334360 /nfs/dbraw/zinc/33/43/60/557334360.db2.gz STFPOKAPNVHIBJ-OQLLNIDSSA-N 0 0 418.521 3.707 50 10 HHCARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000004321136 557540670 /nfs/dbraw/zinc/54/06/70/557540670.db2.gz KVXCJDBYPIEREP-JOCHJYFZSA-N 0 0 423.513 3.783 50 10 HHCARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000005092362 557634917 /nfs/dbraw/zinc/63/49/17/557634917.db2.gz DBVORZNOVHHMJF-UHFFFAOYSA-N 0 0 417.417 3.740 50 10 HHCARN CN1C(=O)/C(=C\c2ccccc2OCCOCCOc2ccccc2)SC1=S ZINC000005103020 557636591 /nfs/dbraw/zinc/63/65/91/557636591.db2.gz QCQVJRTUNMGSIP-XDJHFCHBSA-N 0 0 415.536 3.992 50 10 HHCARN COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 ZINC000006645217 557711663 /nfs/dbraw/zinc/71/16/63/557711663.db2.gz WSUWRGGDCJZGKT-FRKPEAEDSA-N 0 0 416.436 3.738 50 10 HHCARN CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000022665575 557715089 /nfs/dbraw/zinc/71/50/89/557715089.db2.gz HHKZIPSQVQBOBO-HSZRJFAPSA-N 0 0 412.553 3.671 50 10 HHCARN CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 ZINC000002948376 557773888 /nfs/dbraw/zinc/77/38/88/557773888.db2.gz ODQNXRHZLNPQLE-OAHLLOKOSA-N 0 0 424.522 3.572 50 10 HHCARN N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000008769109 557806346 /nfs/dbraw/zinc/80/63/46/557806346.db2.gz GSCODZSOFDVBPV-ZSCJGDHMSA-N 0 0 422.491 3.925 50 10 HHCARN CN1CCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 ZINC000022733517 557807349 /nfs/dbraw/zinc/80/73/49/557807349.db2.gz ORZIDZYRXWRFKS-XMMPIXPASA-N 0 0 421.585 3.780 50 10 HHCARN CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)NC1=S ZINC000009311646 557836449 /nfs/dbraw/zinc/83/64/49/557836449.db2.gz ATMMOYBEGBOOHR-UKTHLTGXSA-N 0 0 421.305 3.829 50 10 HHCARN O=C1/C(=C/c2ccco2)SC(=S)N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000019795271 558284379 /nfs/dbraw/zinc/28/43/79/558284379.db2.gz ASKXNOLUQAZACC-ATVHPVEESA-N 0 0 419.959 3.914 50 10 HHCARN Cc1ccc(/C=C2\SC(=S)N(CN3CCN(c4cccc(C)c4)CC3)C2=O)o1 ZINC000019798811 558285105 /nfs/dbraw/zinc/28/51/05/558285105.db2.gz TUGXCLNXYWIKJF-UYRXBGFRSA-N 0 0 413.568 3.877 50 10 HHCARN C=C(c1ccc(OC)cc1)C1SC(=S)N(CCC(=O)Nc2nccs2)C1=O ZINC000012342753 558386198 /nfs/dbraw/zinc/38/61/98/558386198.db2.gz LFHUMMSKBNITQT-RVDMUPIBSA-N 0 0 419.553 3.772 50 10 HHCARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000020887317 558420029 /nfs/dbraw/zinc/42/00/29/558420029.db2.gz UAUCGMOENXFWQM-UHFFFAOYSA-N 0 0 416.930 3.705 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2csc(Br)c2)cc1 ZINC000072032426 558434620 /nfs/dbraw/zinc/43/46/20/558434620.db2.gz WNYFOLGWQHVGGH-UHFFFAOYSA-N 0 0 410.381 3.667 50 10 HHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000013810865 558595782 /nfs/dbraw/zinc/59/57/82/558595782.db2.gz VLDAGWDIIVJEHX-YBEGLDIGSA-N 0 0 419.846 3.811 50 10 HHCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000014009248 558612863 /nfs/dbraw/zinc/61/28/63/558612863.db2.gz SYIHRQRYSFEYDK-MFOYZWKCSA-N 0 0 415.287 3.817 50 10 HHCARN CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1O ZINC000026510044 558662153 /nfs/dbraw/zinc/66/21/53/558662153.db2.gz JZVRSWDBBVUDLD-VBKFSLOCSA-N 0 0 409.529 3.726 50 10 HHCARN COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1 ZINC000015222341 558728516 /nfs/dbraw/zinc/72/85/16/558728516.db2.gz RNFMKCLNLQOTCG-GZTJUZNOSA-N 0 0 414.508 3.558 50 10 HHCARN Cc1cc(-c2csc(NC(=O)[C@H]3COCCO3)n2)c(C)n1-c1ccc(F)cc1 ZINC000030601775 558733736 /nfs/dbraw/zinc/73/37/36/558733736.db2.gz ZPLSEQMKZZWIKC-GOSISDBHSA-N 0 0 401.463 3.711 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 ZINC000015799533 558753702 /nfs/dbraw/zinc/75/37/02/558753702.db2.gz OWXHYIBOWQYZBG-SSZFMOIBSA-N 0 0 413.524 3.710 50 10 HHCARN Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000016212795 558778617 /nfs/dbraw/zinc/77/86/17/558778617.db2.gz PZDIQNLSSOKTDG-BOPFTXTBSA-N 0 0 419.549 3.902 50 10 HHCARN CCOC(=O)c1ccc(OCC(=O)c2ccc([O-])c(C[NH+]3CCCCC3)c2O)cc1 ZINC000023135315 559018665 /nfs/dbraw/zinc/01/86/65/559018665.db2.gz XTRKIDSBXLGHKY-UHFFFAOYSA-N 0 0 413.470 3.522 50 10 HHCARN COc1ccc(N2CCN(c3nc4n[nH]cc4c(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000023135946 559018742 /nfs/dbraw/zinc/01/87/42/559018742.db2.gz IESCIKPCNJQXOW-UHFFFAOYSA-N 0 0 415.501 3.740 50 10 HHCARN C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@H](C)O1 ZINC000004844340 559179057 /nfs/dbraw/zinc/17/90/57/559179057.db2.gz HXJAJCWVRXGKEG-ZASVFINYSA-N 0 0 413.455 3.934 50 10 HHCARN CCCCN1C(=O)[C@@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000135634048 559202197 /nfs/dbraw/zinc/20/21/97/559202197.db2.gz UUVFPIFGOGYEQR-FDFHNCONSA-N 0 0 407.514 3.708 50 10 HHCARN O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000005030839 559230826 /nfs/dbraw/zinc/23/08/26/559230826.db2.gz CEFYNMXAQOJNNC-UHFFFAOYSA-N 0 0 404.422 3.728 50 10 HHCARN CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 ZINC000033913223 559292221 /nfs/dbraw/zinc/29/22/21/559292221.db2.gz XYABCCLYKPRCBH-GZTJUZNOSA-N 0 0 414.508 3.840 50 10 HHCARN O=C(c1cccc([N+](=O)[O-])c1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000408822632 560556374 /nfs/dbraw/zinc/55/63/74/560556374.db2.gz PVEBWCDVOIOAMT-RIYZIHGNSA-N 0 0 415.408 3.545 50 10 HHCARN O=C(OCc1nnc(-c2ccccc2)o1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000005452680 560589593 /nfs/dbraw/zinc/58/95/93/560589593.db2.gz JIDBXYQIQMQBOK-UHFFFAOYSA-N 0 0 410.385 3.869 50 10 HHCARN CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000102060519 560807638 /nfs/dbraw/zinc/80/76/38/560807638.db2.gz MHCSVBLIICKDAJ-GOYGXENFSA-N 0 0 401.576 3.913 50 10 HHCARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)c1 ZINC000102701280 560820351 /nfs/dbraw/zinc/82/03/51/560820351.db2.gz LHCMQUIDDUZMNR-BHIFYINESA-N 0 0 400.434 3.752 50 10 HHCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000102857655 560831028 /nfs/dbraw/zinc/83/10/28/560831028.db2.gz SHGAJLFHMJUABG-QGOAFFKASA-N 0 0 422.535 3.903 50 10 HHCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000020236154 568595359 /nfs/dbraw/zinc/59/53/59/568595359.db2.gz HPMOOCPPNLNGLY-MEOLDJOHSA-N 0 0 421.384 3.504 50 10 HHCARN CSc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3ccccc3O)C2)cc1 ZINC000080324945 568601522 /nfs/dbraw/zinc/60/15/22/568601522.db2.gz KZCHNGYVDPQVLD-NRFANRHFSA-N 0 0 409.555 3.976 50 10 HHCARN COC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCC3)c2=O)cc1 ZINC000020412349 568605465 /nfs/dbraw/zinc/60/54/65/568605465.db2.gz XUAZQURTRMZSAK-UHFFFAOYSA-N 0 0 409.438 3.982 50 10 biogenic HHCARN O=C(NC1=N[C@@H](c2ccccc2F)CC(=O)N1)c1ccc(Oc2ccccc2)cc1 ZINC000020924636 568651318 /nfs/dbraw/zinc/65/13/18/568651318.db2.gz LPVORLJWGLVWMA-HXUWFJFHSA-N 0 0 403.413 3.965 50 10 HHCARN Cc1cc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000225764421 568672400 /nfs/dbraw/zinc/67/24/00/568672400.db2.gz XEEXPSPDMCKPHE-QHCPKHFHSA-N 0 0 412.534 3.866 50 10 HHCARN Cc1cc(/C=C\C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000096188121 568703310 /nfs/dbraw/zinc/70/33/10/568703310.db2.gz TVJJVZOKVAJTNZ-KUFMOJEASA-N 0 0 409.555 3.631 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000000880136 568737223 /nfs/dbraw/zinc/73/72/23/568737223.db2.gz MUYWCFYXDHYKRC-JQVVWYNYSA-N 0 0 414.502 3.673 50 10 HHCARN COc1ccc(N2CCN(c3nc(C(=O)NC4CCCCC4)cs3)CC2)cc1 ZINC000096386298 568742878 /nfs/dbraw/zinc/74/28/78/568742878.db2.gz FJHIKVKWEYQECZ-UHFFFAOYSA-N 0 0 400.548 3.541 50 10 HHCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000001030858 568764302 /nfs/dbraw/zinc/76/43/02/568764302.db2.gz ZMFLFEWSTKDMLT-MHWRWJLKSA-N 0 0 403.456 3.932 50 10 HHCARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000002925096 568817148 /nfs/dbraw/zinc/81/71/48/568817148.db2.gz BBDODUJGRQYCNH-UHFFFAOYSA-N 0 0 404.513 3.890 50 10 HHCARN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000057378539 568830233 /nfs/dbraw/zinc/83/02/33/568830233.db2.gz VBVZXZRNRLAZNW-HNNXBMFYSA-N 0 0 407.436 3.863 50 10 HHCARN O=C(CSC(=S)N1CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000012569125 568861438 /nfs/dbraw/zinc/86/14/38/568861438.db2.gz CZCIFDZSDVLLQB-UHFFFAOYSA-N 0 0 410.520 3.514 50 10 HHCARN CCCn1ccnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000015279279 568869727 /nfs/dbraw/zinc/86/97/27/568869727.db2.gz KVCXTVLVEUEWLH-UHFFFAOYSA-N 0 0 405.479 3.799 50 10 HHCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1O ZINC000001238393 568907088 /nfs/dbraw/zinc/90/70/88/568907088.db2.gz SDLKYCBEQOMCTQ-GZTJUZNOSA-N 0 0 415.492 3.983 50 10 HHCARN COC(=O)C1=CN(c2cc(C)c(Cl)cc2OC)c2ccc(F)cc2S1(=O)=O ZINC000263616448 568910950 /nfs/dbraw/zinc/91/09/50/568910950.db2.gz ISVWHMODPJYSSI-UHFFFAOYSA-N 0 0 411.838 3.736 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1OC ZINC000001306906 568913597 /nfs/dbraw/zinc/91/35/97/568913597.db2.gz VMBSXQIFMSBINB-WJDWOHSUSA-N 0 0 414.508 3.558 50 10 HHCARN COC(=O)c1cc(Br)c(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000083854289 568919742 /nfs/dbraw/zinc/91/97/42/568919742.db2.gz DBKKECZYXHRQBI-UHFFFAOYSA-N 0 0 412.309 3.685 50 10 HHCARN O=C1c2ccccc2C(=O)N1N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000001404708 568927667 /nfs/dbraw/zinc/92/76/67/568927667.db2.gz NRGQXSOXVYZITN-ZROIWOOFSA-N 0 0 400.868 3.752 50 10 HHCARN CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cccc1OC ZINC000001417259 568934797 /nfs/dbraw/zinc/93/47/97/568934797.db2.gz XLNUXGFOFPVEPY-FOWTUZBSSA-N 0 0 414.508 3.640 50 10 HHCARN Cc1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c(C)n1-c1cccc(C)c1 ZINC000084213253 568944632 /nfs/dbraw/zinc/94/46/32/568944632.db2.gz RIANNMQXOOMHFC-IRLDBZIGSA-N 0 0 408.498 3.960 50 10 HHCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1 ZINC000006178516 569017567 /nfs/dbraw/zinc/01/75/67/569017567.db2.gz HWIZBIMTKHBKFS-QGOAFFKASA-N 0 0 401.509 3.984 50 10 HHCARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)o1 ZINC000016663327 569066706 /nfs/dbraw/zinc/06/67/06/569066706.db2.gz UTCGHQAKDVXJBJ-JYRVWZFOSA-N 0 0 423.313 3.897 50 10 HHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000006657483 569082994 /nfs/dbraw/zinc/08/29/94/569082994.db2.gz FSJZOCLKKIWVFF-FQEVSTJZSA-N 0 0 407.539 3.979 50 10 HHCARN CCN(CC)c1ccc(CN(C(=O)c2cccs2)C(C)C)c(OS(C)(=O)=O)c1 ZINC000006709453 569095667 /nfs/dbraw/zinc/09/56/67/569095667.db2.gz NOHVHRQFXOIKJR-UHFFFAOYSA-N 0 0 424.588 3.984 50 10 HHCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C2CC2)c(OS(=O)(=O)CC)c1 ZINC000006711498 569096687 /nfs/dbraw/zinc/09/66/87/569096687.db2.gz FEOCPXNTUZPQSR-UHFFFAOYSA-N 0 0 408.564 3.552 50 10 HHCARN Cc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)o2)cc1 ZINC000065229635 569200536 /nfs/dbraw/zinc/20/05/36/569200536.db2.gz VUDYUUWXNXHKGU-UHFFFAOYSA-N 0 0 419.529 3.644 50 10 HHCARN CCOc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3ccccc3O)C2)cc1 ZINC000065297910 569219115 /nfs/dbraw/zinc/21/91/15/569219115.db2.gz IFKOILCJZXBXDS-QFIPXVFZSA-N 0 0 407.514 3.653 50 10 biogenic HHCARN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 ZINC000170626931 569250524 /nfs/dbraw/zinc/25/05/24/569250524.db2.gz MDDSYYODOINMDV-JOCHJYFZSA-N 0 0 403.434 3.785 50 10 HHCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)c(F)c1 ZINC000089857714 569267200 /nfs/dbraw/zinc/26/72/00/569267200.db2.gz CLURKRAXNGUKGF-UHFFFAOYSA-N 0 0 421.355 3.536 50 10 HHCARN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000078947477 569421841 /nfs/dbraw/zinc/42/18/41/569421841.db2.gz UNIWTPHVJMFOKP-UHFFFAOYSA-N 0 0 417.307 3.716 50 10 HHCARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c(C(F)(F)F)c3)c3cccc1c23 ZINC000079075848 569427016 /nfs/dbraw/zinc/42/70/16/569427016.db2.gz NGLLPLAXOQBEMP-UHFFFAOYSA-N 0 0 408.357 3.931 50 10 HHCARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)s1 ZINC000008801636 571120790 /nfs/dbraw/zinc/12/07/90/571120790.db2.gz GUZFGCYFCFWNQM-FQEVSTJZSA-N 0 0 419.616 3.554 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2nccnc2c1 ZINC000009052478 571216491 /nfs/dbraw/zinc/21/64/91/571216491.db2.gz YZYUZQOQAPBLKR-MFOYZWKCSA-N 0 0 424.482 3.609 50 10 HHCARN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccc(O)cc1 ZINC000009348022 571250379 /nfs/dbraw/zinc/25/03/79/571250379.db2.gz IASOPKIGFVNDBK-LLLGHMJXSA-N 0 0 424.547 3.509 50 10 HHCARN O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1Cc1ccccc1 ZINC000009420427 571256801 /nfs/dbraw/zinc/25/68/01/571256801.db2.gz DJWDIJVFQBTSNN-QGMBQPNBSA-N 0 0 422.487 3.658 50 10 HHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2nccnc2c1 ZINC000009764052 571284927 /nfs/dbraw/zinc/28/49/27/571284927.db2.gz QBZWXRTWTYGYJO-PDGQHHTCSA-N 0 0 420.519 3.860 50 10 HHCARN C[C@@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000096862957 969052615 /nfs/dbraw/zinc/05/26/15/969052615.db2.gz CUKIATURLOPKNW-XMXAVACDSA-N 0 0 415.401 3.639 50 10 HHCARN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 ZINC000004575410 132279093 /nfs/dbraw/zinc/27/90/93/132279093.db2.gz DWSCRGYCBNTQEO-UHFFFAOYSA-N 0 0 407.474 3.733 50 10 HHCARN CN1c2ccccc2SC1=Cc1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-] ZINC000005027439 132298774 /nfs/dbraw/zinc/29/87/74/132298774.db2.gz OQGZNQYDKBMZGE-UHFFFAOYSA-O 0 0 413.544 3.878 50 10 HHCARN COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)Cc2ccccc2)cc1 ZINC000010395176 132345978 /nfs/dbraw/zinc/34/59/78/132345978.db2.gz PAAWUMHBZNPGLT-UHFFFAOYSA-N 0 0 401.466 3.687 50 10 HHCARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010962119 132346950 /nfs/dbraw/zinc/34/69/50/132346950.db2.gz HNOMQHZPVJVAPV-UHFFFAOYSA-N 0 0 400.544 3.661 50 10 HHCARN CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000012554925 132363504 /nfs/dbraw/zinc/36/35/04/132363504.db2.gz NOQQQGHZYCLFHO-GOSISDBHSA-N 0 0 402.560 3.857 50 10 HHCARN CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000022665782 132475349 /nfs/dbraw/zinc/47/53/49/132475349.db2.gz ZXRKICSMZINUJP-HSZRJFAPSA-N 0 0 412.553 3.527 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000020603821 522241858 /nfs/dbraw/zinc/24/18/58/522241858.db2.gz KXCFPDNQIMXTAT-HXUWFJFHSA-N 0 0 421.463 3.575 50 10 HHCARN CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000020591266 523742669 /nfs/dbraw/zinc/74/26/69/523742669.db2.gz AVDRSBRATBSGFI-UHFFFAOYSA-N 0 0 401.846 3.791 50 10 HHCARN COc1ccc(N2CCN(C(=O)CSc3ccc(Br)cc3)CC2)cc1 ZINC000003524999 536682816 /nfs/dbraw/zinc/68/28/16/536682816.db2.gz XTJWYHCJQLFFMM-UHFFFAOYSA-N 0 0 421.360 3.899 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 ZINC000001011243 557142025 /nfs/dbraw/zinc/14/20/25/557142025.db2.gz SSMTYDGKLCBNRV-LFIBNONCSA-N 0 0 402.472 3.761 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)cc1OC ZINC000001166561 557221158 /nfs/dbraw/zinc/22/11/58/557221158.db2.gz IUXHAWCLOCQLTD-VBKFSLOCSA-N 0 0 422.572 3.600 50 10 HHCARN Cc1cccc(Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)c1 ZINC000001186236 557234208 /nfs/dbraw/zinc/23/42/08/557234208.db2.gz ALLYUDXZHPXYMR-UHFFFAOYSA-N 0 0 403.507 3.597 50 10 HHCARN COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001217237 557246413 /nfs/dbraw/zinc/24/64/13/557246413.db2.gz AQCMHFRDUNFXMY-PTNGSMBKSA-N 0 0 404.538 3.987 50 10 HHCARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 ZINC000001251675 557251748 /nfs/dbraw/zinc/25/17/48/557251748.db2.gz ZBBMHCONVICGAI-FQEVSTJZSA-N 0 0 410.543 3.583 50 10 HHCARN O=C(c1ccc(F)cc1)N(C[C@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691970 557372467 /nfs/dbraw/zinc/37/24/67/557372467.db2.gz FQDWKKQQEXRTHP-JOCHJYFZSA-N 0 0 412.505 3.817 50 10 HHCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=N)S1 ZINC000003864207 557501542 /nfs/dbraw/zinc/50/15/42/557501542.db2.gz SDFYCMQZQWAQJW-QBILMKHKSA-N 0 0 408.439 3.762 50 10 HHCARN Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000004310058 557539099 /nfs/dbraw/zinc/53/90/99/557539099.db2.gz QHEBMGCYELDCLB-UHFFFAOYSA-N 0 0 400.459 3.897 50 10 HHCARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNCCC(C)C)cc1 ZINC000004755680 557593680 /nfs/dbraw/zinc/59/36/80/557593680.db2.gz DBOFKLZEOPUDMX-ZHZULCJRSA-N 0 0 408.458 3.874 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 ZINC000022665396 557714116 /nfs/dbraw/zinc/71/41/16/557714116.db2.gz DYZKBGMPLKLOER-HSZRJFAPSA-N 0 0 408.590 3.778 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N2CCN(c3ccccc3)CC2)cc1 ZINC000022665429 557714972 /nfs/dbraw/zinc/71/49/72/557714972.db2.gz DADRMUXWYIULAN-QHCPKHFHSA-N 0 0 418.541 3.639 50 10 HHCARN CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 ZINC000008735638 557803009 /nfs/dbraw/zinc/80/30/09/557803009.db2.gz DPMHMFIRRRVEIX-PKNBQFBNSA-N 0 0 424.598 3.782 50 10 HHCARN CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 ZINC000008817401 557809868 /nfs/dbraw/zinc/80/98/68/557809868.db2.gz JATUPGCHDDJPFY-RAXLEYEMSA-N 0 0 418.569 3.639 50 10 HHCARN COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546846 557824001 /nfs/dbraw/zinc/82/40/01/557824001.db2.gz KYPZNYQKXAMDOM-DYESRHJHSA-N 0 0 401.576 3.781 50 10 HHCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000013689611 558571828 /nfs/dbraw/zinc/57/18/28/558571828.db2.gz OCDUYSNOFHZQJT-GDNBJRDFSA-N 0 0 404.900 3.895 50 10 HHCARN CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000027662889 558678364 /nfs/dbraw/zinc/67/83/64/558678364.db2.gz LFUJDIBEYVPDBD-NJDAHSKKSA-N 0 0 418.603 3.507 50 10 HHCARN COc1ccc(N2CCN(c3nc4ccccc4cc3-c3noc(C)n3)CC2)cc1 ZINC000033318214 558766359 /nfs/dbraw/zinc/76/63/59/558766359.db2.gz VQNGEGGJMUBTQJ-UHFFFAOYSA-N 0 0 401.470 3.928 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000017299762 558826549 /nfs/dbraw/zinc/82/65/49/558826549.db2.gz RLPCGRKFMJJHBV-AQTBWJFISA-N 0 0 409.438 3.677 50 10 HHCARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000004599449 558834757 /nfs/dbraw/zinc/83/47/57/558834757.db2.gz AJPAVLQPUIZDGP-WOJGMQOQSA-N 0 0 414.483 3.702 50 10 HHCARN COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)o3)SC2=S)cc1 ZINC000004691015 558904971 /nfs/dbraw/zinc/90/49/71/558904971.db2.gz ZCGVDVJMMDTRCZ-FOWTUZBSSA-N 0 0 402.497 3.531 50 10 HHCARN CS(=O)(=O)c1ccc(Nc2ccc(NCC3CCCC3)cc2)c(S(C)(=O)=O)c1 ZINC000058217526 558912674 /nfs/dbraw/zinc/91/26/74/558912674.db2.gz BARPUXMHQYAPRU-UHFFFAOYSA-N 0 0 422.572 3.839 50 10 HHCARN O=S1(=O)N=C(CN2CCCc3cc(OC(F)(F)F)ccc32)Nc2ccccc21 ZINC000058414852 558925214 /nfs/dbraw/zinc/92/52/14/558925214.db2.gz KMQLGGSPIPHGOJ-UHFFFAOYSA-N 0 0 411.405 3.551 50 10 HHCARN CCCN1C(=O)/C(=C\c2ccc(O)c(I)c2)SC1=S ZINC000004629061 558931493 /nfs/dbraw/zinc/93/14/93/558931493.db2.gz IOIHOEOKZZGQFS-YRNVUSSQSA-N 0 0 405.282 3.608 50 10 HHCARN CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000004749127 559047254 /nfs/dbraw/zinc/04/72/54/559047254.db2.gz USVYQDFFOGJTFD-JCMHNJIXSA-N 0 0 401.466 3.954 50 10 HHCARN COc1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc43)CC2)cc1 ZINC000033315032 559055465 /nfs/dbraw/zinc/05/54/65/559055465.db2.gz MZLLQOHMZZNNDS-UHFFFAOYSA-N 0 0 411.509 3.951 50 10 HHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N2O1 ZINC000005013356 559228192 /nfs/dbraw/zinc/22/81/92/559228192.db2.gz OEEXELUEMCXOKV-OMSSWJLUSA-N 0 0 403.438 3.903 50 10 HHCARN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005097964 559245208 /nfs/dbraw/zinc/24/52/08/559245208.db2.gz FXOZYDOMCRJCMK-FQEVSTJZSA-N 0 0 401.938 3.982 50 10 HHCARN O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1Cc1ccccc1 ZINC000005192097 559291550 /nfs/dbraw/zinc/29/15/50/559291550.db2.gz OTLGDTXZIFWOAM-APSNUPSMSA-N 0 0 400.437 3.725 50 10 HHCARN COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c1 ZINC000005234199 560548023 /nfs/dbraw/zinc/54/80/23/560548023.db2.gz YZFQPBAAGUVSSM-FOWTUZBSSA-N 0 0 402.497 3.908 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N1CCCC[C@H]1c1cccnc1 ZINC000005348755 560571081 /nfs/dbraw/zinc/57/10/81/560571081.db2.gz OBEUVMLWQNEILI-FDIDWWNZSA-N 0 0 413.524 3.630 50 10 biogenic HHCARN CC1=NC(=S)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000102060514 560807656 /nfs/dbraw/zinc/80/76/56/560807656.db2.gz MHCSVBLIICKDAJ-LOSGSANQSA-N 0 0 401.576 3.913 50 10 HHCARN O=C(C1=CN(c2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000048988485 568444077 /nfs/dbraw/zinc/44/40/77/568444077.db2.gz YBLWTEHHVKYKQO-UHFFFAOYSA-N 0 0 404.438 3.744 50 10 HHCARN Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2ccc4c(c2)OCO4)C1)CCCC3 ZINC000012297042 568462981 /nfs/dbraw/zinc/46/29/81/568462981.db2.gz JCHCHMVVCHQLIH-MRXNPFEDSA-N 0 0 418.449 3.853 50 10 biogenic HHCARN COc1cc(Br)c(C=C2SC(NC3CCCC3)=NC2=O)cc1OC ZINC000096121207 568699479 /nfs/dbraw/zinc/69/94/79/568699479.db2.gz KTGOZGOYUCPERA-OVCLIPMQSA-N 0 0 411.321 3.969 50 10 HHCARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O ZINC000229949202 568715882 /nfs/dbraw/zinc/71/58/82/568715882.db2.gz VXCHZEGCOJVBAY-BHDDXSALSA-N 0 0 400.434 3.752 50 10 HHCARN Cn1cc(/C=C\C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cn1 ZINC000096403119 568750483 /nfs/dbraw/zinc/75/04/83/568750483.db2.gz VZPVZMCZDDFYRM-VQDMZCOGSA-N 0 0 401.466 3.951 50 10 HHCARN COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)O1 ZINC000000975441 568759543 /nfs/dbraw/zinc/75/95/43/568759543.db2.gz DATHBCMIRGRYKE-RVDMUPIBSA-N 0 0 401.260 3.868 50 10 HHCARN Cc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000001006059 568762384 /nfs/dbraw/zinc/76/23/84/568762384.db2.gz XUCWKRBZWBXQBJ-PDGQHHTCSA-N 0 0 402.516 3.973 50 10 HHCARN CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000002590102 568785199 /nfs/dbraw/zinc/78/51/99/568785199.db2.gz YPENKMQBEUKQAL-GDNBJRDFSA-N 0 0 404.538 3.987 50 10 HHCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230046314 568804467 /nfs/dbraw/zinc/80/44/67/568804467.db2.gz YGUQTGVSSJXBSQ-PWRODBHTSA-N 0 0 404.397 3.582 50 10 HHCARN CCOc1ccc(C=C2SC(=S)NC2=O)cc1OC(=O)c1ccc(F)cc1 ZINC000003108341 568855930 /nfs/dbraw/zinc/85/59/30/568855930.db2.gz IIVXGSPMFHRAIN-MHWRWJLKSA-N 0 0 403.456 3.932 50 10 HHCARN CCOC(=O)C(=Cc1cc(C)n(-c2ccc(C(=O)OCC)cc2)c1C)C(=O)OCC ZINC000003181329 568860311 /nfs/dbraw/zinc/86/03/11/568860311.db2.gz VFGHCGWHRNOZMR-UHFFFAOYSA-N 0 0 413.470 3.780 50 10 HHCARN COc1cc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)ccc1O ZINC000015401546 568885589 /nfs/dbraw/zinc/88/55/89/568885589.db2.gz ZGKPIKRLSRTZPA-XSFVSMFZSA-N 0 0 409.511 3.502 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccccc1F ZINC000003414061 568898655 /nfs/dbraw/zinc/89/86/55/568898655.db2.gz JLBSTZTWGZMMHJ-HXUWFJFHSA-N 0 0 419.456 3.579 50 10 HHCARN Cc1cc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 ZINC000003460625 568907013 /nfs/dbraw/zinc/90/70/13/568907013.db2.gz RWYPULJVXVGFCF-QGZVFWFLSA-N 0 0 420.465 3.685 50 10 HHCARN COc1ccccc1NCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000003660762 568923655 /nfs/dbraw/zinc/92/36/55/568923655.db2.gz FXBADIGONKHGFJ-YBEGLDIGSA-N 0 0 401.469 3.874 50 10 HHCARN CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)s2)C(=O)N(C)C1=O ZINC000012766766 568948712 /nfs/dbraw/zinc/94/87/12/568948712.db2.gz ANIUNLCVNXWMSA-UHFFFAOYSA-N 0 0 405.273 3.611 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000008026864 568969280 /nfs/dbraw/zinc/96/92/80/568969280.db2.gz FVGOOPXPHUJBLP-JOCHJYFZSA-N 0 0 414.571 3.611 50 10 HHCARN CC(C)c1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2C3=O)cc1 ZINC000008236218 568984440 /nfs/dbraw/zinc/98/44/40/568984440.db2.gz UCVSOCMRUFMNOS-UHFFFAOYSA-N 0 0 411.461 3.634 50 10 HHCARN Cc1ccc([C@H](c2ccccc2O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012939019 569028066 /nfs/dbraw/zinc/02/80/66/569028066.db2.gz KQRSUJLLHDIRQM-XMMPIXPASA-N 0 0 422.550 3.797 50 10 HHCARN COc1ccc(C2(Nc3ccc([N+](=O)[O-])cc3OC)C(=O)c3ccccc3C2=O)cc1 ZINC000016216417 569029934 /nfs/dbraw/zinc/02/99/34/569029934.db2.gz PVBFVQDTVFVQOF-UHFFFAOYSA-N 0 0 418.405 3.999 50 10 HHCARN CN(Cc1ccccc1O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000089363618 569058698 /nfs/dbraw/zinc/05/86/98/569058698.db2.gz VPTHFFPLUPFFLR-UHFFFAOYSA-N 0 0 420.307 3.655 50 10 HHCARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC000006522971 569063159 /nfs/dbraw/zinc/06/31/59/569063159.db2.gz AVGZDESZBKNBEP-STXHMFSFSA-N 0 0 419.477 3.560 50 10 HHCARN Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccc(C)cc1 ZINC000006831020 569147239 /nfs/dbraw/zinc/14/72/39/569147239.db2.gz VRZKWJKMHTZBSY-UHFFFAOYSA-N 0 0 406.438 3.927 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1-c1ccc(F)cc1 ZINC000006903170 569178044 /nfs/dbraw/zinc/17/80/44/569178044.db2.gz TYPULOMEJMLMSB-UHFFFAOYSA-N 0 0 410.445 3.677 50 10 HHCARN CNC(=O)c1cccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 ZINC000007327664 569233680 /nfs/dbraw/zinc/23/36/80/569233680.db2.gz TXYGXLFBPRNWTO-UHFFFAOYSA-N 0 0 419.481 3.558 50 10 HHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(CN2CCOCC2)c2ccccc12 ZINC000013689772 569256999 /nfs/dbraw/zinc/25/69/99/569256999.db2.gz BTSUQXMTYBQNPH-JCMHNJIXSA-N 0 0 400.482 3.737 50 10 HHCARN Cn1c2cn(-c3ccc(N)cc3)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000002345762 569378393 /nfs/dbraw/zinc/37/83/93/569378393.db2.gz HSVXYXBQDTWHHM-UHFFFAOYSA-N 0 0 402.498 3.575 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000078800524 569420475 /nfs/dbraw/zinc/42/04/75/569420475.db2.gz ABJZQDDZSBJFPY-UNMCSNQZSA-N 0 0 414.933 3.917 50 10 HHCARN Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)OCCOc1ccccc1 ZINC000019793999 569430011 /nfs/dbraw/zinc/43/00/11/569430011.db2.gz TXYIPJQFNQGTEX-UHFFFAOYSA-N 0 0 411.454 3.515 50 10 HHCARN CC(=O)c1ccc(N2C(=O)C(=C3c4ccccc4N(C(C)=O)C3=O)SC2=S)cc1 ZINC000008821622 571121596 /nfs/dbraw/zinc/12/15/96/571121596.db2.gz NLPOGKLCOMZPHZ-ZCXUNETKSA-N 0 0 422.487 3.558 50 10 HHCARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000040104483 571165552 /nfs/dbraw/zinc/16/55/52/571165552.db2.gz PSQUUHBCLAKURX-UHFFFAOYSA-N 0 0 410.518 3.803 50 10 HHCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cc(F)ccc1F ZINC000009704171 571280662 /nfs/dbraw/zinc/28/06/62/571280662.db2.gz BEIQPHPBUQPMBD-UHFFFAOYSA-N 0 0 421.355 3.536 50 10 HHCARN CCN(CC)c1ccc(CN(C)C(=O)CN2C(=S)N=NC2c2cccs2)cc1 ZINC000009932567 571290945 /nfs/dbraw/zinc/29/09/45/571290945.db2.gz WZSNSEXQBMUUCX-UHFFFAOYSA-N 0 0 415.588 3.800 50 10 HHCARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 ZINC000010214110 571296842 /nfs/dbraw/zinc/29/68/42/571296842.db2.gz AZDPAGRZBYYUJK-LJQANCHMSA-N 0 0 411.889 3.928 50 10 HHCARN Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)n1 ZINC000001836341 571309582 /nfs/dbraw/zinc/30/95/82/571309582.db2.gz DXRWEMDRLHBETA-ZROIWOOFSA-N 0 0 403.554 3.990 50 10 HHCARN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 ZINC000254757742 970579594 /nfs/dbraw/zinc/57/95/94/970579594.db2.gz AVHJWOCLRQOFNJ-UHFFFAOYSA-N 0 0 415.457 3.801 50 10 HHCARN O=C(/C=C\c1cc(Br)ccc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000096401837 132227123 /nfs/dbraw/zinc/22/71/23/132227123.db2.gz IWTJJXHAQMMXBY-BAQGIRSFSA-N 0 0 419.294 3.754 50 10 HHCARN CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000001139142 132238781 /nfs/dbraw/zinc/23/87/81/132238781.db2.gz AVFPLXKZECNLLY-XSFVSMFZSA-N 0 0 414.465 3.718 50 10 HHCARN Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000001139138 132238818 /nfs/dbraw/zinc/23/88/18/132238818.db2.gz BIZMAAKZZYYRAX-XDHOZWIPSA-N 0 0 420.856 3.809 50 10 HHCARN Cc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1 ZINC000003315011 132264625 /nfs/dbraw/zinc/26/46/25/132264625.db2.gz ATVQSGBVRMKOON-UHFFFAOYSA-N 0 0 417.509 3.600 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 ZINC000008193018 132328428 /nfs/dbraw/zinc/32/84/28/132328428.db2.gz AVFWJQGDVIOTDY-UHFFFAOYSA-N 0 0 402.498 3.721 50 10 HHCARN O=S(=O)(c1ccc(/C=C/c2ccc(N3CCOCC3)cc2)s1)N1CCCC1 ZINC000008721445 132332536 /nfs/dbraw/zinc/33/25/36/132332536.db2.gz ZBDNIIONEOXOSS-VMPITWQZSA-N 0 0 404.557 3.540 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000010907012 132346719 /nfs/dbraw/zinc/34/67/19/132346719.db2.gz JAZZIOYRBXJYNJ-UHFFFAOYSA-N 0 0 402.922 3.993 50 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557198198 /nfs/dbraw/zinc/19/81/98/557198198.db2.gz BDNPXGFQXFBGET-VZWMTCDZSA-N 0 0 402.447 3.831 50 10 HHCARN COC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000001131421 557198514 /nfs/dbraw/zinc/19/85/14/557198514.db2.gz YQEORNLOZLFDEZ-WQRHYEAKSA-N 0 0 413.520 3.948 50 10 HHCARN CCN(CC)c1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1 ZINC000001198738 557238459 /nfs/dbraw/zinc/23/84/59/557238459.db2.gz ALLAESAMDYPUNF-PDGQHHTCSA-N 0 0 410.470 3.903 50 10 HHCARN O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000002186165 557324326 /nfs/dbraw/zinc/32/43/26/557324326.db2.gz GYPDCWQLXKGJJV-SEYXRHQNSA-N 0 0 421.297 3.766 50 10 HHCARN COc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1 ZINC000034684233 557387216 /nfs/dbraw/zinc/38/72/16/557387216.db2.gz WKFGYNMODZPGKO-UHFFFAOYSA-N 0 0 405.498 3.540 50 10 HHCARN COc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000002977441 557433567 /nfs/dbraw/zinc/43/35/67/557433567.db2.gz LJAOSAXMQJBUJS-AQTBWJFISA-N 0 0 401.509 3.984 50 10 HHCARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O ZINC000004687753 557581202 /nfs/dbraw/zinc/58/12/02/557581202.db2.gz ZKLGUTFXKPKTQT-VCHYOVAHSA-N 0 0 414.483 3.702 50 10 HHCARN CCCC[N@H+](CC)Cc1c(=O)n(C(=O)c2ccc(C)cc2)[n-]c1-c1ccccc1O ZINC000005503329 557658731 /nfs/dbraw/zinc/65/87/31/557658731.db2.gz RIAXRFLQRQLAQH-FQEVSTJZSA-N 0 0 407.514 3.826 50 10 HHCARN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]CCc1ccc(Cl)cc1 ZINC000009060029 557821136 /nfs/dbraw/zinc/82/11/36/557821136.db2.gz XGLZFKMXJBXWMK-QNGOZBTKSA-N 0 0 411.889 3.712 50 10 HHCARN COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546843 557823922 /nfs/dbraw/zinc/82/39/22/557823922.db2.gz KYPZNYQKXAMDOM-UWJYYQICSA-N 0 0 401.576 3.781 50 10 HHCARN Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000019926827 558308106 /nfs/dbraw/zinc/30/81/06/558308106.db2.gz XUWZKKASJSDUSI-QMHKHESXSA-N 0 0 422.554 3.718 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000229920830 558426833 /nfs/dbraw/zinc/42/68/33/558426833.db2.gz JAMOBUYVLGRRHV-OPYAIIAOSA-N 0 0 414.502 3.673 50 10 HHCARN CCCc1ccc([C@H](C)NC(=O)CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022751933 558507551 /nfs/dbraw/zinc/50/75/51/558507551.db2.gz XURAVEAAHWIYGF-NRFANRHFSA-N 0 0 422.617 3.700 50 10 HHCARN CN(C)c1ccc(CN2CCN(CC(=O)NC3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000022751995 558507658 /nfs/dbraw/zinc/50/76/58/558507658.db2.gz IGKAFBMBOILIRM-UHFFFAOYSA-N 0 0 414.638 3.591 50 10 HHCARN Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c(C)n1-c1ccccc1 ZINC000013062745 558509968 /nfs/dbraw/zinc/50/99/68/558509968.db2.gz QRRRLMCSSZIXDR-SFHVURJKSA-N 0 0 418.493 3.947 50 10 HHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccn1 ZINC000013802135 558594843 /nfs/dbraw/zinc/59/48/43/558594843.db2.gz CHOJVHNBAOPCKG-KAMYIIQDSA-N 0 0 403.916 3.965 50 10 HHCARN CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000015011063 558700319 /nfs/dbraw/zinc/70/03/19/558700319.db2.gz ZSIUYVLAIINCCB-YBEGLDIGSA-N 0 0 403.481 3.623 50 10 HHCARN Cc1nc(-c2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n(C)c2)cs1 ZINC000016237043 558780227 /nfs/dbraw/zinc/78/02/27/558780227.db2.gz ORUSIGIOZLWROB-UHFFFAOYSA-N 0 0 410.543 3.566 50 10 HHCARN CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O ZINC000016713838 558802022 /nfs/dbraw/zinc/80/20/22/558802022.db2.gz XGCHZXVYVVQBBK-LKKYZFDUSA-N 0 0 416.572 3.825 50 10 HHCARN C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000010648748 558836916 /nfs/dbraw/zinc/83/69/16/558836916.db2.gz WULOBJGWESDZKM-LBPRGKRZSA-N 0 0 418.478 3.508 50 10 HHCARN COc1ccc(N2CCN(S(=O)(=O)c3cc(C(C)C)c(C)cc3OC)CC2)cc1 ZINC000048044506 558842859 /nfs/dbraw/zinc/84/28/59/558842859.db2.gz JVNGFDACMBUELQ-UHFFFAOYSA-N 0 0 418.559 3.647 50 10 HHCARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000004703277 558912955 /nfs/dbraw/zinc/91/29/55/558912955.db2.gz VBLISXDSKVLOKF-UHFFFAOYSA-N 0 0 406.269 3.835 50 10 HHCARN COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1F ZINC000005013547 559228207 /nfs/dbraw/zinc/22/82/07/559228207.db2.gz DCVLMKLQAYERLL-DDGGNYNDSA-N 0 0 407.401 3.864 50 10 HHCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000005489503 560597878 /nfs/dbraw/zinc/59/78/78/560597878.db2.gz WCFGMTXQMLSWHH-CDUDSOLESA-N 0 0 408.443 3.560 50 10 HHCARN O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC(=S)N1c1ccccc1 ZINC000051330795 560875567 /nfs/dbraw/zinc/87/55/67/560875567.db2.gz XZZIXFGNOFHJCH-ZDLGFXPLSA-N 0 0 422.487 3.705 50 10 HHCARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)cc1 ZINC000020072834 568587722 /nfs/dbraw/zinc/58/77/22/568587722.db2.gz RDRISGPNFWZABN-UHFFFAOYSA-N 0 0 422.550 3.874 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 ZINC000020603838 568635978 /nfs/dbraw/zinc/63/59/78/568635978.db2.gz BDUDUSHZMQENTA-HXUWFJFHSA-N 0 0 421.463 3.575 50 10 HHCARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000000867168 568724130 /nfs/dbraw/zinc/72/41/30/568724130.db2.gz NIWOUELIZCNMFU-LJQANCHMSA-N 0 0 414.893 3.681 50 10 HHCARN CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000003024583 568726898 /nfs/dbraw/zinc/72/68/98/568726898.db2.gz XCRSOFNLADYFKK-MHWRWJLKSA-N 0 0 413.480 3.702 50 10 HHCARN CC[C@@H](C)N1C(=O)C(=CNCCC(c2ccccc2)c2ccccc2)C(=O)NC1=S ZINC000005925076 568829873 /nfs/dbraw/zinc/82/98/73/568829873.db2.gz JVZGDAKJKJVUNM-GFXBCDTMSA-N 0 0 421.566 3.724 50 10 HHCARN C[C@@H]1CN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn43)cc2F)C[C@H](C)O1 ZINC000057376718 568830283 /nfs/dbraw/zinc/83/02/83/568830283.db2.gz LBKZXPJJLLKWTK-OKILXGFUSA-N 0 0 416.884 3.670 50 10 HHCARN NC(=O)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005982230 568834244 /nfs/dbraw/zinc/83/42/44/568834244.db2.gz YOQHAMHOPZHVKA-UHFFFAOYSA-N 0 0 400.891 3.539 50 10 HHCARN Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000003249023 568848303 /nfs/dbraw/zinc/84/83/03/568848303.db2.gz KCQCSLDMLHFPJT-UHFFFAOYSA-N 0 0 411.389 3.937 50 10 HHCARN COc1ccc(N2CCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 ZINC000057547942 568852861 /nfs/dbraw/zinc/85/28/61/568852861.db2.gz UJLMQDJEOKZGBW-GOSISDBHSA-N 0 0 411.571 3.735 50 10 HHCARN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000003357400 568887204 /nfs/dbraw/zinc/88/72/04/568887204.db2.gz KONGGICHRYLFNW-UHFFFAOYSA-N 0 0 401.388 3.880 50 10 HHCARN Cc1cc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c(C)n1-c1ccccc1F ZINC000025670762 568908490 /nfs/dbraw/zinc/90/84/90/568908490.db2.gz WUFLOBICXHIETC-UHFFFAOYSA-N 0 0 419.453 3.996 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1cccnc1 ZINC000001269242 568909634 /nfs/dbraw/zinc/90/96/34/568909634.db2.gz QRCFJGBBYVJWBL-QPEQYQDCSA-N 0 0 410.307 3.935 50 10 HHCARN COc1cc(C(=O)NCCc2c(C)n3c4c2cccc4CCC3)cc(OC)c1OC ZINC000670462218 568952246 /nfs/dbraw/zinc/95/22/46/568952246.db2.gz SKYUJFMUBAIEAJ-UHFFFAOYSA-N 0 0 408.498 3.894 50 10 HHCARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCC(C)CC2)c1O ZINC000007986622 568964839 /nfs/dbraw/zinc/96/48/39/568964839.db2.gz JADJJZMOYWHRCD-GOSISDBHSA-N 0 0 413.543 3.872 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000008166146 568979763 /nfs/dbraw/zinc/97/97/63/568979763.db2.gz NJFOCADQXPFMEG-NRFANRHFSA-N 0 0 417.868 3.790 50 10 HHCARN CN(C)c1ccc(CNC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1 ZINC000008171246 568979890 /nfs/dbraw/zinc/97/98/90/568979890.db2.gz OGCNJHPDUGBMHJ-UHFFFAOYSA-N 0 0 423.538 3.684 50 10 HHCARN CN(C)c1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000015779207 569001685 /nfs/dbraw/zinc/00/16/85/569001685.db2.gz WHSZHGGQQYRKFM-UHFFFAOYSA-N 0 0 417.513 3.616 50 10 HHCARN Cc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccccc1 ZINC000015811835 569010043 /nfs/dbraw/zinc/01/00/43/569010043.db2.gz WKOKSRUTSKHUTF-KRWDZBQOSA-N 0 0 417.465 3.625 50 10 HHCARN Cc1ccc(OCCOCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000006213433 569033219 /nfs/dbraw/zinc/03/32/19/569033219.db2.gz PGPZPHUMYQJTEC-XMHGGMMESA-N 0 0 415.536 3.958 50 10 HHCARN CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000035561904 569045039 /nfs/dbraw/zinc/04/50/39/569045039.db2.gz XTAPFOSLWIYHCS-UHFFFAOYSA-N 0 0 418.541 3.793 50 10 HHCARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC000006522718 569063123 /nfs/dbraw/zinc/06/31/23/569063123.db2.gz AVGZDESZBKNBEP-SXGZJXTBSA-N 0 0 419.477 3.560 50 10 HHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)C[C@H](C)O1 ZINC000027025317 569070970 /nfs/dbraw/zinc/07/09/70/569070970.db2.gz HXJAJCWVRXGKEG-RZJAJNODSA-N 0 0 413.455 3.934 50 10 HHCARN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000006607376 569071715 /nfs/dbraw/zinc/07/17/15/569071715.db2.gz JSDHJZQZDHXQBL-UHFFFAOYSA-N 0 0 411.409 3.668 50 10 HHCARN O=C(Cc1cccn1-c1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000065170947 569189194 /nfs/dbraw/zinc/18/91/94/569189194.db2.gz PUZWJTUGXAYBOZ-UHFFFAOYSA-N 0 0 409.917 3.826 50 10 HHCARN O=C(NCc1ccc(C(F)(F)F)cc1)C1=C2CCCN2c2ccccc2S1(=O)=O 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O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000008820304 571121614 /nfs/dbraw/zinc/12/16/14/571121614.db2.gz XEVQVKPKVXSERZ-RVDMUPIBSA-N 0 0 417.468 3.808 50 10 HHCARN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(=O)NC1=S ZINC000009012605 571210883 /nfs/dbraw/zinc/21/08/83/571210883.db2.gz DJPAWGWQVLRQBD-MHWRWJLKSA-N 0 0 412.471 3.798 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 ZINC000009187030 571235212 /nfs/dbraw/zinc/23/52/12/571235212.db2.gz JFSKOOGRGYNCOA-NTEUORMPSA-N 0 0 419.871 3.794 50 10 HHCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCN1CCOCC1 ZINC000012897919 962344842 /nfs/dbraw/zinc/34/48/42/962344842.db2.gz DHNQTACPSUDZSB-UVTDQMKNSA-N 0 0 403.356 3.527 50 10 HHCARN O=C(/C=C\c1ccccc1)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000033881950 966414002 /nfs/dbraw/zinc/41/40/02/966414002.db2.gz JNIWRPRGXRMRDM-YPKPFQOOSA-N 0 0 411.413 3.657 50 10 HHCARN CCCCOc1ccc(-c2nc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n3n2)cc1 ZINC000254479131 970573248 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COc1ccc(N2CCN(CC(=O)Nc3nc(-c4ccc(C)cc4)cs3)CC2)cc1 ZINC000020567500 524424484 /nfs/dbraw/zinc/42/44/84/524424484.db2.gz FEQXHRPZNIVVCS-UHFFFAOYSA-N 0 0 422.554 3.888 50 10 HHCARN C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O ZINC000012523203 525659666 /nfs/dbraw/zinc/65/96/66/525659666.db2.gz RWEMWKNEQKMNIE-CABCVRRESA-N 0 0 419.503 3.894 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1ccccc1C ZINC000044030678 526203912 /nfs/dbraw/zinc/20/39/12/526203912.db2.gz RQVGJEDYNUZCGM-HSZRJFAPSA-N 0 0 405.454 3.645 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C3CC3)CC2)cc1 ZINC000006901905 536691346 /nfs/dbraw/zinc/69/13/46/536691346.db2.gz BSJYDUSVGGOAFA-UHFFFAOYSA-N 0 0 419.481 3.752 50 10 HHCARN COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)cc1 ZINC000001143020 536703595 /nfs/dbraw/zinc/70/35/95/536703595.db2.gz MKXVIYGNYABIER-UHFFFAOYSA-N 0 0 414.513 3.768 50 10 HHCARN CCN1C(=O)C(=Cc2cccn2-c2ccc(C)c(Cl)c2)C(=O)N(CC)C1=S ZINC000000661005 557043257 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558586078 /nfs/dbraw/zinc/58/60/78/558586078.db2.gz ZRCDVMAHXGHFSE-BOPFTXTBSA-N 0 0 413.524 3.517 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc(OC)c1OC ZINC000013750939 558589574 /nfs/dbraw/zinc/58/95/74/558589574.db2.gz JUMVZQONBHNLNO-SXGWCWSVSA-N 0 0 403.481 3.824 50 10 HHCARN COC(=O)c1ccc([C@@H](c2c(O)ccc3ccc(OC)cc32)N2CCOCC2)cc1 ZINC000025573268 558644358 /nfs/dbraw/zinc/64/43/58/558644358.db2.gz LOZKNCITSXWWFA-QHCPKHFHSA-N 0 0 407.466 3.762 50 10 HHCARN Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C(C)C ZINC000025718992 558648683 /nfs/dbraw/zinc/64/86/83/558648683.db2.gz LIUFBIDSHCVRES-UHFFFAOYSA-N 0 0 422.978 3.984 50 10 HHCARN CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)c2cc([N+](=O)[O-])ccc21 ZINC000015016643 558702263 /nfs/dbraw/zinc/70/22/63/558702263.db2.gz LLTDMSHEJHSQDV-FOCLMDBBSA-N 0 0 414.215 3.587 50 10 HHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000029759473 558720365 /nfs/dbraw/zinc/72/03/65/558720365.db2.gz WNBUTEGQDALIMP-UHFFFAOYSA-N 0 0 420.557 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HHCARN CCOc1ccc(-n2cccc2/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1 ZINC000004909279 559201373 /nfs/dbraw/zinc/20/13/73/559201373.db2.gz IMMWYULKMAVMHR-GQECEEOXSA-N 0 0 411.512 3.816 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000005017634 559228697 /nfs/dbraw/zinc/22/86/97/559228697.db2.gz MUYWCFYXDHYKRC-IPJJNNNSSA-N 0 0 414.502 3.673 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1OC ZINC000005477634 560594716 /nfs/dbraw/zinc/59/47/16/560594716.db2.gz DATLKRREYCZTGQ-WJDWOHSUSA-N 0 0 414.508 3.558 50 10 HHCARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000011437377 560772115 /nfs/dbraw/zinc/77/21/15/560772115.db2.gz DHJLFNMAUZAGKM-UHFFFAOYSA-N 0 0 423.425 3.806 50 10 HHCARN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000101673620 560797890 /nfs/dbraw/zinc/79/78/90/560797890.db2.gz IAAFZCIIMLNELA-RCCKNPSSSA-N 0 0 408.498 3.803 50 10 HHCARN COc1ccc(N2CCN(c3ccc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 ZINC000046914480 560879118 /nfs/dbraw/zinc/87/91/18/560879118.db2.gz WCUJCVXXIJMTGP-UHFFFAOYSA-N 0 0 414.469 3.529 50 10 HHCARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O ZINC000109018206 568420775 /nfs/dbraw/zinc/42/07/75/568420775.db2.gz RWEMWKNEQKMNIE-LSDHHAIUSA-N 0 0 419.503 3.894 50 10 HHCARN CCc1noc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)c([N+](=O)[O-])c2)n1 ZINC000020897993 568649314 /nfs/dbraw/zinc/64/93/14/568649314.db2.gz PUDSXFXMASNBGF-UHFFFAOYSA-N 0 0 409.446 3.542 50 10 HHCARN Cn1cc(/C=C\C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cn1 ZINC000096403117 568750513 /nfs/dbraw/zinc/75/05/13/568750513.db2.gz VZPVZMCZDDFYRM-CVNCVQKXSA-N 0 0 401.466 3.951 50 10 HHCARN CCn1c(=S)n(CN2CCN(c3ccc(OC)cc3)CC2)nc1-c1cccs1 ZINC000056552761 568811844 /nfs/dbraw/zinc/81/18/44/568811844.db2.gz FZRLTLGSFBGRHK-UHFFFAOYSA-N 0 0 415.588 3.951 50 10 HHCARN COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(F)cc3)c3ccco3)CC2)cc1 ZINC000056946134 568821691 /nfs/dbraw/zinc/82/16/91/568821691.db2.gz GNLOVWKJCVKCDY-JOCHJYFZSA-N 0 0 423.488 3.721 50 10 HHCARN Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)n1 ZINC000001181747 568822316 /nfs/dbraw/zinc/82/23/16/568822316.db2.gz DXRWEMDRLHBETA-NTEUORMPSA-N 0 0 403.554 3.990 50 10 HHCARN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000003047587 568849198 /nfs/dbraw/zinc/84/91/98/568849198.db2.gz PWBXQAFXEBOSQR-AWEZNQCLSA-N 0 0 414.449 3.519 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cncc(Br)c2)cc1 ZINC000012552407 568854212 /nfs/dbraw/zinc/85/42/12/568854212.db2.gz HLQVXKAKAZYEEG-LJQANCHMSA-N 0 0 418.335 3.732 50 10 HHCARN COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000003392280 568894511 /nfs/dbraw/zinc/89/45/11/568894511.db2.gz FZDGNXANZVEPGE-UHFFFAOYSA-N 0 0 407.422 3.871 50 10 HHCARN Cc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 ZINC000003460622 568906958 /nfs/dbraw/zinc/90/69/58/568906958.db2.gz RWYPULJVXVGFCF-KRWDZBQOSA-N 0 0 420.465 3.685 50 10 HHCARN C[C@@]12CC(=O)N[C@H]1N(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1O)C2 ZINC000004108706 568909593 /nfs/dbraw/zinc/90/95/93/568909593.db2.gz DOQSYCNJTJREJJ-UIAACRFSSA-N 0 0 404.388 3.851 50 10 HHCARN O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCN(c4cnccn4)CC3)c21 ZINC000218433807 568932416 /nfs/dbraw/zinc/93/24/16/568932416.db2.gz VSICHZVRXFVFQZ-UHFFFAOYSA-N 0 0 420.494 3.543 50 10 HHCARN CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 ZINC000004146289 568946558 /nfs/dbraw/zinc/94/65/58/568946558.db2.gz UVMIZIUMXKCDGQ-PTNGSMBKSA-N 0 0 410.271 3.603 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000004263512 568955896 /nfs/dbraw/zinc/95/58/96/568955896.db2.gz QXJJLDQPUYJJMJ-RQZCQDPDSA-N 0 0 416.568 3.956 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000008026851 568969342 /nfs/dbraw/zinc/96/93/42/568969342.db2.gz FVGOOPXPHUJBLP-QFIPXVFZSA-N 0 0 414.571 3.611 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000008405580 569001426 /nfs/dbraw/zinc/00/14/26/569001426.db2.gz WDKPHAMLUJZRCC-UGKGYDQZSA-N 0 0 408.498 3.562 50 10 HHCARN COc1ccc(/C=C2/SC(=S)N(C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000005513412 569018977 /nfs/dbraw/zinc/01/89/77/569018977.db2.gz PKIYAFFKRSNVDA-OQLLNIDSSA-N 0 0 400.437 3.645 50 10 HHCARN CCc1nnc(-c2ccc3ccn(CC(=O)NCc4ccc(N(C)C)cc4)c3c2)o1 ZINC000035462319 569038003 /nfs/dbraw/zinc/03/80/03/569038003.db2.gz BJVNSUQNPBPJBP-UHFFFAOYSA-N 0 0 403.486 3.636 50 10 HHCARN CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O ZINC000006324177 569043264 /nfs/dbraw/zinc/04/32/64/569043264.db2.gz RAAOZLXXUQGQLT-OJNRTJSBSA-N 0 0 416.572 3.825 50 10 HHCARN COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)c1 ZINC000035625122 569046670 /nfs/dbraw/zinc/04/66/70/569046670.db2.gz VCVJOKOIBXSMMG-RVDMUPIBSA-N 0 0 417.512 3.612 50 10 HHCARN CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2O)n1 ZINC000006490159 569059680 /nfs/dbraw/zinc/05/96/80/569059680.db2.gz FUFWVYWCZIHIDD-GOSISDBHSA-N 0 0 419.441 3.817 50 10 HHCARN CC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccccc1O)N2 ZINC000064775574 569093639 /nfs/dbraw/zinc/09/36/39/569093639.db2.gz PYARSQOMLASKCW-GOSISDBHSA-N 0 0 413.905 3.614 50 10 biogenic HHCARN COc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000065096298 569176767 /nfs/dbraw/zinc/17/67/67/569176767.db2.gz LHOYGZAJBLVQMK-UHFFFAOYSA-N 0 0 416.474 3.614 50 10 HHCARN Cc1noc([C@H](NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C(C)C)n1 ZINC000170625572 569250100 /nfs/dbraw/zinc/25/01/00/569250100.db2.gz MVFOMOGSHIKISE-HXUWFJFHSA-N 0 0 410.474 3.684 50 10 HHCARN CN1CCCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21 ZINC000016838331 569264029 /nfs/dbraw/zinc/26/40/29/569264029.db2.gz AAQWBVHPJIOPDP-QFIPXVFZSA-N 0 0 413.949 3.526 50 10 HHCARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2cc(OC)ccc2O)cc1 ZINC000027532150 569367251 /nfs/dbraw/zinc/36/72/51/569367251.db2.gz WBRRDHYTQGHVBF-UHFFFAOYSA-N 0 0 403.438 3.530 50 10 HHCARN COc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000027533489 569367986 /nfs/dbraw/zinc/36/79/86/569367986.db2.gz BROOMWOADUQPSJ-BKUYFWCQSA-N 0 0 401.491 3.873 50 10 HHCARN Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1-c1ccccn1 ZINC000008541859 571077341 /nfs/dbraw/zinc/07/73/41/571077341.db2.gz GQPVCHXIZDQVMA-UHFFFAOYSA-N 0 0 410.528 3.560 50 10 HHCARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2 ZINC000008824684 571122011 /nfs/dbraw/zinc/12/20/11/571122011.db2.gz MUTVSULNECLZLE-UHFFFAOYSA-N 0 0 423.425 3.739 50 10 HHCARN CN1C(=O)C(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)N(C)C1=O ZINC000008836327 571123108 /nfs/dbraw/zinc/12/31/08/571123108.db2.gz WHDDCRBMKXWXKV-UHFFFAOYSA-N 0 0 424.196 3.595 50 10 HHCARN CCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 ZINC000009444736 571259510 /nfs/dbraw/zinc/25/95/10/571259510.db2.gz JATUPGCHDDJPFY-JLHYYAGUSA-N 0 0 418.569 3.639 50 10 HHCARN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc(C)cc1 ZINC000009864675 571288915 /nfs/dbraw/zinc/28/89/15/571288915.db2.gz PKDAADCMKKJYTA-SFHVURJKSA-N 0 0 411.531 3.543 50 10 HHCARN O=c1cc(CSc2ncnc3c2cnn3-c2ccccc2)c2cc(O)c(O)cc2o1 ZINC000009981860 571293521 /nfs/dbraw/zinc/29/35/21/571293521.db2.gz ZFPTYUUCFACWHU-UHFFFAOYSA-N 0 0 418.434 3.625 50 10 HHCARN COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c([N+](=O)[O-])cc1OC ZINC000007699641 961290314 /nfs/dbraw/zinc/29/03/14/961290314.db2.gz RJFHUFLICFLCRJ-YRNVUSSQSA-N 0 0 413.817 3.920 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)[C@@H](O)CCCCCN4C)CC2)cc1 ZINC000257176239 970617614 /nfs/dbraw/zinc/61/76/14/970617614.db2.gz AGWQUQQJLOEZSN-DEOSSOPVSA-N 0 0 423.557 3.701 50 10 HHCARN COC(=O)/C=C\c1ccc(N(CCc2ccccn2)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000797439667 1074165572 /nfs/dbraw/zinc/16/55/72/1074165572.db2.gz CBLLILKFEXKNKT-NTMALXAHSA-N 0 0 418.453 3.820 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012634302 132365501 /nfs/dbraw/zinc/36/55/01/132365501.db2.gz WSOFZOOFPMZTNS-UHFFFAOYSA-N 0 0 415.342 3.651 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc4c(ccc5ccccc54)oc3=O)CC2)cc1 ZINC000016552381 132463972 /nfs/dbraw/zinc/46/39/72/132463972.db2.gz CFOUOBRKMXEMPZ-UHFFFAOYSA-N 0 0 414.461 3.917 50 10 HHCARN CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)ccc1O ZINC000001180868 520629432 /nfs/dbraw/zinc/62/94/32/520629432.db2.gz YFNHBEVOMUJLGS-UNOMPAQXSA-N 0 0 407.466 3.972 50 10 HHCARN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(O)c3)C2=O)cc1 ZINC000032708034 520850244 /nfs/dbraw/zinc/85/02/44/520850244.db2.gz KJCYENVFGNPACR-LICLKQGHSA-N 0 0 414.508 3.631 50 10 HHCARN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccc(Cl)c(C)c3)C(=N)N2O1 ZINC000032969678 520854658 /nfs/dbraw/zinc/85/46/58/520854658.db2.gz FELNZSDELLPWPV-ZTPJVXOPSA-N 0 0 410.861 3.979 50 10 HHCARN COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 ZINC000044085909 522052040 /nfs/dbraw/zinc/05/20/40/522052040.db2.gz KYBALLILRMHZHB-UHFFFAOYSA-N 0 0 424.364 3.674 50 10 HHCARN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000040149056 524085788 /nfs/dbraw/zinc/08/57/88/524085788.db2.gz YWLWGHDIODPLTD-KRWDZBQOSA-N 0 0 418.534 3.637 50 10 HHCARN COc1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c([N+](=O)[O-])c1 ZINC000004741152 536677997 /nfs/dbraw/zinc/67/79/97/536677997.db2.gz LOEOWYNWSUKXHL-UHFFFAOYSA-N 0 0 413.518 3.859 50 10 HHCARN COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3ccco3)CC4=O)CC2)cc1 ZINC000010156618 536701670 /nfs/dbraw/zinc/70/16/70/536701670.db2.gz YSFIWCREYINPBW-KRWDZBQOSA-N 0 0 418.497 3.626 50 10 HHCARN COc1ccc([C@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1 ZINC000027157269 536907305 /nfs/dbraw/zinc/90/73/05/536907305.db2.gz IEHAWRBBMYZYFQ-DEOSSOPVSA-N 0 0 423.557 3.911 50 10 HHCARN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC ZINC000001029075 557146197 /nfs/dbraw/zinc/14/61/97/557146197.db2.gz AYMGJUVBQWHEQY-SFQUDFHCSA-N 0 0 414.508 3.640 50 10 HHCARN CCN1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000001161304 557218522 /nfs/dbraw/zinc/21/85/22/557218522.db2.gz JHWQIFSIDOJZBH-VBKFSLOCSA-N 0 0 422.535 3.528 50 10 HHCARN COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001218757 557247441 /nfs/dbraw/zinc/24/74/41/557247441.db2.gz ONKCKRXQSTYFQX-PTNGSMBKSA-N 0 0 404.538 3.987 50 10 HHCARN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000001232932 557250044 /nfs/dbraw/zinc/25/00/44/557250044.db2.gz VMBXKJCIFLCWNO-UHFFFAOYSA-N 0 0 422.915 3.942 50 10 HHCARN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OS(C)(=O)=O)SC1=S ZINC000003001309 557440020 /nfs/dbraw/zinc/44/00/20/557440020.db2.gz CZSMPNCUOJFAMQ-WJDWOHSUSA-N 0 0 405.522 3.739 50 10 HHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000004321137 557540581 /nfs/dbraw/zinc/54/05/81/557540581.db2.gz KVXCJDBYPIEREP-QFIPXVFZSA-N 0 0 423.513 3.783 50 10 HHCARN COc1ccc(NCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000004571418 557568901 /nfs/dbraw/zinc/56/89/01/557568901.db2.gz ABLHTBMUUVAVNQ-RQZCQDPDSA-N 0 0 400.481 3.695 50 10 HHCARN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=Cc1ccc(N(C)C)cc1 ZINC000009720995 557849123 /nfs/dbraw/zinc/84/91/23/557849123.db2.gz CDHIOASFIWLNKB-FOWTUZBSSA-N 0 0 420.494 3.712 50 10 HHCARN Cn1cc(/C=C2/c3ccc(Cl)cc3N(CN3CCN(C)CC3)C2=O)c2ccccc21 ZINC000022785404 558510896 /nfs/dbraw/zinc/51/08/96/558510896.db2.gz NPWCLTJLIFSCMT-BKUYFWCQSA-N 0 0 420.944 3.924 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000023129467 558536884 /nfs/dbraw/zinc/53/68/84/558536884.db2.gz JYSIOJBYVOMGRR-UHFFFAOYSA-N 0 0 417.509 3.769 50 10 HHCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(N)c([N+](=O)[O-])c1 ZINC000013549104 558538495 /nfs/dbraw/zinc/53/84/95/558538495.db2.gz JXEXFOISPQKGBW-ZROIWOOFSA-N 0 0 416.235 3.658 50 10 HHCARN COc1ccc2cc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)c(=O)[nH]c2c1 ZINC000013692314 558573780 /nfs/dbraw/zinc/57/37/80/558573780.db2.gz PCBHLBLOTNMEHH-VCHYOVAHSA-N 0 0 424.503 3.951 50 10 HHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000024207832 558592112 /nfs/dbraw/zinc/59/21/12/558592112.db2.gz ALALAJXRZYJCCN-UHFFFAOYSA-N 0 0 419.525 3.712 50 10 HHCARN COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O ZINC000069897072 558592812 /nfs/dbraw/zinc/59/28/12/558592812.db2.gz HGSYFXUQAZJWLG-UHFFFAOYSA-N 0 0 408.502 3.744 50 10 HHCARN COc1ccc(Br)cc1/C=C1\SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O ZINC000013784871 558593113 /nfs/dbraw/zinc/59/31/13/558593113.db2.gz LZWXPMSBQBHKEF-QDLSESRGSA-N 0 0 411.321 3.537 50 10 HHCARN O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21)N1CCOCC1 ZINC000013801621 558594751 /nfs/dbraw/zinc/59/47/51/558594751.db2.gz BOXDQYQHYPJUCU-LVCYWYKZSA-N 0 0 405.454 3.894 50 10 HHCARN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)cc1 ZINC000027530577 558674092 /nfs/dbraw/zinc/67/40/92/558674092.db2.gz SVKJOONZZVJSDN-LFIBNONCSA-N 0 0 402.472 3.761 50 10 HHCARN Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000014932719 558679535 /nfs/dbraw/zinc/67/95/35/558679535.db2.gz XHHNYWQGOKRDHW-UHFFFAOYSA-N 0 0 404.445 3.742 50 10 HHCARN CN(C)c1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000015015251 558701692 /nfs/dbraw/zinc/70/16/92/558701692.db2.gz LRACLWPYFCTBOB-PGMHBOJBSA-N 0 0 406.555 3.541 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 ZINC000013619029 558848325 /nfs/dbraw/zinc/84/83/25/558848325.db2.gz NBAJQCJAQPLADZ-IDUWFGFVSA-N 0 0 401.465 3.838 50 10 HHCARN CCOc1ccc(N2CCN(CCNC(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000055545168 558882198 /nfs/dbraw/zinc/88/21/98/558882198.db2.gz TYXOCCAQPCVDSF-UHFFFAOYSA-N 0 0 412.603 3.811 50 10 HHCARN O=C(Nc1cccc(N2CCOC2=O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000058162032 558905940 /nfs/dbraw/zinc/90/59/40/558905940.db2.gz KLXXOHSLZMGEQW-IBGZPJMESA-N 0 0 411.458 3.562 50 10 HHCARN N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000004644047 558983247 /nfs/dbraw/zinc/98/32/47/558983247.db2.gz LCSYHIBGQPUSLN-ZSCJGDHMSA-N 0 0 422.491 3.925 50 10 HHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1ccccc1 ZINC000004745582 559046508 /nfs/dbraw/zinc/04/65/08/559046508.db2.gz ADHLAKGUFLWWEU-SAPNQHFASA-N 0 0 400.525 3.620 50 10 HHCARN 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COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000004689623 558899314 /nfs/dbraw/zinc/89/93/14/558899314.db2.gz OWXGOKPYAVKZEA-UHFFFAOYSA-N 0 0 402.362 3.631 50 10 HHCARN CCN1C(=O)C(=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S ZINC000001648694 559062086 /nfs/dbraw/zinc/06/20/86/559062086.db2.gz WUJCGRBBISIKPR-URDYEQAASA-N 0 0 409.555 3.776 50 10 HHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000023292386 559078928 /nfs/dbraw/zinc/07/89/28/559078928.db2.gz BFKGVQQUBHJZLJ-UHFFFAOYSA-N 0 0 408.527 3.655 50 10 HHCARN COc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000005124360 559248053 /nfs/dbraw/zinc/24/80/53/559248053.db2.gz MIFSANPRVZBRRT-UHFFFAOYSA-N 0 0 417.417 3.740 50 10 HHCARN Cc1nnc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)s1 ZINC000011270423 560771694 /nfs/dbraw/zinc/77/16/94/560771694.db2.gz XUJONYVKJNYAJN-UHFFFAOYSA-N 0 0 424.349 3.740 50 10 HHCARN CCOc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000048988617 568444073 /nfs/dbraw/zinc/44/40/73/568444073.db2.gz JBZRYNPCBADLOI-UHFFFAOYSA-N 0 0 416.474 3.614 50 10 HHCARN O=C(C1=CN(c2cccc(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 ZINC000049003866 568446553 /nfs/dbraw/zinc/44/65/53/568446553.db2.gz DCHQVSTYPFVRPZ-UHFFFAOYSA-N 0 0 406.866 3.868 50 10 HHCARN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C(=O)Nc1ccccc1)c1ccc(O)cc1 ZINC000390825649 568591020 /nfs/dbraw/zinc/59/10/20/568591020.db2.gz BCDRDMPKTRISKD-URKLREJBSA-N 0 0 418.449 3.655 50 10 HHCARN CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020238654 568595840 /nfs/dbraw/zinc/59/58/40/568595840.db2.gz AIJDQLNLTKCEGY-BJAVCCQXSA-N 0 0 411.399 3.502 50 10 HHCARN CCOC(=O)N1CCC2(CC1)N=C(c1cccc(O)c1)C[C@H](c1ccccc1O)N2 ZINC000080324957 568601515 /nfs/dbraw/zinc/60/15/15/568601515.db2.gz UHIMGYSJPPMABJ-HXUWFJFHSA-N 0 0 409.486 3.570 50 10 HHCARN CSc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000080324949 568601634 /nfs/dbraw/zinc/60/16/34/568601634.db2.gz KZCHNGYVDPQVLD-OAQYLSRUSA-N 0 0 409.555 3.976 50 10 HHCARN CC(C)c1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1 ZINC000021537473 568712764 /nfs/dbraw/zinc/71/27/64/568712764.db2.gz XVELKLJIDSOOJU-UHFFFAOYSA-N 0 0 409.471 3.532 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc4ccc5ccc(C)nc5c4[nH]3)CC2)cc1 ZINC000096319761 568728300 /nfs/dbraw/zinc/72/83/00/568728300.db2.gz JOIJQYVCSSEYCE-UHFFFAOYSA-N 0 0 400.482 3.996 50 10 HHCARN Cc1cccc(-n2c(CC(=O)NCc3ccc(N(C)C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000096387083 568743870 /nfs/dbraw/zinc/74/38/70/568743870.db2.gz SOWGXWOKERLKBT-QFIPXVFZSA-N 0 0 414.509 3.864 50 10 HHCARN CCOC(=O)c1sc(NC2=NC(=O)C(=Cc3ccc(OC)cc3)S2)nc1C ZINC000211058916 568762940 /nfs/dbraw/zinc/76/29/40/568762940.db2.gz BIHHGSDCGBPTPL-UKTHLTGXSA-N 0 0 403.485 3.719 50 10 HHCARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(N(C)C)cc1 ZINC000001097698 568769762 /nfs/dbraw/zinc/76/97/62/568769762.db2.gz DIKKTSHMADGVDR-NRFANRHFSA-N 0 0 421.522 3.713 50 10 HHCARN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1Br ZINC000002945828 568819966 /nfs/dbraw/zinc/81/99/66/568819966.db2.gz VNTJUHXVOKGQQL-MHWRWJLKSA-N 0 0 401.260 3.868 50 10 HHCARN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000057548043 568852880 /nfs/dbraw/zinc/85/28/80/568852880.db2.gz WFFWXEVNCVWGDA-OAHLLOKOSA-N 0 0 418.335 3.607 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003397068 568895473 /nfs/dbraw/zinc/89/54/73/568895473.db2.gz HGMJSXPCOJVHOA-UHFFFAOYSA-N 0 0 412.829 3.911 50 10 HHCARN O=C(C1=CN(c2cc(F)cc(F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 ZINC000263619372 568912276 /nfs/dbraw/zinc/91/22/76/568912276.db2.gz YLKDKJKETSUOMN-UHFFFAOYSA-N 0 0 422.428 3.883 50 10 HHCARN Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)no1 ZINC000006130690 569014136 /nfs/dbraw/zinc/01/41/36/569014136.db2.gz VTMVPNKJUHVFQZ-UKTHLTGXSA-N 0 0 407.904 3.866 50 10 HHCARN CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001767641 569052219 /nfs/dbraw/zinc/05/22/19/569052219.db2.gz FQVIRODMQFZZMA-WJDWOHSUSA-N 0 0 407.513 3.740 50 10 HHCARN Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(C)cc1 ZINC000006546642 569064783 /nfs/dbraw/zinc/06/47/83/569064783.db2.gz JRUCDGBNKLOONR-QHCPKHFHSA-N 0 0 405.450 3.968 50 10 HHCARN Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035960340 569068675 /nfs/dbraw/zinc/06/86/75/569068675.db2.gz PCNURHLYPBVWHN-OAQYLSRUSA-N 0 0 408.546 3.906 50 10 HHCARN O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1Cc1ccccc1 ZINC000054360785 569072236 /nfs/dbraw/zinc/07/22/36/569072236.db2.gz DJWDIJVFQBTSNN-LSCVHKIXSA-N 0 0 422.487 3.658 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2Cl)cc1 ZINC000006747947 569108668 /nfs/dbraw/zinc/10/86/68/569108668.db2.gz LHKFTIQWIZVMMU-LJQANCHMSA-N 0 0 402.922 3.993 50 10 HHCARN COc1ccc(N2CCN(C(=O)CCc3cn(C)nc3-c3ccc(F)cc3)CC2)cc1 ZINC000064861283 569109452 /nfs/dbraw/zinc/10/94/52/569109452.db2.gz RXEACZKMNFSBDT-UHFFFAOYSA-N 0 0 422.504 3.516 50 10 HHCARN CCOC(=O)c1cc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)ccc1Cl ZINC000006758464 569113027 /nfs/dbraw/zinc/11/30/27/569113027.db2.gz VYOGOPCVQQYQEX-UHFFFAOYSA-N 0 0 404.802 3.996 50 10 HHCARN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1 ZINC000065289475 569217881 /nfs/dbraw/zinc/21/78/81/569217881.db2.gz NFMCLHXAZKBAFS-FQEVSTJZSA-N 0 0 421.589 3.734 50 10 HHCARN CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1O ZINC000001768461 569320448 /nfs/dbraw/zinc/32/04/48/569320448.db2.gz JZVRSWDBBVUDLD-FOWTUZBSSA-N 0 0 409.529 3.726 50 10 HHCARN O=C1c2ccccc2N[C@@H](c2cccc(Br)c2O)N1C[C@@H]1CCCO1 ZINC000054681729 569371977 /nfs/dbraw/zinc/37/19/77/569371977.db2.gz XAZFSJNVTDYTDT-KPZWWZAWSA-N 0 0 403.276 3.900 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1 ZINC000008649108 571098169 /nfs/dbraw/zinc/09/81/69/571098169.db2.gz MFHVAYWRXLLTNE-ZROIWOOFSA-N 0 0 414.899 3.763 50 10 aggregator HHCARN O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccccc1Cl ZINC000008670775 571100346 /nfs/dbraw/zinc/10/03/46/571100346.db2.gz FJBRGFRNOVFDBP-ZROIWOOFSA-N 0 0 414.899 3.763 50 10 HHCARN NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000008843553 571124406 /nfs/dbraw/zinc/12/44/06/571124406.db2.gz XVCROCRRDDBBKI-NRFANRHFSA-N 0 0 411.458 3.534 50 10 HHCARN COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1O ZINC000009007987 571210100 /nfs/dbraw/zinc/21/01/00/571210100.db2.gz BNJJEGJYFCYZKL-OAHLLOKOSA-N 0 0 424.320 3.642 50 10 HHCARN CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2)SC1=S ZINC000009430181 571258218 /nfs/dbraw/zinc/25/82/18/571258218.db2.gz XKVJWJFMEZKGRY-YVLHZVERSA-N 0 0 422.487 3.876 50 10 HHCARN COc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000009570403 571268752 /nfs/dbraw/zinc/26/87/52/571268752.db2.gz OMTCNTCWBULAJN-UHFFFAOYSA-N 0 0 413.481 3.509 50 10 HHCARN CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)s1 ZINC000009804787 571285795 /nfs/dbraw/zinc/28/57/95/571285795.db2.gz DTTRGWAWIAUCJD-UHFFFAOYSA-N 0 0 414.472 3.536 50 10 HHCARN O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1cccnc1Cl ZINC000009983595 571293562 /nfs/dbraw/zinc/29/35/62/571293562.db2.gz IUWAEFAXNMZHAC-UHFFFAOYSA-N 0 0 422.824 3.596 50 10 HHCARN CCOc1ccc(N2CCN(CCNC(=O)Nc3cc(C)ccc3Cl)CC2)cc1 ZINC000005041862 960644255 /nfs/dbraw/zinc/64/42/55/960644255.db2.gz OVMCBRNECCOPSF-UHFFFAOYSA-N 0 0 416.953 3.991 50 10 HHCARN CC1CCN(c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])CC1 ZINC000003877002 132269019 /nfs/dbraw/zinc/26/90/19/132269019.db2.gz WWBFGNVMNZHKBQ-MOSHPQCFSA-N 0 0 420.494 3.601 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1 ZINC000006702616 132313118 /nfs/dbraw/zinc/31/31/18/132313118.db2.gz PYGTXBGQDQVBGC-UHFFFAOYSA-N 0 0 415.493 3.910 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000009322969 132338679 /nfs/dbraw/zinc/33/86/79/132338679.db2.gz LNDBSYANNHEGGN-UHFFFAOYSA-N 0 0 416.905 3.610 50 10 HHCARN COc1ccc(N2CCN(C(=O)Cc3cnc(-c4ccccc4F)s3)CC2)cc1 ZINC000012325003 132358700 /nfs/dbraw/zinc/35/87/00/132358700.db2.gz RYKGGRMPRIFVPH-UHFFFAOYSA-N 0 0 411.502 3.849 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1OC(F)(F)F ZINC000026534164 132489792 /nfs/dbraw/zinc/48/97/92/132489792.db2.gz QHXLGIOAXHYQPN-UHFFFAOYSA-N 0 0 423.435 3.763 50 10 HHCARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000000666544 557045921 /nfs/dbraw/zinc/04/59/21/557045921.db2.gz BDZPBHRUOBLCRC-FQEVSTJZSA-N 0 0 410.543 3.583 50 10 HHCARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000000666546 557045967 /nfs/dbraw/zinc/04/59/67/557045967.db2.gz BDZPBHRUOBLCRC-HXUWFJFHSA-N 0 0 410.543 3.583 50 10 HHCARN O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000000669793 557047812 /nfs/dbraw/zinc/04/78/12/557047812.db2.gz YKXHCUHLEQQJBE-UHFFFAOYSA-N 0 0 424.450 3.566 50 10 HHCARN CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1O ZINC000000680631 557055608 /nfs/dbraw/zinc/05/56/08/557055608.db2.gz LVOYQNAYSGJPGB-UHFFFAOYSA-N 0 0 411.248 3.697 50 10 HHCARN CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N(C)C1=S ZINC000001186839 557234433 /nfs/dbraw/zinc/23/44/33/557234433.db2.gz FSKZYIZGQVDESX-UHFFFAOYSA-N 0 0 400.887 3.518 50 10 HHCARN CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000001294216 557253972 /nfs/dbraw/zinc/25/39/72/557253972.db2.gz AFPVIZYHBLNPKV-VBKFSLOCSA-N 0 0 422.535 3.528 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccc(Br)cc1 ZINC000001811435 557290174 /nfs/dbraw/zinc/29/01/74/557290174.db2.gz FANSLGGBAXLDJW-XYOKQWHBSA-N 0 0 409.286 3.588 50 10 HHCARN Cc1cccc(OCCOCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000002962743 557431629 /nfs/dbraw/zinc/43/16/29/557431629.db2.gz WUXNQIUOGSAYOR-XMHGGMMESA-N 0 0 415.536 3.958 50 10 HHCARN COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 ZINC000002978066 557433854 /nfs/dbraw/zinc/43/38/54/557433854.db2.gz RGCPPVFSZLTXJA-AQTBWJFISA-N 0 0 401.509 3.984 50 10 HHCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O ZINC000002980582 557435181 /nfs/dbraw/zinc/43/51/81/557435181.db2.gz AIDXCQKQQWVGBN-ZROIWOOFSA-N 0 0 419.553 3.690 50 10 HHCARN Cc1cccc(N2C(=O)/C(=C/c3cccc(OS(C)(=O)=O)c3)SC2=S)c1 ZINC000003002166 557440041 /nfs/dbraw/zinc/44/00/41/557440041.db2.gz FZTNAGJLZGUIFU-WJDWOHSUSA-N 0 0 405.522 3.739 50 10 HHCARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Br)ccc2O)cc1 ZINC000004174237 557524432 /nfs/dbraw/zinc/52/44/32/557524432.db2.gz APBIGOKUUFWDRF-KRWDZBQOSA-N 0 0 416.275 3.730 50 10 HHCARN COC(=O)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000004482828 557558561 /nfs/dbraw/zinc/55/85/61/557558561.db2.gz UWXXNBNUKOQMCD-XNTDXEJSSA-N 0 0 400.437 3.787 50 10 HHCARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000004684763 557580991 /nfs/dbraw/zinc/58/09/91/557580991.db2.gz MJIGJULTTKHJGT-NRFANRHFSA-N 0 0 402.502 3.889 50 10 HHCARN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]CCc1c[nH]c2ccccc12 ZINC000004741356 557590786 /nfs/dbraw/zinc/59/07/86/557590786.db2.gz XIDZLKKBIHHYBT-KQWNVCNZSA-N 0 0 416.481 3.540 50 10 HHCARN CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=O ZINC000002905616 557771138 /nfs/dbraw/zinc/77/11/38/557771138.db2.gz PMOZNIFLGDKLCH-UHFFFAOYSA-N 0 0 407.857 3.777 50 10 biogenic HHCARN NC1=NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)S1 ZINC000008829721 557811273 /nfs/dbraw/zinc/81/12/73/557811273.db2.gz WHHBIURMEKIKFL-PDGQHHTCSA-N 0 0 410.476 3.537 50 10 aggregator HHCARN Cc1c(N2C(=O)[C@H](C)S[C@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000019926821 558308126 /nfs/dbraw/zinc/30/81/26/558308126.db2.gz XUWZKKASJSDUSI-HJPURHCSSA-N 0 0 422.554 3.718 50 10 HHCARN Cc1ccc(C(=O)NC2(NCc3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000020223541 558349024 /nfs/dbraw/zinc/34/90/24/558349024.db2.gz IIZJROTWYRTCJS-UHFFFAOYSA-N 0 0 418.880 3.944 50 10 HHCARN COc1ccc(-c2noc(C3C(C)=NC(=S)N[C@H]3c3ccc(N(C)C)cc3)n2)cc1 ZINC000020745519 558410332 /nfs/dbraw/zinc/41/03/32/558410332.db2.gz HORYQYUDNFEEEQ-IBGZPJMESA-N 0 0 421.526 3.761 50 10 HHCARN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000021866241 558452790 /nfs/dbraw/zinc/45/27/90/558452790.db2.gz FICIQCOABYCSFS-OAQYLSRUSA-N 0 0 409.555 3.959 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000013108054 558514583 /nfs/dbraw/zinc/51/45/83/558514583.db2.gz UMZPZGFYUZSIAM-UHFFFAOYSA-N 0 0 418.371 3.786 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 ZINC000013575682 558543422 /nfs/dbraw/zinc/54/34/22/558543422.db2.gz RXTJEZRBUCVXOX-YVLHZVERSA-N 0 0 422.487 3.633 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)ccc1Br ZINC000010907716 558557482 /nfs/dbraw/zinc/55/74/82/558557482.db2.gz JODYDWJYKPDELF-UHFFFAOYSA-N 0 0 407.283 3.697 50 10 HHCARN COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000013715056 558578730 /nfs/dbraw/zinc/57/87/30/558578730.db2.gz FSFHFLOKULNLHN-NVMNQCDNSA-N 0 0 415.492 3.834 50 10 HHCARN COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1OC ZINC000027530593 558674154 /nfs/dbraw/zinc/67/41/54/558674154.db2.gz UEDWMFYIMIHCFY-GZTJUZNOSA-N 0 0 414.508 3.544 50 10 HHCARN CN(C)c1ccc([C@@H](C(=O)NC(c2ccccc2)c2ccccc2)N2CCC2=O)cc1 ZINC000004551038 558683947 /nfs/dbraw/zinc/68/39/47/558683947.db2.gz VNFDRANKAWHZGX-VWLOTQADSA-N 0 0 413.521 3.932 50 10 HHCARN CC(C)c1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3)NC2=S)cc1 ZINC000015257174 558729983 /nfs/dbraw/zinc/72/99/83/558729983.db2.gz VLCAGSRLDBUBLB-RCCKNPSSSA-N 0 0 407.539 3.909 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000017167353 558824662 /nfs/dbraw/zinc/82/46/62/558824662.db2.gz ILUWZMULZHVXCJ-WQRHYEAKSA-N 0 0 407.422 3.691 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000004680642 558894079 /nfs/dbraw/zinc/89/40/79/558894079.db2.gz JAMOBUYVLGRRHV-LQWHRVPQSA-N 0 0 414.502 3.673 50 10 HHCARN COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000004746275 559046655 /nfs/dbraw/zinc/04/66/55/559046655.db2.gz AQCMHFRDUNFXMY-RVDMUPIBSA-N 0 0 404.538 3.987 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000100208123 559177599 /nfs/dbraw/zinc/17/75/99/559177599.db2.gz ILUWZMULZHVXCJ-WOJGMQOQSA-N 0 0 407.422 3.691 50 10 HHCARN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 ZINC000252537640 559278389 /nfs/dbraw/zinc/27/83/89/559278389.db2.gz LXRFCARZLWLFKT-APWZRJJASA-N 0 0 417.981 3.841 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3snc(-c4cccc(F)c4)c3N)CC2)cc1 ZINC000062007039 560566260 /nfs/dbraw/zinc/56/62/60/560566260.db2.gz NKNXRDYRFQMNMN-UHFFFAOYSA-N 0 0 412.490 3.502 50 10 HHCARN CN(C)c1ccc(/C=C/C(=O)NC(=O)c2ccccc2OC(=O)c2ccccc2)cc1 ZINC000005611167 560630164 /nfs/dbraw/zinc/63/01/64/560630164.db2.gz MIPGXPQZPVJECJ-SAPNQHFASA-N 0 0 414.461 3.942 50 10 HHCARN Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000024378713 560770442 /nfs/dbraw/zinc/77/04/42/560770442.db2.gz GXNFSTPSMNBQMM-UHFFFAOYSA-N 0 0 403.526 3.856 50 10 HHCARN O=C1C(=CNc2ccc(Cn3cncn3)cc2)SC(=S)N1CCc1ccccc1 ZINC000101491462 560795978 /nfs/dbraw/zinc/79/59/78/560795978.db2.gz NVHZCIZVPRMRBK-UNOMPAQXSA-N 0 0 421.551 3.683 50 10 HHCARN Cc1[n-]n(-c2ccc3nnc(C(F)(F)F)n3n2)c(=O)c1C=Nc1ccccc1Cl ZINC000101652312 560798023 /nfs/dbraw/zinc/79/80/23/560798023.db2.gz MWDZHGYIDJLLFC-CSKARUKUSA-N 0 0 421.770 3.515 50 10 HHCARN Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)c(C)n1-c1cccc(Cl)c1 ZINC000048345945 568441029 /nfs/dbraw/zinc/44/10/29/568441029.db2.gz JBTAAPPZWYZAOD-UHFFFAOYSA-N 0 0 424.932 3.909 50 10 HHCARN Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(c3ccc(O)cc3)SC2=NC1=O ZINC000049735584 568453233 /nfs/dbraw/zinc/45/32/33/568453233.db2.gz TZEBGIASPHVKPC-WZBMNHFVSA-N 0 0 401.451 3.849 50 10 HHCARN COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020238666 568595912 /nfs/dbraw/zinc/59/59/12/568595912.db2.gz LWBXCOVAGUFQEI-BJAVCCQXSA-N 0 0 411.399 3.502 50 10 HHCARN COc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)cc1 ZINC000020924717 568651302 /nfs/dbraw/zinc/65/13/02/568651302.db2.gz UGKASZQEQZPYJI-OAQYLSRUSA-N 0 0 415.449 3.835 50 10 HHCARN COc1ccc(N2CCN(c3cc(C)nc4nc(-c5cccc(C)c5)nn43)CC2)cc1 ZINC000021089460 568663851 /nfs/dbraw/zinc/66/38/51/568663851.db2.gz XTSCDAJCFJGPMG-UHFFFAOYSA-N 0 0 414.513 3.743 50 10 HHCARN Cc1cc(/C=C\C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000096188122 568703316 /nfs/dbraw/zinc/70/33/16/568703316.db2.gz TVJJVZOKVAJTNZ-XPTLAUCJSA-N 0 0 409.555 3.631 50 10 HHCARN CN(C)c1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000096386901 568743722 /nfs/dbraw/zinc/74/37/22/568743722.db2.gz NERYCBPYGKBKOI-NRFANRHFSA-N 0 0 400.482 3.556 50 10 HHCARN CCCCN1C(=O)C(=CNc2cccc(C)n2)C(=O)N(CCc2ccccc2)C1=O ZINC000096582157 568762666 /nfs/dbraw/zinc/76/26/66/568762666.db2.gz DXGJCAQTAUWSGT-KNTRCKAVSA-N 0 0 406.486 3.519 50 10 HHCARN COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(F)cc3)c3ccco3)CC2)cc1 ZINC000056946119 568821816 /nfs/dbraw/zinc/82/18/16/568821816.db2.gz GNLOVWKJCVKCDY-QFIPXVFZSA-N 0 0 423.488 3.721 50 10 HHCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)S3)CC2)cc1 ZINC000005851641 568825842 /nfs/dbraw/zinc/82/58/42/568825842.db2.gz HLTCCGGVOZWZQQ-XMHGGMMESA-N 0 0 408.483 3.696 50 10 HHCARN Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1F ZINC000012536812 568845787 /nfs/dbraw/zinc/84/57/87/568845787.db2.gz AIDDLCIEADIKBA-UHFFFAOYSA-N 0 0 404.445 3.742 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncc(Br)c2)cc1 ZINC000012552403 568854210 /nfs/dbraw/zinc/85/42/10/568854210.db2.gz HLQVXKAKAZYEEG-IBGZPJMESA-N 0 0 418.335 3.732 50 10 HHCARN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(C(=O)OC)=C1C ZINC000003652057 568866482 /nfs/dbraw/zinc/86/64/82/568866482.db2.gz BGTXWALRUTYDSH-MOSHPQCFSA-N 0 0 412.461 3.552 50 10 HHCARN CCCN1C(=O)C(=Cc2cc(Br)c(OCC)cc2OCC)NC1=S ZINC000003667709 568867264 /nfs/dbraw/zinc/86/72/64/568867264.db2.gz MWXJTFBXKKBEDC-LCYFTJDESA-N 0 0 413.337 3.714 50 10 HHCARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000003250504 568867768 /nfs/dbraw/zinc/86/77/68/568867768.db2.gz IFBMZOVYMQFMEH-UHFFFAOYSA-N 0 0 405.454 3.848 50 10 HHCARN Cc1cc(C(=O)[C@@H](C)Sc2nnnn2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003278829 568871245 /nfs/dbraw/zinc/87/12/45/568871245.db2.gz ZHVAFJYGWRGGCH-GFCCVEGCSA-N 0 0 407.446 3.583 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)ccc1OC(C)C ZINC000012635808 568883913 /nfs/dbraw/zinc/88/39/13/568883913.db2.gz XXDXHOPYJPKVQU-SXGWCWSVSA-N 0 0 409.529 3.635 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000003358321 568887210 /nfs/dbraw/zinc/88/72/10/568887210.db2.gz QUGWXFLHJBWUSJ-NRFANRHFSA-N 0 0 419.456 3.579 50 10 HHCARN COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1OC ZINC000001258658 568909172 /nfs/dbraw/zinc/90/91/72/568909172.db2.gz ZGBDIGUQYXBJMC-LZYBPNLTSA-N 0 0 401.465 3.838 50 10 HHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000001414825 568933583 /nfs/dbraw/zinc/93/35/83/568933583.db2.gz LMSMWFLDNQJLHS-STZFKDTASA-N 0 0 403.507 3.992 50 10 HHCARN O=C(OC[C@H]1CC1(Cl)Cl)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000012895227 569020169 /nfs/dbraw/zinc/02/01/69/569020169.db2.gz SVWIGLSEIARTOF-SECBINFHSA-N 0 0 420.204 3.721 50 10 HHCARN COc1cccc(-c2csc(N=CC3C(=O)OC4(CCCCC4)OC3=O)n2)c1 ZINC000035592639 569045478 /nfs/dbraw/zinc/04/54/78/569045478.db2.gz ANBUIVVLDCNADX-UHFFFAOYSA-N 0 0 400.456 3.875 50 10 HHCARN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000001793493 569053285 /nfs/dbraw/zinc/05/32/85/569053285.db2.gz AOUMXQOYKUEUHZ-CLCOLTQESA-N 0 0 413.521 3.882 50 10 HHCARN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCCC)c(OC)c2)SC1=S ZINC000001809402 569053749 /nfs/dbraw/zinc/05/37/49/569053749.db2.gz TZQJBEMUHBFVBM-WJDWOHSUSA-N 0 0 409.529 3.638 50 10 HHCARN CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000006657484 569082983 /nfs/dbraw/zinc/08/29/83/569082983.db2.gz FSJZOCLKKIWVFF-HXUWFJFHSA-N 0 0 407.539 3.979 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000006747926 569108660 /nfs/dbraw/zinc/10/86/60/569108660.db2.gz LZZKRAOLSZYSRI-NRFANRHFSA-N 0 0 402.922 3.993 50 10 HHCARN Cc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1C ZINC000006943311 569186913 /nfs/dbraw/zinc/18/69/13/569186913.db2.gz ZYIPPRISBBTTBG-UHFFFAOYSA-N 0 0 413.429 3.874 50 10 HHCARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc2c1CCN2C(=O)C1CC1 ZINC000065209989 569196525 /nfs/dbraw/zinc/19/65/25/569196525.db2.gz NTIJLEQONJRZFK-UHFFFAOYSA-N 0 0 403.526 3.906 50 10 HHCARN Cc1ccc(-n2c(CC(=O)NCc3ccc(N(C)C)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000065307558 569219697 /nfs/dbraw/zinc/21/96/97/569219697.db2.gz MJDKJOVCBWXSHP-QFIPXVFZSA-N 0 0 414.509 3.864 50 10 HHCARN COc1ccc(-c2cnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1 ZINC000007423595 569237940 /nfs/dbraw/zinc/23/79/40/569237940.db2.gz MEJAGCHXTCJUQB-UHFFFAOYSA-N 0 0 422.554 3.537 50 10 HHCARN Cc1noc([C@@H](NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C(C)C)n1 ZINC000170625573 569250083 /nfs/dbraw/zinc/25/00/83/569250083.db2.gz MVFOMOGSHIKISE-FQEVSTJZSA-N 0 0 410.474 3.684 50 10 HHCARN CN1CCCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 ZINC000016838336 569264005 /nfs/dbraw/zinc/26/40/05/569264005.db2.gz QDZPGHKFOLRXBO-QFIPXVFZSA-N 0 0 413.949 3.526 50 10 HHCARN O=C1c2ccccc2N[C@@H](c2cccc(Br)c2O)N1C[C@H]1CCCO1 ZINC000054681736 569293812 /nfs/dbraw/zinc/29/38/12/569293812.db2.gz XAZFSJNVTDYTDT-KZULUSFZSA-N 0 0 403.276 3.900 50 10 HHCARN COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C ZINC000007734654 569304457 /nfs/dbraw/zinc/30/44/57/569304457.db2.gz PNCWIBNPQBZYLR-UHFFFAOYSA-N 0 0 410.543 3.796 50 10 HHCARN CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2)SC1=S ZINC000008990763 571206751 /nfs/dbraw/zinc/20/67/51/571206751.db2.gz KKOXQSHLSLSBTD-YVLHZVERSA-N 0 0 406.492 3.713 50 10 HHCARN Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000016265831 962996567 /nfs/dbraw/zinc/99/65/67/962996567.db2.gz QBXWHJCZXSBFMI-NDENLUEZSA-N 0 0 419.506 3.822 50 10 HHCARN CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000000642061 132229573 /nfs/dbraw/zinc/22/95/73/132229573.db2.gz GRIAGFHAJQSJQC-LGMDPLHJSA-N 0 0 410.495 3.658 50 10 HHCARN O=C(/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1)N1CCOCC1 ZINC000007488846 132324637 /nfs/dbraw/zinc/32/46/37/132324637.db2.gz JDHZAFKIMNTXPY-DYTRJAOYSA-N 0 0 416.525 3.953 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000010308329 132345874 /nfs/dbraw/zinc/34/58/74/132345874.db2.gz AXZZGMPKNXAYEA-UHFFFAOYSA-N 0 0 410.905 3.839 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000010906764 132346725 /nfs/dbraw/zinc/34/67/25/132346725.db2.gz LASFGKSZIGSHRU-UHFFFAOYSA-N 0 0 409.313 3.867 50 10 HHCARN COc1ccc2c(c1)CCCN2CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000032858071 525513362 /nfs/dbraw/zinc/51/33/62/525513362.db2.gz WHGWNLKVDXOMJN-UHFFFAOYSA-N 0 0 410.905 3.985 50 10 HHCARN Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000019926830 525824127 /nfs/dbraw/zinc/82/41/27/525824127.db2.gz XUWZKKASJSDUSI-WAIKUNEKSA-N 0 0 422.554 3.718 50 10 HHCARN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)cc1 ZINC000002850349 536688222 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3.532 50 10 HHCARN CCN(CC)c1ccc(CN(C(=O)C2CCC2)C(C)C)c(OS(=O)(=O)CC)c1 ZINC000006710657 569095826 /nfs/dbraw/zinc/09/58/26/569095826.db2.gz WUSQYSQTBCRSKT-UHFFFAOYSA-N 0 0 410.580 3.798 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000006747927 569108678 /nfs/dbraw/zinc/10/86/78/569108678.db2.gz LZZKRAOLSZYSRI-OAQYLSRUSA-N 0 0 402.922 3.993 50 10 HHCARN Cc1cc(N)c(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)cc1C ZINC000006804449 569131436 /nfs/dbraw/zinc/13/14/36/569131436.db2.gz ULKLPZPDKYHBFS-UHFFFAOYSA-N 0 0 408.889 3.547 50 10 HHCARN CN(C)c1ccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000006820269 569139309 /nfs/dbraw/zinc/13/93/09/569139309.db2.gz BZYVGBWGKAVVOJ-UHFFFAOYSA-N 0 0 410.396 3.798 50 10 HHCARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)c2ccc(F)cc2S1(=O)=O ZINC000064979258 569140834 /nfs/dbraw/zinc/14/08/34/569140834.db2.gz ZKXDBTLNBHQFLK-UHFFFAOYSA-N 0 0 401.337 3.784 50 10 HHCARN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1 ZINC000065289474 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Cc1cc(/C=C\C(=O)N2CCN(Cc3ccncc3)CC2)c(C)n1-c1ccccc1 ZINC000096861272 969052653 /nfs/dbraw/zinc/05/26/53/969052653.db2.gz BQPMSRVRCWEQIF-HJWRWDBZSA-N 0 0 400.526 3.847 50 10 HHCARN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000096879188 969053440 /nfs/dbraw/zinc/05/34/40/969053440.db2.gz WMIXKJBWISJNNN-YFHOEESVSA-N 0 0 404.558 3.820 50 10 HHCARN O=C(OCn1nnc2ccccc2c1=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000254555870 970573983 /nfs/dbraw/zinc/57/39/83/970573983.db2.gz OYWZFDQBFRAXLO-UHFFFAOYSA-N 0 0 401.382 3.727 50 10 HHCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCN(c3ccccc3)CC2)o1 ZINC000002597180 132255730 /nfs/dbraw/zinc/25/57/30/132255730.db2.gz UWPQMVSYIYHEFX-UHFFFAOYSA-N 0 0 422.481 3.750 50 10 HHCARN CCc1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 ZINC000009293241 132338215 /nfs/dbraw/zinc/33/82/15/132338215.db2.gz DTGYDOZUVZVMJX-HKWRFOASSA-N 0 0 422.510 3.950 50 10 HHCARN CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000012608331 132365235 /nfs/dbraw/zinc/36/52/35/132365235.db2.gz QLRKTABOZUMANP-UHFFFAOYSA-N 0 0 418.921 3.856 50 10 HHCARN Cc1cc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccccc1 ZINC000015811833 132462772 /nfs/dbraw/zinc/46/27/72/132462772.db2.gz WKOKSRUTSKHUTF-QGZVFWFLSA-N 0 0 417.465 3.625 50 10 HHCARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=N)N12 ZINC000020154799 525344788 /nfs/dbraw/zinc/34/47/88/525344788.db2.gz JAFMXMNWBCICCI-UHNSRKJASA-N 0 0 422.491 3.845 50 10 HHCARN COc1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000007496667 536705353 /nfs/dbraw/zinc/70/53/53/536705353.db2.gz OFEYYSRMSXAAPX-UHFFFAOYSA-N 0 0 404.894 3.981 50 10 HHCARN CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2O)n1 ZINC000000653873 557040153 /nfs/dbraw/zinc/04/01/53/557040153.db2.gz WRBGPQTZGJKYAD-AWEZNQCLSA-N 0 0 411.443 3.570 50 10 HHCARN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OC(=O)c1cccs1 ZINC000000660904 557043051 /nfs/dbraw/zinc/04/30/51/557043051.db2.gz CQRVPKZCGWGRBM-UHFFFAOYSA-N 0 0 402.424 3.586 50 10 HHCARN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(F)c1 ZINC000001112545 557184465 /nfs/dbraw/zinc/18/44/65/557184465.db2.gz MLDRQFLTJBHKIE-ODLFYWEKSA-N 0 0 414.458 3.910 50 10 HHCARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC(N)=O)cc3)S2)cc1Cl ZINC000001201164 557239483 /nfs/dbraw/zinc/23/94/83/557239483.db2.gz VBXXSYGVLIVMPS-PXNMLYILSA-N 0 0 401.875 3.595 50 10 HHCARN Cc1cc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)no1 ZINC000001205805 557240998 /nfs/dbraw/zinc/24/09/98/557240998.db2.gz RQCLQJOPOJWPGJ-DHDCSXOGSA-N 0 0 401.513 3.946 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccncc1 ZINC000001209090 557242673 /nfs/dbraw/zinc/24/26/73/557242673.db2.gz GFXLVEWNFVMATJ-JYRVWZFOSA-N 0 0 410.307 3.935 50 10 HHCARN COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001217861 557246878 /nfs/dbraw/zinc/24/68/78/557246878.db2.gz AZYJBQRKBLICMX-PTNGSMBKSA-N 0 0 404.538 3.987 50 10 HHCARN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 ZINC000001416578 557260175 /nfs/dbraw/zinc/26/01/75/557260175.db2.gz LKGCBVZDANBDQN-SFQUDFHCSA-N 0 0 414.508 3.640 50 10 HHCARN Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)NCc2ccco2)cc1 ZINC000002816270 557395257 /nfs/dbraw/zinc/39/52/57/557395257.db2.gz KXAKRTYPQKNYRW-PXLXIMEGSA-N 0 0 403.482 3.741 50 10 HHCARN CCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000004755607 557593565 /nfs/dbraw/zinc/59/35/65/557593565.db2.gz LAFBKUGLPHGJCQ-WTQAEKLLSA-N 0 0 404.532 3.954 50 10 HHCARN COC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 ZINC000005575853 557662801 /nfs/dbraw/zinc/66/28/01/557662801.db2.gz JGXMVELAPXVYQB-BOPFTXTBSA-N 0 0 414.259 3.954 50 10 HHCARN CN1CCc2cc([C@H](CNC(=O)c3cccc4ccccc43)N3CCOCC3)ccc21 ZINC000022733485 557807379 /nfs/dbraw/zinc/80/73/79/557807379.db2.gz VDSIZJBAXACNAQ-VWLOTQADSA-N 0 0 415.537 3.635 50 10 HHCARN CN1CCc2cc([C@H](CNC(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 ZINC000022733509 557807487 /nfs/dbraw/zinc/80/74/87/557807487.db2.gz LKQLXEOSYDAWDZ-VWLOTQADSA-N 0 0 415.537 3.635 50 10 HHCARN CCCc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022751928 558507661 /nfs/dbraw/zinc/50/76/61/558507661.db2.gz XURAVEAAHWIYGF-OAQYLSRUSA-N 0 0 422.617 3.700 50 10 HHCARN Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 ZINC000013715175 558578758 /nfs/dbraw/zinc/57/87/58/558578758.db2.gz NYTYRZVFQJJMCR-NVNXTCNLSA-N 0 0 416.572 3.680 50 10 HHCARN COc1ccc(N2C(=O)/C(=C\c3cc4ccc(OC)cc4[nH]c3=O)SC2=S)cc1 ZINC000013732692 558587127 /nfs/dbraw/zinc/58/71/27/558587127.db2.gz VBMFUFGGQVEVLR-VCHYOVAHSA-N 0 0 424.503 3.951 50 10 HHCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1F ZINC000013750695 558589661 /nfs/dbraw/zinc/58/96/61/558589661.db2.gz OHQXLPGMIWWSJL-NJDAHSKKSA-N 0 0 404.397 3.582 50 10 HHCARN CCN(CC)c1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 ZINC000013751596 558589885 /nfs/dbraw/zinc/58/98/85/558589885.db2.gz NZOWGMKKGKULCS-PDGQHHTCSA-N 0 0 410.930 3.865 50 10 HHCARN COc1ccc(CCN2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1OC ZINC000028296857 558698994 /nfs/dbraw/zinc/69/89/94/558698994.db2.gz XLYUDMWXVJVGOS-WOJGMQOQSA-N 0 0 417.508 3.559 50 10 HHCARN CC[C@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1O ZINC000072277403 558703459 /nfs/dbraw/zinc/70/34/59/558703459.db2.gz MWLQNLYQCNODOM-INIZCTEOSA-N 0 0 407.492 3.894 50 10 HHCARN COc1ccccc1OCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O ZINC000015769103 558752399 /nfs/dbraw/zinc/75/23/99/558752399.db2.gz PMIRNFPWPXIJTA-QGOAFFKASA-N 0 0 401.509 3.984 50 10 HHCARN CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O ZINC000016713836 558801989 /nfs/dbraw/zinc/80/19/89/558801989.db2.gz XGCHZXVYVVQBBK-WZMONFQBSA-N 0 0 416.572 3.825 50 10 HHCARN COc1ccc(CC2=NN3C(=NC(=O)/C(=C\c4ccc(C)cc4)C3=N)S2)cc1OC ZINC000013752218 558864227 /nfs/dbraw/zinc/86/42/27/558864227.db2.gz ZLYLMWGORRTOEG-BHBBQXGTSA-N 0 0 420.494 3.874 50 10 HHCARN Cc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)n1 ZINC000004676953 558888880 /nfs/dbraw/zinc/88/88/80/558888880.db2.gz GQXDVIOMQLLHEY-CAOOACKPSA-N 0 0 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ZINC000005098017 559245188 /nfs/dbraw/zinc/24/51/88/559245188.db2.gz NARJOUPPBGGIOT-MRXNPFEDSA-N 0 0 406.324 3.675 50 10 HHCARN CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000135682512 559276285 /nfs/dbraw/zinc/27/62/85/559276285.db2.gz JRJLYCYGHKJFHH-SLFFLAALSA-N 0 0 413.905 3.661 50 10 HHCARN COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000005234198 560547982 /nfs/dbraw/zinc/54/79/82/560547982.db2.gz JTQGJJGXYTYPKC-FOWTUZBSSA-N 0 0 402.497 3.908 50 10 HHCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C[C@@H](C)O1 ZINC000005234433 560547994 /nfs/dbraw/zinc/54/79/94/560547994.db2.gz UIXNUDFWMNUMMU-ZDFMGPMUSA-N 0 0 413.455 3.934 50 10 HHCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CC4)SC3=NC2=O)c(C)n1-c1ccc(O)cc1 ZINC000005377065 560574903 /nfs/dbraw/zinc/57/49/03/560574903.db2.gz MHMUJLBMPMDRBZ-QLAZQOFOSA-N 0 0 405.483 3.829 50 10 HHCARN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 ZINC000002967046 560732538 /nfs/dbraw/zinc/73/25/38/560732538.db2.gz JRDCAODQOQKVNW-LFIBNONCSA-N 0 0 405.522 3.594 50 10 HHCARN CCN(CC)CC[NH2+][C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)[O-] ZINC000101090852 560780452 /nfs/dbraw/zinc/78/04/52/560780452.db2.gz XGSYNUUIKPIDBT-ZELGORGJSA-N 0 0 411.506 3.815 50 10 HHCARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC000107548052 560851415 /nfs/dbraw/zinc/85/14/15/560851415.db2.gz AVGZDESZBKNBEP-QEEYODRMSA-N 0 0 419.477 3.560 50 10 HHCARN Cc1cc([C@@H](O)C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000048149659 568432164 /nfs/dbraw/zinc/43/21/64/568432164.db2.gz PDKSPOZOMLNKBV-MRXNPFEDSA-N 0 0 411.376 3.599 50 10 HHCARN CN(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000048988447 568444075 /nfs/dbraw/zinc/44/40/75/568444075.db2.gz GBVRWHCUDWIUBK-UHFFFAOYSA-N 0 0 411.527 3.532 50 10 HHCARN Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000049003896 568446497 /nfs/dbraw/zinc/44/64/97/568446497.db2.gz 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CCOC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001217729 568836525 /nfs/dbraw/zinc/83/65/25/568836525.db2.gz XCGRXPVWCAXTKN-RAXLEYEMSA-N 0 0 414.346 3.994 50 10 HHCARN CCN1C(=O)/C(=C/c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)SC1=S ZINC000003198582 568861159 /nfs/dbraw/zinc/86/11/59/568861159.db2.gz GWTVCEIPKALUSH-LCYFTJDESA-N 0 0 403.441 3.661 50 10 HHCARN COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000058021503 568878126 /nfs/dbraw/zinc/87/81/26/568878126.db2.gz UWKVGNAWYBCJTH-UHFFFAOYSA-N 0 0 402.926 3.601 50 10 HHCARN CSc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000003452389 568906007 /nfs/dbraw/zinc/90/60/07/568906007.db2.gz XECZLMMQWPRUIO-UHFFFAOYSA-N 0 0 424.478 3.979 50 10 HHCARN CCCCN1C(=O)/C(=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 ZINC000016731363 568937289 /nfs/dbraw/zinc/93/72/89/568937289.db2.gz GTLRBJQNUWJNMF-SEYXRHQNSA-N 0 0 411.346 3.797 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000004174703 568948470 /nfs/dbraw/zinc/94/84/70/568948470.db2.gz UENXMUBBMZAJIU-BOPFTXTBSA-N 0 0 414.508 3.631 50 10 HHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(O)c1 ZINC000004176455 568948829 /nfs/dbraw/zinc/94/88/29/568948829.db2.gz YMIGNJIDGVHTHH-YBEGLDIGSA-N 0 0 402.472 3.761 50 10 HHCARN C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)N1CCOCC1 ZINC000004181572 568949323 /nfs/dbraw/zinc/94/93/23/568949323.db2.gz HAWZVLQBIMYAJA-CYVLTUHYSA-N 0 0 404.495 3.653 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000007988468 568965832 /nfs/dbraw/zinc/96/58/32/568965832.db2.gz OSIPRUMTLNHLKW-MRXNPFEDSA-N 0 0 414.980 3.837 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000008067321 568971313 /nfs/dbraw/zinc/97/13/13/568971313.db2.gz NWLTUCVVMOPDRC-UHFFFAOYSA-N 0 0 409.313 3.804 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000008405573 569001379 /nfs/dbraw/zinc/00/13/79/569001379.db2.gz WDKPHAMLUJZRCC-DENIHFKCSA-N 0 0 408.498 3.562 50 10 HHCARN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@@H+]3CC[C@H](c4ccccc4)C3)c2oc1=O ZINC000085875419 569009558 /nfs/dbraw/zinc/00/95/58/569009558.db2.gz IUHARTVWJBCXCE-KRWDZBQOSA-N 0 0 407.466 3.512 50 10 biogenic HHCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn43)c2C)cc1 ZINC000006154126 569015479 /nfs/dbraw/zinc/01/54/79/569015479.db2.gz QTKBEULJRRIICP-UHFFFAOYSA-N 0 0 420.494 3.898 50 10 HHCARN CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 ZINC000001806896 569053535 /nfs/dbraw/zinc/05/35/35/569053535.db2.gz CTLQZEGMFHNWLM-RAXLEYEMSA-N 0 0 418.569 3.721 50 10 HHCARN CCOc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C(C)=O)C3=O)SC2=S)cc1 ZINC000001908092 569057833 /nfs/dbraw/zinc/05/78/33/569057833.db2.gz FYVTYMUFEXXFLI-ZCXUNETKSA-N 0 0 424.503 3.754 50 10 HHCARN COC(=O)C1=CN(c2ccc(Br)cc2)c2cc(F)ccc2S1(=O)=O ZINC000064979205 569140856 /nfs/dbraw/zinc/14/08/56/569140856.db2.gz WVJCGHHJYDSPBW-UHFFFAOYSA-N 0 0 412.236 3.528 50 10 HHCARN COC(=O)C1=CN(c2cc(C)c(Cl)cc2OC)c2cc(F)ccc2S1(=O)=O ZINC000064979217 569140906 /nfs/dbraw/zinc/14/09/06/569140906.db2.gz BCIMZGTYIHVLND-UHFFFAOYSA-N 0 0 411.838 3.736 50 10 HHCARN CC1CCN(C(=O)C2=CN(c3cccc(F)c3)c3ccccc3S2(=O)=O)CC1 ZINC000065096235 569176685 /nfs/dbraw/zinc/17/66/85/569176685.db2.gz XWVVPKFOPMXGLV-UHFFFAOYSA-N 0 0 400.475 3.851 50 10 HHCARN O=C(C1=CN(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 ZINC000065096273 569176759 /nfs/dbraw/zinc/17/67/59/569176759.db2.gz AUSIKWCPUIHHMY-UHFFFAOYSA-N 0 0 406.866 3.868 50 10 HHCARN COC(=O)c1ccc(NC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000006902063 569178066 /nfs/dbraw/zinc/17/80/66/569178066.db2.gz ARLIBFCFJQTXMV-UHFFFAOYSA-N 0 0 401.418 3.868 50 10 HHCARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007106354 569220184 /nfs/dbraw/zinc/22/01/84/569220184.db2.gz LQURSJGWMMSABS-UHFFFAOYSA-N 0 0 419.525 3.987 50 10 HHCARN O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 ZINC000004590106 569255549 /nfs/dbraw/zinc/25/55/49/569255549.db2.gz GICHZRQIKUVWJC-WJDWOHSUSA-N 0 0 402.453 3.541 50 10 HHCARN Cc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000004775694 569289157 /nfs/dbraw/zinc/28/91/57/569289157.db2.gz CEZBYXMUFMOPBK-UHFFFAOYSA-N 0 0 402.497 3.597 50 10 HHCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S3)CC2)c1 ZINC000002299961 569369925 /nfs/dbraw/zinc/36/99/25/569369925.db2.gz PPOLVAWXXDEDIP-RGEXLXHISA-N 0 0 408.483 3.696 50 10 HHCARN Cc1ccc2ccc(/C=C/c3ccc(N(C)C)cc3)[n+](CCCS(=O)(=O)[O-])c2c1 ZINC000027551576 569372662 /nfs/dbraw/zinc/37/26/62/569372662.db2.gz KXQKICVYTOGUSX-UHFFFAOYSA-O 0 0 411.547 3.950 50 10 HHCARN CCOc1ccc(Br)cc1/C=C1\NC(=S)N(Cc2cccnc2)C1=O ZINC000012860610 569404174 /nfs/dbraw/zinc/40/41/74/569404174.db2.gz KNBVOPQEYQBQBA-DHDCSXOGSA-N 0 0 418.316 3.501 50 10 HHCARN CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O ZINC000238900593 571046669 /nfs/dbraw/zinc/04/66/69/571046669.db2.gz JRJLYCYGHKJFHH-VAMGGRTRSA-N 0 0 413.905 3.661 50 10 HHCARN CSc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000038655242 571052966 /nfs/dbraw/zinc/05/29/66/571052966.db2.gz IXUBHBWVNKNQSH-UHFFFAOYSA-N 0 0 400.525 3.798 50 10 HHCARN Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1cccc(F)c1 ZINC000008761514 571114047 /nfs/dbraw/zinc/11/40/47/571114047.db2.gz PIHSKPJWQXPQOK-UHFFFAOYSA-N 0 0 420.400 3.734 50 10 HHCARN CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)SC1=S ZINC000009058958 571216968 /nfs/dbraw/zinc/21/69/68/571216968.db2.gz SJIWQEBUXPRVAC-UNOMPAQXSA-N 0 0 421.547 3.971 50 10 HHCARN O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000009283703 571244785 /nfs/dbraw/zinc/24/47/85/571244785.db2.gz KUDKCLMVESHFLZ-UHFFFAOYSA-N 0 0 421.355 3.536 50 10 HHCARN CCc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)N(C)C2=S)cc1 ZINC000001185706 132241030 /nfs/dbraw/zinc/24/10/30/132241030.db2.gz BZHDVDYQPSTCHJ-CPNJWEJPSA-N 0 0 403.507 3.914 50 10 HHCARN CCn1ncc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C ZINC000002797468 132258004 /nfs/dbraw/zinc/25/80/04/132258004.db2.gz SQGABPRMZLLATL-UHFFFAOYSA-N 0 0 416.506 3.960 50 10 HHCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3N(C)C(C)(C)C2=S)S1 ZINC000003880327 132268987 /nfs/dbraw/zinc/26/89/87/132268987.db2.gz RXCLTQLRIDLRHI-UHFFFAOYSA-N 0 0 421.565 3.991 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)cc1 ZINC000006702172 132313137 /nfs/dbraw/zinc/31/31/37/132313137.db2.gz ZFEOACQCGORZBS-UHFFFAOYSA-N 0 0 405.454 3.503 50 10 HHCARN CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007885106 132326218 /nfs/dbraw/zinc/32/62/18/132326218.db2.gz OCAPDHLMPMVDBW-QHCPKHFHSA-N 0 0 417.465 3.615 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000008129918 132327648 /nfs/dbraw/zinc/32/76/48/132327648.db2.gz LJBOOZMJLCEDIM-UHFFFAOYSA-N 0 0 419.481 3.641 50 10 HHCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(N(C)C)cc4)S3)CC2)c1 ZINC000012378261 132359264 /nfs/dbraw/zinc/35/92/64/132359264.db2.gz NYBDEGCOSDYZCC-LTGZKZEYSA-N 0 0 406.555 3.854 50 10 HHCARN CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000012554926 132363509 /nfs/dbraw/zinc/36/35/09/132363509.db2.gz NOQQQGHZYCLFHO-SFHVURJKSA-N 0 0 402.560 3.857 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000012556463 132363742 /nfs/dbraw/zinc/36/37/42/132363742.db2.gz BFGYUPMDFKFVRT-UHFFFAOYSA-N 0 0 415.342 3.651 50 10 HHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000012585608 132364530 /nfs/dbraw/zinc/36/45/30/132364530.db2.gz YALQTJDHNPKUSC-UHFFFAOYSA-N 0 0 421.541 3.841 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000016134436 132463548 /nfs/dbraw/zinc/46/35/48/132463548.db2.gz VPLVBONSCBDQQB-UHFFFAOYSA-N 0 0 400.906 3.798 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000022665202 132475345 /nfs/dbraw/zinc/47/53/45/132475345.db2.gz CFGXFEUHAYDEAR-VWLOTQADSA-N 0 0 420.601 3.922 50 10 HHCARN CN1CCN(c2cc(N3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737882 536420276 /nfs/dbraw/zinc/42/02/76/536420276.db2.gz ZMINEAYGAOTBFV-UHFFFAOYSA-N 0 0 402.498 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557666341 /nfs/dbraw/zinc/66/63/41/557666341.db2.gz FJJXUEHTTSLYMN-UHFFFAOYSA-N 0 0 406.467 3.618 50 10 HHCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 ZINC000022664856 557713624 /nfs/dbraw/zinc/71/36/24/557713624.db2.gz LBNAZPFXBZWTJI-XMMPIXPASA-N 0 0 403.526 3.709 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 ZINC000022665401 557714041 /nfs/dbraw/zinc/71/40/41/557714041.db2.gz DYZKBGMPLKLOER-QHCPKHFHSA-N 0 0 408.590 3.778 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000003018347 557784546 /nfs/dbraw/zinc/78/45/46/557784546.db2.gz LFACTGPSVPMQGQ-ZSOIEALJSA-N 0 0 419.871 3.794 50 10 HHCARN Cc1cc(Br)c(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1C ZINC000008441538 557789613 /nfs/dbraw/zinc/78/96/13/557789613.db2.gz XLYMJQNAPXSRFX-UHFFFAOYSA-N 0 0 417.259 3.760 50 10 HHCARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000022714804 558506350 /nfs/dbraw/zinc/50/63/50/558506350.db2.gz 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CCCc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)s1 ZINC000033011209 558830423 /nfs/dbraw/zinc/83/04/23/558830423.db2.gz HXSMMXZKHAAICV-UHFFFAOYSA-N 0 0 423.542 3.739 50 10 HHCARN COc1ccc(N2CCCN(C(=O)NCc3sccc3Br)CC2)cc1 ZINC000058587586 558928680 /nfs/dbraw/zinc/92/86/80/558928680.db2.gz PHWWUQGMSVVOJG-UHFFFAOYSA-N 0 0 424.364 3.941 50 10 HHCARN COc1ccc2occ(/C=C3/C(=O)N=C4Sc5ccccc5N4C3=N)c(=O)c2c1 ZINC000004635871 558947060 /nfs/dbraw/zinc/94/70/60/558947060.db2.gz SQXURLNKEAMYMR-RCTVDGIPSA-N 0 0 403.419 3.671 50 10 HHCARN CN(C)c1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)cc1 ZINC000033313093 559055171 /nfs/dbraw/zinc/05/51/71/559055171.db2.gz RLNPXBMJYBLLPN-UHFFFAOYSA-N 0 0 401.514 3.740 50 10 HHCARN COc1ccc(NC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)cc1 ZINC000091270661 559070840 /nfs/dbraw/zinc/07/08/40/559070840.db2.gz QBALWALXEXFCCR-XNTDXEJSSA-N 0 0 406.320 3.864 50 10 HHCARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000100060445 559129309 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ZINC000001747108 569051714 /nfs/dbraw/zinc/05/17/14/569051714.db2.gz VALXGZCPXKEBPA-YPKPFQOOSA-N 0 0 416.256 3.559 50 10 HHCARN CCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1OC ZINC000001766351 569052225 /nfs/dbraw/zinc/05/22/25/569052225.db2.gz WQJYCMLQFVAWIC-LFIBNONCSA-N 0 0 409.529 3.638 50 10 HHCARN COCCNc1cc(NCc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006664387 569086094 /nfs/dbraw/zinc/08/60/94/569086094.db2.gz WDHHPQMCIRCYDK-UHFFFAOYSA-N 0 0 401.466 3.715 50 10 HHCARN CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)C(C)C)c(OS(C)(=O)=O)c1 ZINC000006709498 569095639 /nfs/dbraw/zinc/09/56/39/569095639.db2.gz RBLOURABJBZFEI-UHFFFAOYSA-N 0 0 422.547 3.649 50 10 HHCARN CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccco3)SC2=S)cc1 ZINC000006857200 569155699 /nfs/dbraw/zinc/15/56/99/569155699.db2.gz FGUCXKSJJAUAGS-WJDWOHSUSA-N 0 0 400.481 3.712 50 10 HHCARN Cc1ccc(-n2c(CC(=O)NCc3ccc(N(C)C)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000065307557 569219689 /nfs/dbraw/zinc/21/96/89/569219689.db2.gz MJDKJOVCBWXSHP-JOCHJYFZSA-N 0 0 414.509 3.864 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000007238842 569230171 /nfs/dbraw/zinc/23/01/71/569230171.db2.gz SCCDPXKBPQVVSG-GOSISDBHSA-N 0 0 401.894 3.897 50 10 HHCARN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)ccc1O ZINC000071816292 569254513 /nfs/dbraw/zinc/25/45/13/569254513.db2.gz PSYXGBZHIUJMSD-UHFFFAOYSA-N 0 0 414.811 3.831 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OC(=O)c1ccco1 ZINC000001118596 569277355 /nfs/dbraw/zinc/27/73/55/569277355.db2.gz GJBQERCFGJFHAV-JYRVWZFOSA-N 0 0 409.872 3.992 50 10 HHCARN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncoc1-c1ccccc1Cl ZINC000170640176 569282131 /nfs/dbraw/zinc/28/21/31/569282131.db2.gz OTQKJRLHZDGUMV-UHFFFAOYSA-N 0 0 415.852 3.901 50 10 HHCARN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000027551241 569372675 /nfs/dbraw/zinc/37/26/75/569372675.db2.gz FRNJJHIJSKNWFM-MOSHPQCFSA-N 0 0 421.478 3.709 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(Cl)cc1Cl ZINC000008766440 571115610 /nfs/dbraw/zinc/11/56/10/571115610.db2.gz BZDCROWELPOIRR-JYRVWZFOSA-N 0 0 410.307 3.935 50 10 HHCARN COc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000068678540 571134365 /nfs/dbraw/zinc/13/43/65/571134365.db2.gz YOCVQDXJNDKUNX-LJQANCHMSA-N 0 0 403.526 3.848 50 10 HHCARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1C ZINC000009232329 571239789 /nfs/dbraw/zinc/23/97/89/571239789.db2.gz SOEHSVKBDBMRNL-WOJGMQOQSA-N 0 0 409.536 3.900 50 10 HHCARN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C/c4cccc([N+](=O)[O-])c4)C3=N)S2)c1 ZINC000016264934 962997235 /nfs/dbraw/zinc/99/72/35/962997235.db2.gz WQZCNKGDVNDMQB-VGZNWPKRSA-N 0 0 421.438 3.601 50 10 HHCARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc(OC)ccc3O)N2C1=O ZINC000022204891 963610017 /nfs/dbraw/zinc/61/00/17/963610017.db2.gz UIAZRTMEJSNYAT-KNQAVFIVSA-N 0 0 419.481 3.961 50 10 HHCARN O=C1/C(=C\c2ccc(-c3ccccc3)cc2)SC(=S)N1CCN1CCOCC1 ZINC000096019598 969042224 /nfs/dbraw/zinc/04/22/24/969042224.db2.gz HTCXQTBDMYWNRY-CAPFRKAQSA-N 0 0 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10 HHCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)[C@@H]1CCCO1 ZINC000036359724 569151603 /nfs/dbraw/zinc/15/16/03/569151603.db2.gz LEIZQPIZWYBTSU-NRFANRHFSA-N 0 0 406.486 3.573 50 10 HHCARN COc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298316 569219294 /nfs/dbraw/zinc/21/92/94/569219294.db2.gz XGFHQYVSMUMPRR-JOCHJYFZSA-N 0 0 421.541 3.880 50 10 biogenic HHCARN O=C1c2ccccc2N[C@H](c2cccc(Br)c2O)N1C[C@@H]1CCCO1 ZINC000054681732 569293823 /nfs/dbraw/zinc/29/38/23/569293823.db2.gz XAZFSJNVTDYTDT-SGTLLEGYSA-N 0 0 403.276 3.900 50 10 HHCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(=O)n3C3CC3)c2C)cc1 ZINC000008504173 571062940 /nfs/dbraw/zinc/06/29/40/571062940.db2.gz SMAXIQPTBLSXLO-UHFFFAOYSA-N 0 0 412.515 3.688 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1cccc(Cl)c1 ZINC000008666101 571099972 /nfs/dbraw/zinc/09/99/72/571099972.db2.gz GPJJDLAEOMLTON-ZROIWOOFSA-N 0 0 414.899 3.763 50 10 aggregator HHCARN CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 ZINC000008820273 571121710 /nfs/dbraw/zinc/12/17/10/571121710.db2.gz DJCGRVYTMUHAFT-FMIVXFBMSA-N 0 0 422.557 3.560 50 10 HHCARN O=C1C(=CNc2ccc(Cn3cncn3)cc2)SC(=S)N1CCc1ccccc1 ZINC000008993581 571207890 /nfs/dbraw/zinc/20/78/90/571207890.db2.gz NVHZCIZVPRMRBK-XDHOZWIPSA-N 0 0 421.551 3.683 50 10 HHCARN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)c3ccc(N4CCCC4=O)cc3)sc2n1 ZINC000009117734 571224610 /nfs/dbraw/zinc/22/46/10/571224610.db2.gz LACZCXLWXNGIPL-UHFFFAOYSA-N 0 0 423.494 3.662 50 10 HHCARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2nccnc2c1 ZINC000009476826 571261671 /nfs/dbraw/zinc/26/16/71/571261671.db2.gz AUMCUXYKOUFYNG-ATVHPVEESA-N 0 0 424.507 3.843 50 10 HHCARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000009871996 571289171 /nfs/dbraw/zinc/28/91/71/571289171.db2.gz HYXBRLUAVZCYAE-UHFFFAOYSA-N 0 0 421.478 3.520 50 10 HHCARN CN1c2ccccc2SC1=Cc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-] ZINC000006177545 960864823 /nfs/dbraw/zinc/86/48/23/960864823.db2.gz WPQLRQZQPKHPDT-UHFFFAOYSA-O 0 0 419.573 3.914 50 10 HHCARN CCN(CC)c1ccc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 ZINC000013865437 962401930 /nfs/dbraw/zinc/40/19/30/962401930.db2.gz BODARHCUNWDNKY-JZJYNLBNSA-N 0 0 404.514 3.809 50 10 HHCARN O=C(/C=C\c1ccccc1)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000033633160 966411823 /nfs/dbraw/zinc/41/18/23/966411823.db2.gz MNJJBVZBKOVVNK-RAXLEYEMSA-N 0 0 411.413 3.657 50 10 HHCARN CCOc1ccccc1CN(C[C@@H](C)O)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000089271942 969037848 /nfs/dbraw/zinc/03/78/48/969037848.db2.gz GVWXWQHJFGLVQL-YBHKSSGVSA-N 0 0 414.458 3.567 50 10 HHCARN CN(C)c1ccc(C=CC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000096983336 969071456 /nfs/dbraw/zinc/07/14/56/969071456.db2.gz XYYQQYNPJYHBTJ-YHYXMXQVSA-N 0 0 420.509 3.659 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3[nH]c4=O)CC2)cc1 ZINC000004920238 132294271 /nfs/dbraw/zinc/29/42/71/132294271.db2.gz CZRWXFOHDWEERL-UHFFFAOYSA-N 0 0 419.506 3.714 50 10 HHCARN CN1CCN(c2cc(NC3CCCCC3)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 ZINC000006664937 132312835 /nfs/dbraw/zinc/31/28/35/132312835.db2.gz HDLAIQAZQPAWGM-UHFFFAOYSA-N 0 0 418.541 3.541 50 10 HHCARN CN(Cc1ccccc1O)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000042116915 523379843 /nfs/dbraw/zinc/37/98/43/523379843.db2.gz LYNNCQYTVIKJNQ-MRXNPFEDSA-N 0 0 410.417 3.873 50 10 HHCARN COc1ccc(N2CCN(C(=O)Cc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000004053788 536683861 /nfs/dbraw/zinc/68/38/61/536683861.db2.gz JCOJFRHGCWRIOS-UHFFFAOYSA-N 0 0 413.827 3.654 50 10 HHCARN COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1O ZINC000012633033 536912822 /nfs/dbraw/zinc/91/28/22/536912822.db2.gz DFZNYSZZLIGUHP-QFIPXVFZSA-N 0 0 404.422 3.943 50 10 HHCARN CSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000000683354 557057378 /nfs/dbraw/zinc/05/73/78/557057378.db2.gz SUXFNINFUNMFPI-FQEVSTJZSA-N 0 0 407.499 3.771 50 10 HHCARN COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O ZINC000001214418 557245151 /nfs/dbraw/zinc/24/51/51/557245151.db2.gz UGRUUXWCKGCZIU-SFQUDFHCSA-N 0 0 414.508 3.631 50 10 HHCARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O ZINC000004648606 557575027 /nfs/dbraw/zinc/57/50/27/557575027.db2.gz IEVOVCUIGLZUKK-QAEAHILHSA-N 0 0 413.499 3.785 50 10 HHCARN CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000022665292 557714048 /nfs/dbraw/zinc/71/40/48/557714048.db2.gz NZJKJFXRCFMANK-XMMPIXPASA-N 0 0 408.590 3.778 50 10 HHCARN CN1CCc2cc([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 ZINC000022733520 557807403 /nfs/dbraw/zinc/80/74/03/557807403.db2.gz ORZIDZYRXWRFKS-DEOSSOPVSA-N 0 0 421.585 3.780 50 10 HHCARN CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)CC1 ZINC000019842097 558294372 /nfs/dbraw/zinc/29/43/72/558294372.db2.gz YPNGNVMGGQDVEH-PGMHBOJBSA-N 0 0 407.539 3.873 50 10 HHCARN Cc1ccc(S(=O)(=O)n2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000012628649 558440841 /nfs/dbraw/zinc/44/08/41/558440841.db2.gz CNSLKOTZZFTOSZ-YVLHZVERSA-N 0 0 414.533 3.676 50 10 HHCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Cl)nc12 ZINC000013564517 558540843 /nfs/dbraw/zinc/54/08/43/558540843.db2.gz CVUPONFTHMHUSK-JYRVWZFOSA-N 0 0 417.899 3.651 50 10 HHCARN CC(NN=c1[nH]c2ccccc2s1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000013756703 558590366 /nfs/dbraw/zinc/59/03/66/558590366.db2.gz IKPYGSMJMNLTHN-GZTJUZNOSA-N 0 0 408.443 3.818 50 10 HHCARN CCn1cc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000013959585 558608138 /nfs/dbraw/zinc/60/81/38/558608138.db2.gz IGFORYDVLGJVSV-UHFFFAOYSA-N 0 0 424.254 3.693 50 10 HHCARN CNC(=O)C1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000029165294 558710968 /nfs/dbraw/zinc/71/09/68/558710968.db2.gz FQGQFMVMXPSNGA-INIZCTEOSA-N 0 0 401.938 3.777 50 10 HHCARN N=C1/C(=C\c2cccn2Cc2ccccc2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000032980974 558757855 /nfs/dbraw/zinc/75/78/55/558757855.db2.gz AAIZYPZIGLDZIM-LEBISVFGSA-N 0 0 418.526 3.599 50 10 HHCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cccc(O)c1 ZINC000015931899 558762715 /nfs/dbraw/zinc/76/27/15/558762715.db2.gz OCVSUPOGXFXWQP-YBEGLDIGSA-N 0 0 419.222 3.715 50 10 HHCARN Cc1ccccc1NC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(N(C)C)cc1 ZINC000001124666 558775376 /nfs/dbraw/zinc/77/53/76/558775376.db2.gz YIBRHLPSZOLTJH-NRFANRHFSA-N 0 0 420.538 3.960 50 10 HHCARN CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 ZINC000033162103 558896021 /nfs/dbraw/zinc/89/60/21/558896021.db2.gz UVMIZIUMXKCDGQ-RVDMUPIBSA-N 0 0 410.271 3.603 50 10 HHCARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3F)C(C(=O)OC)=C2C)cc1 ZINC000004699096 558907201 /nfs/dbraw/zinc/90/72/01/558907201.db2.gz AKVYAJISWILOCR-AQTBWJFISA-N 0 0 409.413 3.880 50 10 HHCARN CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)CC1 ZINC000058407011 558924741 /nfs/dbraw/zinc/92/47/41/558924741.db2.gz YZVUDAXGEMZHIG-QZTJIDSGSA-N 0 0 424.520 3.955 50 10 HHCARN COc1ccc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)[nH]c2c1 ZINC000058419133 558925637 /nfs/dbraw/zinc/92/56/37/558925637.db2.gz BLIKYILLDULHBF-GJZGRUSLSA-N 0 0 411.477 3.859 50 10 HHCARN O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNc1ccc(Cc2ccncc2)cc1 ZINC000017207060 560703981 /nfs/dbraw/zinc/70/39/81/560703981.db2.gz GTFMMRGHNFKZTO-HMMYKYKNSA-N 0 0 420.538 3.544 50 10 HHCARN CCOc1ccc(-n2c(C)cc(C(=O)COc3cccc(-n4cnnn4)c3)c2C)cc1 ZINC000005701491 560797006 /nfs/dbraw/zinc/79/70/06/560797006.db2.gz FCNHVVQKNOAADL-UHFFFAOYSA-N 0 0 417.469 3.730 50 10 HHCARN Cc1cc([C@H](O)C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000048149658 568432226 /nfs/dbraw/zinc/43/22/26/568432226.db2.gz PDKSPOZOMLNKBV-INIZCTEOSA-N 0 0 411.376 3.599 50 10 HHCARN Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@H](c2ccc4c(c2)OCO4)C1)CCCC3 ZINC000012297043 568462961 /nfs/dbraw/zinc/46/29/61/568462961.db2.gz JCHCHMVVCHQLIH-INIZCTEOSA-N 0 0 418.449 3.853 50 10 biogenic HHCARN NC(=O)NC(=O)CCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000024893511 568478812 /nfs/dbraw/zinc/47/88/12/568478812.db2.gz LETHINJGNSJTQT-UHFFFAOYSA-N 0 0 414.918 3.929 50 10 HHCARN O=C(CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)Nc1nccs1 ZINC000604418528 568492992 /nfs/dbraw/zinc/49/29/92/568492992.db2.gz KXYRFPRPCARMBP-UHFFFAOYSA-N 0 0 401.447 3.698 50 10 HHCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(O)cc1 ZINC000095471563 568626892 /nfs/dbraw/zinc/62/68/92/568626892.db2.gz ISXARFFCPYMJBQ-YBEGLDIGSA-N 0 0 419.222 3.715 50 10 HHCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000001090819 568769274 /nfs/dbraw/zinc/76/92/74/568769274.db2.gz YRCBICKNTSPDOJ-YBEGLDIGSA-N 0 0 402.244 3.915 50 10 HHCARN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000057416557 568834283 /nfs/dbraw/zinc/83/42/83/568834283.db2.gz OVNMTLBRSKJATR-MRXNPFEDSA-N 0 0 415.896 3.749 50 10 HHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3c(F)cccc3F)sc2n1 ZINC000012552916 568854209 /nfs/dbraw/zinc/85/42/09/568854209.db2.gz YFTWFSZVRKZAQK-JTQLQIEISA-N 0 0 405.426 3.958 50 10 HHCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(Cl)cc1 ZINC000012563362 568859430 /nfs/dbraw/zinc/85/94/30/568859430.db2.gz GXSYQUURULRCQE-UHFFFAOYSA-N 0 0 419.820 3.911 50 10 HHCARN CCOc1ncccc1CNC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000030307666 568861285 /nfs/dbraw/zinc/86/12/85/568861285.db2.gz MGZYQGPIAOXJGQ-UHFFFAOYSA-N 0 0 407.470 3.589 50 10 HHCARN O=C1N(CCOc2ccccc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000670431819 568862345 /nfs/dbraw/zinc/86/23/45/568862345.db2.gz XRIQCUVRXLHEEX-QHCPKHFHSA-N 0 0 401.491 3.963 50 10 HHCARN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000003248335 568867355 /nfs/dbraw/zinc/86/73/55/568867355.db2.gz NBCNTXDQXPJGLO-UHFFFAOYSA-N 0 0 408.454 3.907 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000012608634 568871544 /nfs/dbraw/zinc/87/15/44/568871544.db2.gz QYJYKZSGOYGSSV-UHFFFAOYSA-N 0 0 422.506 3.738 50 10 HHCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O ZINC000001240660 568907579 /nfs/dbraw/zinc/90/75/79/568907579.db2.gz BWHMWTAVQIWQKN-OQLLNIDSSA-N 0 0 420.899 3.600 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000004174705 568948528 /nfs/dbraw/zinc/94/85/28/568948528.db2.gz RGWWWCGKTDJYBL-BOPFTXTBSA-N 0 0 414.508 3.631 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)Cn2c3ccccc3nc2-c2cscn2)cc1 ZINC000008279948 568987355 /nfs/dbraw/zinc/98/73/55/568987355.db2.gz OMZAACTXGMKWPQ-UHFFFAOYSA-N 0 0 405.527 3.884 50 10 HHCARN COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccc(N(C)C)cc2)C3)c1 ZINC000015779053 569001753 /nfs/dbraw/zinc/00/17/53/569001753.db2.gz MMBXOUSQQVSDJZ-UHFFFAOYSA-N 0 0 419.529 3.862 50 10 HHCARN CCOc1cc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000016134633 569029307 /nfs/dbraw/zinc/02/93/07/569029307.db2.gz CJABPZCNOUKNNQ-XYOKQWHBSA-N 0 0 410.514 3.602 50 10 HHCARN COc1ccc(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000006428136 569048725 /nfs/dbraw/zinc/04/87/25/569048725.db2.gz SXUNPMGEAXZQNB-UHFFFAOYSA-N 0 0 400.386 3.510 50 10 HHCARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 ZINC000006710798 569096631 /nfs/dbraw/zinc/09/66/31/569096631.db2.gz IIEQZJKUWVOMHS-HMMYKYKNSA-N 0 0 420.538 3.611 50 10 HHCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)cc1 ZINC000007423561 569237785 /nfs/dbraw/zinc/23/77/85/569237785.db2.gz QPGPIRNUIFJJQU-UHFFFAOYSA-N 0 0 411.483 3.598 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cn3cccn3)cc2)cc1 ZINC000071793327 569254278 /nfs/dbraw/zinc/25/42/78/569254278.db2.gz LHVYKFHGGOXBRK-DEOSSOPVSA-N 0 0 418.541 3.819 50 10 HHCARN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000027570985 569374540 /nfs/dbraw/zinc/37/45/40/569374540.db2.gz POAAWRHAHUOPDV-QNGOZBTKSA-N 0 0 418.497 3.517 50 10 HHCARN Cc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)o1 ZINC000002370350 569388803 /nfs/dbraw/zinc/38/88/03/569388803.db2.gz IUUCNYGHKHGYAG-LFIBNONCSA-N 0 0 411.508 3.792 50 10 HHCARN COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000002426303 569398641 /nfs/dbraw/zinc/39/86/41/569398641.db2.gz DWWLRMVTUJVUQY-WQRHYEAKSA-N 0 0 423.519 3.733 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4ccccc34)CC2)cc1 ZINC000079484375 569431975 /nfs/dbraw/zinc/43/19/75/569431975.db2.gz GUUMJGWVUMMYSI-UHFFFAOYSA-N 0 0 419.525 3.629 50 10 HHCARN CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccs3)N3CCCCC3)ccc21 ZINC000008800166 571120517 /nfs/dbraw/zinc/12/05/17/571120517.db2.gz RBSLAMZDKPSISC-FQEVSTJZSA-N 0 0 419.616 3.636 50 10 HHCARN COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(OC)c(Cl)c3)c2oc1=O ZINC000008914281 571150247 /nfs/dbraw/zinc/15/02/47/571150247.db2.gz ZLMWCKNVOLAZOH-UHFFFAOYSA-N 0 0 417.845 3.797 50 10 HHCARN COC(=O)c1cc(OC)c(OC)cc1NC=C1SC(=S)N(CCC(C)C)C1=O ZINC000008990537 571206583 /nfs/dbraw/zinc/20/65/83/571206583.db2.gz KPXYQHUFMLXVLT-MHWRWJLKSA-N 0 0 424.544 3.650 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000009215882 571237151 /nfs/dbraw/zinc/23/71/51/571237151.db2.gz DETRZEUMHDYJHC-UNOMPAQXSA-N 0 0 421.547 3.728 50 10 HHCARN COc1ccc(CCN2C(=O)C(=CNc3cccc(O)c3)SC2=S)cc1OC ZINC000009423364 571257557 /nfs/dbraw/zinc/25/75/57/571257557.db2.gz FXOOVKJYUNGIHM-LDADJPATSA-N 0 0 416.524 3.766 50 10 HHCARN O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1ccc(Cl)cn1 ZINC000009983593 571293540 /nfs/dbraw/zinc/29/35/40/571293540.db2.gz XOAGONXNHUCTGW-UHFFFAOYSA-N 0 0 422.824 3.596 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)c(OC)c1 ZINC000010232921 571297497 /nfs/dbraw/zinc/29/74/97/571297497.db2.gz JOTYBUTWKMOKDC-WQRHYEAKSA-N 0 0 401.509 3.853 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000010434321 571302721 /nfs/dbraw/zinc/30/27/21/571302721.db2.gz JVYFZMMKHBBJPY-DHDCSXOGSA-N 0 0 417.443 3.574 50 10 HHCARN CC[C@@H](C)N1C(=O)/C(=C/c2c(C)[nH]c3ccc(Br)cc32)C(=O)NC1=S ZINC000001137812 960459151 /nfs/dbraw/zinc/45/91/51/960459151.db2.gz KGJHCEFKCNUJON-MBBDXHFBSA-N 0 0 420.332 3.664 50 10 HHCARN CCCCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000015911912 962895326 /nfs/dbraw/zinc/89/53/26/962895326.db2.gz LAFBKUGLPHGJCQ-GMMNJOFWSA-N 0 0 404.532 3.954 50 10 HHCARN N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000016248088 962989160 /nfs/dbraw/zinc/98/91/60/962989160.db2.gz ZLHQTXHDPDPBDL-RBKZQELPSA-N 0 0 421.301 3.965 50 10 HHCARN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000024498131 964011167 /nfs/dbraw/zinc/01/11/67/964011167.db2.gz WMIXKJBWISJNNN-JXMROGBWSA-N 0 0 404.558 3.820 50 10 HHCARN Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000002220980 132249824 /nfs/dbraw/zinc/24/98/24/132249824.db2.gz XWPVWCXKDRUYQY-DEDYPNTBSA-N 0 0 414.465 3.772 50 10 HHCARN COc1ccccc1N1C(=O)C(=Cc2ccco2)C(=O)N(c2ccccc2OC)C1=O ZINC000003130498 132262860 /nfs/dbraw/zinc/26/28/60/132262860.db2.gz HVYDLKCGAIQVTO-UHFFFAOYSA-N 0 0 418.405 3.880 50 10 HHCARN COc1cc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)ccc1O ZINC000015401564 132461552 /nfs/dbraw/zinc/46/15/52/132461552.db2.gz LEHSMOOMDHUJJP-XSFVSMFZSA-N 0 0 409.511 3.502 50 10 HHCARN CCOc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2c1 ZINC000020081485 521282201 /nfs/dbraw/zinc/28/22/01/521282201.db2.gz ONZHLBLQKJCWOJ-YVLHZVERSA-N 0 0 412.492 3.921 50 10 HHCARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000040484576 521524939 /nfs/dbraw/zinc/52/49/39/521524939.db2.gz YFNNQLCHDLKHRF-NRFANRHFSA-N 0 0 418.501 3.670 50 10 HHCARN COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000040484492 523822259 /nfs/dbraw/zinc/82/22/59/523822259.db2.gz KMMTZVZDMGINIZ-NRFANRHFSA-N 0 0 418.501 3.589 50 10 HHCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S3)CC2)cc1 ZINC000001183808 524963642 /nfs/dbraw/zinc/96/36/42/524963642.db2.gz HLTCCGGVOZWZQQ-RGEXLXHISA-N 0 0 408.483 3.696 50 10 HHCARN Cc1cc(O)c(O)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000040149258 525325807 /nfs/dbraw/zinc/32/58/07/525325807.db2.gz MGWWCWONHHBHOC-UHFFFAOYSA-N 0 0 401.816 3.796 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1ccccc1C ZINC000044030680 526204848 /nfs/dbraw/zinc/20/48/48/526204848.db2.gz RQVGJEDYNUZCGM-QHCPKHFHSA-N 0 0 405.454 3.645 50 10 HHCARN CCOC(=O)C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000009119974 557017973 /nfs/dbraw/zinc/01/79/73/557017973.db2.gz LCOSBICHBBAWNU-MDZDMXLPSA-N 0 0 421.396 3.541 50 10 HHCARN CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2O)n1 ZINC000000653871 557040149 /nfs/dbraw/zinc/04/01/49/557040149.db2.gz WRBGPQTZGJKYAD-CQSZACIVSA-N 0 0 411.443 3.570 50 10 HHCARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 ZINC000000799799 557084288 /nfs/dbraw/zinc/08/42/88/557084288.db2.gz METWSRHAUIOERA-GOSISDBHSA-N 0 0 400.935 3.838 50 10 HHCARN COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000001202632 557239774 /nfs/dbraw/zinc/23/97/74/557239774.db2.gz OCDUYSNOFHZQJT-XNTDXEJSSA-N 0 0 404.900 3.895 50 10 HHCARN O=C1C(=CNCc2ccncc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000001208643 557242414 /nfs/dbraw/zinc/24/24/14/557242414.db2.gz BIRNOVATQAFBQJ-ZRDIBKRKSA-N 0 0 403.389 3.630 50 10 HHCARN COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000002591123 557358990 /nfs/dbraw/zinc/35/89/90/557358990.db2.gz YGHGGZBJOYSRBB-UHFFFAOYSA-N 0 0 402.859 3.682 50 10 HHCARN Cc1ccccc1N1C(=O)/C(=C/c2cccc(OS(C)(=O)=O)c2)SC1=S ZINC000003003546 557440194 /nfs/dbraw/zinc/44/01/94/557440194.db2.gz LVZWOHKWJNDBIU-WJDWOHSUSA-N 0 0 405.522 3.739 50 10 HHCARN CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(CCc2ccccc2)C1=O ZINC000004472667 557556810 /nfs/dbraw/zinc/55/68/10/557556810.db2.gz GJHCMDLDDULJKY-PGMHBOJBSA-N 0 0 405.498 3.578 50 10 HHCARN CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 ZINC000020356713 558357373 /nfs/dbraw/zinc/35/73/73/558357373.db2.gz OHZYHABZBLXGPI-LEBISVFGSA-N 0 0 424.574 3.841 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000229920698 558426823 /nfs/dbraw/zinc/42/68/23/558426823.db2.gz MUYWCFYXDHYKRC-KNKQGSTJSA-N 0 0 414.502 3.673 50 10 HHCARN CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000012614815 558439165 /nfs/dbraw/zinc/43/91/65/558439165.db2.gz JUGYMDGUHVEKBP-GDNBJRDFSA-N 0 0 416.572 3.682 50 10 HHCARN O=C(OCc1nc(-c2ccsc2)no1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000012803873 558472653 /nfs/dbraw/zinc/47/26/53/558472653.db2.gz RUMBDWZSSJUTFE-UHFFFAOYSA-N 0 0 416.414 3.931 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000013562479 558540504 /nfs/dbraw/zinc/54/05/04/558540504.db2.gz ATGGTZKNMIISPE-UYRXBGFRSA-N 0 0 423.465 3.980 50 10 HHCARN COc1ccc2cc(/C=C3/SC(=S)N(Nc4ccccc4)C3=O)c(=O)[nH]c2c1 ZINC000013718893 558580599 /nfs/dbraw/zinc/58/05/99/558580599.db2.gz FYRIYXRDEFECGP-LICLKQGHSA-N 0 0 409.492 3.765 50 10 HHCARN CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000027021548 558668651 /nfs/dbraw/zinc/66/86/51/558668651.db2.gz UJDPNBQCPKQBPN-HFIOFXJDSA-N 0 0 402.523 3.715 50 10 HHCARN CCN(CC)c1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)c(OC)c1 ZINC000015010104 558699912 /nfs/dbraw/zinc/69/99/12/558699912.db2.gz IZGCAGBQAWOTAK-UYRXBGFRSA-N 0 0 411.527 3.812 50 10 HHCARN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000072277264 558703214 /nfs/dbraw/zinc/70/32/14/558703214.db2.gz FUDMLYYDMIVLMI-OALUTQOASA-N 0 0 402.897 3.860 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 ZINC000015799653 558753788 /nfs/dbraw/zinc/75/37/88/558753788.db2.gz WCLSRMSZEJYIOH-KAMYIIQDSA-N 0 0 419.553 3.772 50 10 HHCARN CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000015922466 558762185 /nfs/dbraw/zinc/76/21/85/558762185.db2.gz AOUMXQOYKUEUHZ-LYBHJNIJSA-N 0 0 413.521 3.882 50 10 HHCARN COc1ccc(N2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 ZINC000033266301 558763106 /nfs/dbraw/zinc/76/31/06/558763106.db2.gz CZKONDDJFKHSAJ-UHFFFAOYSA-N 0 0 403.461 3.871 50 10 HHCARN CS(=O)(=O)Oc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000016192795 558777379 /nfs/dbraw/zinc/77/73/79/558777379.db2.gz AYYNTQUZWJFVCN-GDNBJRDFSA-N 0 0 409.485 3.570 50 10 HHCARN Cc1ccccc1OCCOCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000004670587 558882868 /nfs/dbraw/zinc/88/28/68/558882868.db2.gz VBPYABQXSGPACE-RGEXLXHISA-N 0 0 415.536 3.958 50 10 HHCARN N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000004701742 558909903 /nfs/dbraw/zinc/90/99/03/558909903.db2.gz QEHJJAQJKHCDBP-PVKCIBLZSA-N 0 0 403.183 3.631 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000334160675 558980040 /nfs/dbraw/zinc/98/00/40/558980040.db2.gz JQYSLHUWSRFNPI-SXGWCWSVSA-N 0 0 401.469 3.874 50 10 HHCARN CCCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181525 559031453 /nfs/dbraw/zinc/03/14/53/559031453.db2.gz WPYMFTFXUDYVDQ-VGSWGCGISA-N 0 0 401.576 3.925 50 10 HHCARN Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)cc2c1 ZINC000024007518 559187337 /nfs/dbraw/zinc/18/73/37/559187337.db2.gz LTIZGPPSFKMORK-PDGQHHTCSA-N 0 0 413.568 3.989 50 10 HHCARN CC[C@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S ZINC000005065995 559239835 /nfs/dbraw/zinc/23/98/35/559239835.db2.gz FMSRQOQKPJSPAG-OJNRTJSBSA-N 0 0 416.572 3.762 50 10 HHCARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1F ZINC000005092792 559243998 /nfs/dbraw/zinc/24/39/98/559243998.db2.gz OHQXLPGMIWWSJL-QHAWAJNXSA-N 0 0 404.397 3.582 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)c(OC)c1 ZINC000102631777 560818603 /nfs/dbraw/zinc/81/86/03/560818603.db2.gz ATGGTZKNMIISPE-CPNJWEJPSA-N 0 0 423.465 3.980 50 10 HHCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000013720773 560827453 /nfs/dbraw/zinc/82/74/53/560827453.db2.gz GMLJXDAORQANNT-UHFFFAOYSA-N 0 0 423.425 3.952 50 10 HHCARN COc1ccc(O)c(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)c1 ZINC000019328017 560885540 /nfs/dbraw/zinc/88/55/40/560885540.db2.gz UAFMKJPZASKDGY-UHFFFAOYSA-N 0 0 406.482 3.829 50 10 HHCARN COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000049003904 568446600 /nfs/dbraw/zinc/44/66/00/568446600.db2.gz POKBSZUQLIVZRI-UHFFFAOYSA-N 0 0 416.474 3.614 50 10 HHCARN Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)NC1=O ZINC000012285433 568458563 /nfs/dbraw/zinc/45/85/63/568458563.db2.gz ZHTRLZKDICFWFU-GZTJUZNOSA-N 0 0 416.480 3.850 50 10 HHCARN COc1ccc2c3c(n(CCc4ccncc4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404720 568492431 /nfs/dbraw/zinc/49/24/31/568492431.db2.gz JLTWGEPKXXGSBO-UHFFFAOYSA-N 0 0 412.445 3.868 50 10 HHCARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000020236962 568595631 /nfs/dbraw/zinc/59/56/31/568595631.db2.gz BYBPJPYIXAMBNE-AXUMHFPESA-N 0 0 405.414 3.761 50 10 HHCARN CN(C)c1ccc(/C=C/C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000040134438 568622196 /nfs/dbraw/zinc/62/21/96/568622196.db2.gz DYFLHDKCHCQEMZ-BJMVGYQFSA-N 0 0 418.463 3.965 50 10 HHCARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000000867169 568723990 /nfs/dbraw/zinc/72/39/90/568723990.db2.gz NIWOUELIZCNMFU-IBGZPJMESA-N 0 0 414.893 3.681 50 10 HHCARN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccccc3F)c2C)cc1 ZINC000002635458 568791987 /nfs/dbraw/zinc/79/19/87/568791987.db2.gz PVPYQXGULLQWFM-UHFFFAOYSA-N 0 0 423.440 3.988 50 10 HHCARN Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccc(-n5cccc5)cc4)nc3c12 ZINC000002792612 568810320 /nfs/dbraw/zinc/81/03/20/568810320.db2.gz AUXWPSSDEINHMA-UHFFFAOYSA-N 0 0 402.483 3.807 50 10 HHCARN Cc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F ZINC000003288367 568872631 /nfs/dbraw/zinc/87/26/31/568872631.db2.gz CIBUCRABBZZLJY-QFIPXVFZSA-N 0 0 409.413 3.799 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccncc1 ZINC000001269232 568909709 /nfs/dbraw/zinc/90/97/09/568909709.db2.gz SGCQGOHRBWMSOH-QPEQYQDCSA-N 0 0 410.307 3.935 50 10 HHCARN COc1cc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)cc(OC)c1OC ZINC000003639125 568921796 /nfs/dbraw/zinc/92/17/96/568921796.db2.gz OBEGCSJLJGPULG-UNOMPAQXSA-N 0 0 410.495 3.741 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)c1 ZINC000004063589 568937427 /nfs/dbraw/zinc/93/74/27/568937427.db2.gz DLEZMFMZKMZSLQ-ATVHPVEESA-N 0 0 413.524 3.710 50 10 HHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026763534 569056529 /nfs/dbraw/zinc/05/65/29/569056529.db2.gz ZFDWWZOUIOPEFD-HKWRFOASSA-N 0 0 416.506 3.842 50 10 HHCARN 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ZFDWWZOUIOPEFD-HMMYKYKNSA-N 0 0 416.506 3.842 50 10 HHCARN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1O ZINC000026608261 569043420 /nfs/dbraw/zinc/04/34/20/569043420.db2.gz HTGLBBROXDOAMY-KREXOYDUSA-N 0 0 412.858 3.722 50 10 HHCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000006344437 569044183 /nfs/dbraw/zinc/04/41/83/569044183.db2.gz YGUQTGVSSJXBSQ-NJDAHSKKSA-N 0 0 404.397 3.582 50 10 HHCARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)c1 ZINC000006614292 569074291 /nfs/dbraw/zinc/07/42/91/569074291.db2.gz RAKKVAKZBYWJAA-QNGOZBTKSA-N 0 0 418.497 3.517 50 10 HHCARN COc1ccc(-c2noc(-c3ccc(NCc4ccc(N(C)C)cc4)nn3)n2)cc1 ZINC000064838076 569106195 /nfs/dbraw/zinc/10/61/95/569106195.db2.gz FYLKLSZLZKRXLX-UHFFFAOYSA-N 0 0 402.458 3.880 50 10 HHCARN Cc1cc(C(=O)COC(=O)c2ccc(C=O)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000006862308 569158368 /nfs/dbraw/zinc/15/83/68/569158368.db2.gz CSXLFHYASANFQY-UHFFFAOYSA-N 0 0 419.433 3.718 50 10 HHCARN COc1ccc(N2CCN(c3nc(C(=O)NCC4CCCCC4)cs3)CC2)cc1 ZINC000065211532 569196947 /nfs/dbraw/zinc/19/69/47/569196947.db2.gz RBNWHNCOQYLMFS-UHFFFAOYSA-N 0 0 414.575 3.788 50 10 HHCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2C)cc1 ZINC000007423570 569237808 /nfs/dbraw/zinc/23/78/08/569237808.db2.gz RHGFNMDFBKLHOT-UHFFFAOYSA-N 0 0 410.499 3.785 50 10 HHCARN Cc1cc(C(=O)Oc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1F ZINC000170593094 569241067 /nfs/dbraw/zinc/24/10/67/569241067.db2.gz OLYKMWGJLGFCLI-UHFFFAOYSA-N 0 0 402.447 3.824 50 10 HHCARN CN1C(=O)C(=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)N(C)C1=O ZINC000004550998 569255534 /nfs/dbraw/zinc/25/55/34/569255534.db2.gz SOCMKWKJWOXNRG-UHFFFAOYSA-N 0 0 407.857 3.777 50 10 HHCARN COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1OC ZINC000027549207 569372516 /nfs/dbraw/zinc/37/25/16/569372516.db2.gz XZOCKDQBDLOYAL-LQFYYXEQSA-N 0 0 406.467 3.566 50 10 HHCARN COc1cc2c(cc1OC)C1=CC3(Nc4cccc5cccc(c54)N3)NC(=O)N1CC2 ZINC000002366996 569388179 /nfs/dbraw/zinc/38/81/79/569388179.db2.gz LYMPPRWOVMKASB-UHFFFAOYSA-N 0 0 414.465 3.971 50 10 biogenic HHCARN Cn1cc(-c2nc(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)cs2)cn1 ZINC000079048931 569425447 /nfs/dbraw/zinc/42/54/47/569425447.db2.gz MXRYPUMODSVVKQ-UHFFFAOYSA-N 0 0 401.455 3.506 50 10 HHCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008846278 571125677 /nfs/dbraw/zinc/12/56/77/571125677.db2.gz LFGGQMBUQMPKKV-UHFFFAOYSA-N 0 0 409.442 3.862 50 10 HHCARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008870243 571130111 /nfs/dbraw/zinc/13/01/11/571130111.db2.gz AGGNHWRIZYRNGL-VGOFMYFVSA-N 0 0 420.403 3.870 50 10 HHCARN COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000068678538 571134318 /nfs/dbraw/zinc/13/43/18/571134318.db2.gz YOCVQDXJNDKUNX-IBGZPJMESA-N 0 0 403.526 3.848 50 10 HHCARN COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)c1 ZINC000009293324 571245739 /nfs/dbraw/zinc/24/57/39/571245739.db2.gz LCWYYMBMSBOLKP-WBXVYAGQSA-N 0 0 423.498 3.750 50 10 HHCARN COCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 ZINC000009730721 571282942 /nfs/dbraw/zinc/28/29/42/571282942.db2.gz WZJPDCVZOOFWAV-SAPNQHFASA-N 0 0 422.510 3.566 50 10 HHCARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000010214491 571296814 /nfs/dbraw/zinc/29/68/14/571296814.db2.gz RGAZSWSIIDVHIY-FQEVSTJZSA-N 0 0 421.497 3.673 50 10 HHCARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc(OC)ccc3O)N2C1=O ZINC000022204890 963609761 /nfs/dbraw/zinc/60/97/61/963609761.db2.gz UIAZRTMEJSNYAT-UGKGYDQZSA-N 0 0 419.481 3.961 50 10 HHCARN Cc1cc(O)c(CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1C(C)C ZINC000033480696 966408552 /nfs/dbraw/zinc/40/85/52/966408552.db2.gz GQQNXYGXDOZDAB-ZROIWOOFSA-N 0 0 414.571 3.942 50 10 HHCARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 ZINC000096904521 969054549 /nfs/dbraw/zinc/05/45/49/969054549.db2.gz OASCLNPOIKSQIM-QINSGFPZSA-N 0 0 416.525 3.975 50 10 HHCARN CCCCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000004821379 132289436 /nfs/dbraw/zinc/28/94/36/132289436.db2.gz PLJFLYNESCCKBI-UHFFFAOYSA-N 0 0 413.474 3.745 50 10 HHCARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000012554701 132363480 /nfs/dbraw/zinc/36/34/80/132363480.db2.gz ZREPJPLVZMVVBL-PDGQHHTCSA-N 0 0 413.271 3.630 50 10 HHCARN COc1ccc2c(c1)CCCN2Cc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000012734295 132366330 /nfs/dbraw/zinc/36/63/30/132366330.db2.gz AWTKVZGYXDYYNA-UHFFFAOYSA-N 0 0 408.527 3.738 50 10 HHCARN CCc1cccc2c(C3=CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)c[nH]c21 ZINC000024201564 132483079 /nfs/dbraw/zinc/48/30/79/132483079.db2.gz SLPAVJXCWVFFAJ-UHFFFAOYSA-N 0 0 415.453 3.940 50 10 HHCARN CCOc1cc(/C=C2\C(=O)N=C3C=C(C)ON3C2=N)ccc1OC(=O)c1cccs1 ZINC000020236634 520629208 /nfs/dbraw/zinc/62/92/08/520629208.db2.gz QPWGCXHJOMLWNK-JCGAUMLPSA-N 0 0 423.450 3.816 50 10 HHCARN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=N)S1 ZINC000032964061 520900823 /nfs/dbraw/zinc/90/08/23/520900823.db2.gz LYCPMYFBNHXNEP-CRKOOCFNSA-N 0 0 414.834 3.678 50 10 HHCARN CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000001127872 521511906 /nfs/dbraw/zinc/51/19/06/521511906.db2.gz XAMIJEGMQUPQMX-AQTBWJFISA-N 0 0 413.930 3.970 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 ZINC000029478910 522169218 /nfs/dbraw/zinc/16/92/18/522169218.db2.gz NBAGXJZWVOZRJT-NRFANRHFSA-N 0 0 421.566 3.814 50 10 HHCARN CNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 ZINC000044086234 524075329 /nfs/dbraw/zinc/07/53/29/524075329.db2.gz GCCVVCSQPZNWGM-UHFFFAOYSA-N 0 0 406.305 3.792 50 10 HHCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)c1 ZINC000000950641 524552144 /nfs/dbraw/zinc/55/21/44/524552144.db2.gz NYBDEGCOSDYZCC-PGMHBOJBSA-N 0 0 406.555 3.854 50 10 HHCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000001141103 536700592 /nfs/dbraw/zinc/70/05/92/536700592.db2.gz QQTHHCPELBYUOZ-UHFFFAOYSA-N 0 0 420.534 3.777 50 10 HHCARN CCOC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CCCC2 ZINC000000623573 557020252 /nfs/dbraw/zinc/02/02/52/557020252.db2.gz SECCSMLYJIENJQ-HNNXBMFYSA-N 0 0 413.499 3.565 50 10 HHCARN Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)no1 ZINC000001182178 557231476 /nfs/dbraw/zinc/23/14/76/557231476.db2.gz SDWATGBHCJQCBQ-PTNGSMBKSA-N 0 0 401.513 3.912 50 10 HHCARN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000001185921 557233813 /nfs/dbraw/zinc/23/38/13/557233813.db2.gz VDOYOCQAOYUWSY-UHFFFAOYSA-N 0 0 424.522 3.571 50 10 HHCARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(O)c(O)c1 ZINC000001278321 557253190 /nfs/dbraw/zinc/25/31/90/557253190.db2.gz PKTIONATOPTZAV-UHFFFAOYSA-N 0 0 407.451 3.973 50 10 HHCARN CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1 ZINC000001298552 557253806 /nfs/dbraw/zinc/25/38/06/557253806.db2.gz GGWKNYWPPNRJGA-UYRXBGFRSA-N 0 0 410.543 3.608 50 10 HHCARN CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCOC)C1=O ZINC000002953481 557430444 /nfs/dbraw/zinc/43/04/44/557430444.db2.gz PGIIEAKUEUUMFG-LCYFTJDESA-N 0 0 402.335 3.695 50 10 HHCARN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000004070646 557509476 /nfs/dbraw/zinc/50/94/76/557509476.db2.gz NMEPTTVDOWQLRL-GIJQJNRQSA-N 0 0 412.580 3.973 50 10 HHCARN COc1ccc(Br)cc1/C=C1/SC(N2C[C@@H](C)O[C@@H](C)C2)=NC1=O ZINC000004754799 557593274 /nfs/dbraw/zinc/59/32/74/557593274.db2.gz LZWXPMSBQBHKEF-IPUWSDAOSA-N 0 0 411.321 3.537 50 10 HHCARN COc1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C ZINC000006371390 557700337 /nfs/dbraw/zinc/70/03/37/557700337.db2.gz GSXFRQLILYFQDY-BKUYFWCQSA-N 0 0 401.491 3.873 50 10 HHCARN CCc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000012032416 558311387 /nfs/dbraw/zinc/31/13/87/558311387.db2.gz ACFPMKCRKDYHIC-RGEXLXHISA-N 0 0 410.564 3.809 50 10 HHCARN CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000012136906 558333934 /nfs/dbraw/zinc/33/39/34/558333934.db2.gz QSLCESWGUYSWIO-QGZVFWFLSA-N 0 0 412.467 3.769 50 10 HHCARN COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1 ZINC000012549574 558427098 /nfs/dbraw/zinc/42/70/98/558427098.db2.gz RUIZDWPMDDZXNB-ZHZULCJRSA-N 0 0 410.495 3.577 50 10 HHCARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013547382 558538308 /nfs/dbraw/zinc/53/83/08/558538308.db2.gz ZTKJOGLOIGZPQY-PXNMLYILSA-N 0 0 400.437 3.725 50 10 HHCARN O=c1c2ccccc2nc(/C=C/c2ccc(O)c(O)c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004425930 558544040 /nfs/dbraw/zinc/54/40/40/558544040.db2.gz UZXASLBIBKIDPW-WUXMJOGZSA-N 0 0 401.378 3.876 50 10 HHCARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000024207208 558592123 /nfs/dbraw/zinc/59/21/23/558592123.db2.gz JIGKSDCLBMOSTO-UHFFFAOYSA-N 0 0 412.578 3.584 50 10 HHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000027157475 558670506 /nfs/dbraw/zinc/67/05/06/558670506.db2.gz UVNOTHQSWIYHDU-UHFFFAOYSA-N 0 0 416.525 3.605 50 10 HHCARN Oc1cc2c(cc1CN1CCN(c3ncc(C(F)(F)F)cc3Cl)CC1)OCO2 ZINC000027492356 558673451 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CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)NC1=S ZINC000009295848 557835021 /nfs/dbraw/zinc/83/50/21/557835021.db2.gz ZMVVFWIGKGZWNX-DHDCSXOGSA-N 0 0 421.291 3.855 50 10 HHCARN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)c(CN3CCOCC3)c21 ZINC000019932827 558310997 /nfs/dbraw/zinc/31/09/97/558310997.db2.gz ZXAWKHDXRYZIPO-UHFFFAOYSA-N 0 0 424.497 3.662 50 10 HHCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000012411507 558401022 /nfs/dbraw/zinc/40/10/22/558401022.db2.gz ZMFLFEWSTKDMLT-YBEGLDIGSA-N 0 0 403.456 3.932 50 10 HHCARN CCOc1ccccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O ZINC000012654212 558444315 /nfs/dbraw/zinc/44/43/15/558444315.db2.gz IVBJRIUESKLPKG-PGMHBOJBSA-N 0 0 407.539 3.873 50 10 HHCARN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000021866244 558452776 /nfs/dbraw/zinc/45/27/76/558452776.db2.gz FICIQCOABYCSFS-NRFANRHFSA-N 0 0 409.555 3.959 50 10 HHCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O ZINC000013711754 558576338 /nfs/dbraw/zinc/57/63/38/558576338.db2.gz BASIDCBKTLMICS-GDNBJRDFSA-N 0 0 404.900 3.895 50 10 HHCARN Cc1cccc(OCCOCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000013941935 558604647 /nfs/dbraw/zinc/60/46/47/558604647.db2.gz JMCJGKLISCBWCW-XMHGGMMESA-N 0 0 415.536 3.958 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000027156107 558670248 /nfs/dbraw/zinc/67/02/48/558670248.db2.gz VIOKBFZSTCCODV-UHFFFAOYSA-N 0 0 424.932 3.694 50 10 HHCARN COc1c(Br)cc(C=C2SC(=S)NC2=O)cc1Br ZINC000015685504 558749053 /nfs/dbraw/zinc/74/90/53/558749053.db2.gz FGDKWJUUYQTFFJ-YWEYNIOJSA-N 0 0 409.124 3.709 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 ZINC000015799762 558753802 /nfs/dbraw/zinc/75/38/02/558753802.db2.gz VQYPZWXKDWWVIS-PTNGSMBKSA-N 0 0 417.512 3.612 50 10 HHCARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2 ZINC000015830047 558755268 /nfs/dbraw/zinc/75/52/68/558755268.db2.gz FINXACAXHMFTJR-SFHVURJKSA-N 0 0 409.486 3.570 50 10 biogenic HHCARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNCc2ccco2)cc1 ZINC000016115782 558772606 /nfs/dbraw/zinc/77/26/06/558772606.db2.gz LFTVEFSUSONJDZ-ZHZULCJRSA-N 0 0 418.409 3.621 50 10 HHCARN CCCCN1c2ccccc2/C(=C2/SC(=S)N(CCCOCC)C2=O)C1=O ZINC000016225340 558779579 /nfs/dbraw/zinc/77/95/79/558779579.db2.gz KRSMZDGMQQTSOV-MSUUIHNZSA-N 0 0 404.557 3.831 50 10 HHCARN CCCC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181515 559031422 /nfs/dbraw/zinc/03/14/22/559031422.db2.gz WPYMFTFXUDYVDQ-HTAPYJJXSA-N 0 0 401.576 3.925 50 10 HHCARN CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745548 559046549 /nfs/dbraw/zinc/04/65/49/559046549.db2.gz ISNWWZVUVKGDCL-GHRIWEEISA-N 0 0 400.525 3.920 50 10 HHCARN Cc1cc(SCC(=O)NCCc2ccc(O)c(O)c2)c(C)cc1Br ZINC000098074432 559064308 /nfs/dbraw/zinc/06/43/08/559064308.db2.gz WDAGVHSYHASJRM-UHFFFAOYSA-N 0 0 410.333 3.928 50 10 HHCARN CC1=NN2C(=NC(=O)/C(=C/c3ccccc3OCCOc3ccccc3)C2=N)S1 ZINC000004819960 559119346 /nfs/dbraw/zinc/11/93/46/559119346.db2.gz RHZMVJHTIMTHCX-DTRPCSQLSA-N 0 0 406.467 3.783 50 10 HHCARN COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005097963 559245223 /nfs/dbraw/zinc/24/52/23/559245223.db2.gz FXOZYDOMCRJCMK-HXUWFJFHSA-N 0 0 401.938 3.982 50 10 HHCARN COC(=O)c1ccccc1Nc1c(C(=O)OC)ccc2c1C(=O)c1ccccc1C2=O ZINC000005125346 559248195 /nfs/dbraw/zinc/24/81/95/559248195.db2.gz DHTDBFDKPIXLHE-UHFFFAOYSA-N 0 0 415.401 3.779 50 10 HHCARN Cc1cc(/C=C2\C(=N)N3N=C(C4CC4)SC3=NC2=O)c(C)n1-c1cccc(O)c1 ZINC000005341593 560567755 /nfs/dbraw/zinc/56/77/55/560567755.db2.gz KKZUXAWVTKJVLY-PQOWSYMHSA-N 0 0 405.483 3.829 50 10 HHCARN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018165335 560780566 /nfs/dbraw/zinc/78/05/66/560780566.db2.gz DGHHDANZEPTKRU-ZLNRFVROSA-N 0 0 413.477 3.804 50 10 HHCARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)c1 ZINC000102701278 560820348 /nfs/dbraw/zinc/82/03/48/560820348.db2.gz LHCMQUIDDUZMNR-FDFHNCONSA-N 0 0 400.434 3.752 50 10 HHCARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O ZINC000102703707 560820427 /nfs/dbraw/zinc/82/04/27/560820427.db2.gz VXCHZEGCOJVBAY-BHIFYINESA-N 0 0 400.434 3.752 50 10 HHCARN COC(=O)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3OC)C2=O)cc1 ZINC000103978786 560846275 /nfs/dbraw/zinc/84/62/75/560846275.db2.gz NAFHHAOSIHXWQW-GZTJUZNOSA-N 0 0 414.508 3.753 50 10 HHCARN CCc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000048988587 568444067 /nfs/dbraw/zinc/44/40/67/568444067.db2.gz SHRAVOKXEUPUBL-UHFFFAOYSA-N 0 0 400.475 3.777 50 10 HHCARN O=C(C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000048988481 568444093 /nfs/dbraw/zinc/44/40/93/568444093.db2.gz RSADEWGMVAXAHT-UHFFFAOYSA-N 0 0 404.438 3.744 50 10 HHCARN COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000000660418 568460168 /nfs/dbraw/zinc/46/01/68/568460168.db2.gz TXWCEJITOOAKND-STZFKDTASA-N 0 0 415.449 3.978 50 10 HHCARN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000033248307 568511847 /nfs/dbraw/zinc/51/18/47/568511847.db2.gz RYPGVJDMFVLWKM-CJLVFECKSA-N 0 0 420.509 3.677 50 10 HHCARN CC(=O)n1cc(C=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000020075043 568587718 /nfs/dbraw/zinc/58/77/18/568587718.db2.gz SKHOKLODPPYDDO-WQRHYEAKSA-N 0 0 403.463 3.969 50 10 biogenic HHCARN COc1ccc(-n2c(C)cc(CNS(=O)(=O)c3ccc(OC)cc3)c2C)cc1 ZINC000021044878 568660094 /nfs/dbraw/zinc/66/00/94/568660094.db2.gz JIGMWBSMFHVVPN-UHFFFAOYSA-N 0 0 400.500 3.590 50 10 HHCARN Cc1cccc(-n2c(CC(=O)NCc3ccc(N(C)C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000096387082 568743932 /nfs/dbraw/zinc/74/39/32/568743932.db2.gz SOWGXWOKERLKBT-JOCHJYFZSA-N 0 0 414.509 3.864 50 10 HHCARN COc1ccc(N2CC[NH+](CCCNc3cc(C(=O)[O-])c4ccccc4n3)CC2)cc1 ZINC000021715306 568749408 /nfs/dbraw/zinc/74/94/08/568749408.db2.gz IGYFYAMGBZLLAM-UHFFFAOYSA-N 0 0 420.513 3.566 50 10 HHCARN Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000001088464 568768984 /nfs/dbraw/zinc/76/89/84/568768984.db2.gz WRPDTCFGNKQVPI-UHFFFAOYSA-N 0 0 405.429 3.571 50 10 HHCARN C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O ZINC000012523204 568842265 /nfs/dbraw/zinc/84/22/65/568842265.db2.gz RWEMWKNEQKMNIE-GJZGRUSLSA-N 0 0 419.503 3.894 50 10 HHCARN O=[N+]([O-])c1ccc(-n2cccc2NS(=O)(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000004049830 568880379 /nfs/dbraw/zinc/88/03/79/568880379.db2.gz SNMREDFLSQXBAY-UHFFFAOYSA-N 0 0 410.814 3.947 50 10 HHCARN COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2cccc(O)c2)C1=O ZINC000001235680 568886187 /nfs/dbraw/zinc/88/61/87/568886187.db2.gz GWSKKPNVTXFJFH-GZTJUZNOSA-N 0 0 414.508 3.631 50 10 HHCARN COc1ccc(CC2=NN3C(=NC(=O)/C(=C/c4ccc(C)cc4)C3=N)S2)cc1OC ZINC000035225602 569014182 /nfs/dbraw/zinc/01/41/82/569014182.db2.gz ZLYLMWGORRTOEG-RCOXNWNUSA-N 0 0 420.494 3.874 50 10 HHCARN COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000001768458 569052310 /nfs/dbraw/zinc/05/23/10/569052310.db2.gz KPYINHKALGZPIN-VBKFSLOCSA-N 0 0 409.529 3.638 50 10 HHCARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 ZINC000001806316 569053492 /nfs/dbraw/zinc/05/34/92/569053492.db2.gz TXHUNPNKIBDFLS-HKWRFOASSA-N 0 0 420.538 3.611 50 10 HHCARN Cc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1O ZINC000006727367 569101824 /nfs/dbraw/zinc/10/18/24/569101824.db2.gz AAZKRMIWHXUKLP-OAHLLOKOSA-N 0 0 408.321 3.941 50 10 HHCARN COC(=O)C1=CN(c2ccc(Br)cc2)c2ccc(F)cc2S1(=O)=O ZINC000064979248 569140862 /nfs/dbraw/zinc/14/08/62/569140862.db2.gz CNBWDXNXXIIWQA-UHFFFAOYSA-N 0 0 412.236 3.528 50 10 HHCARN CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065209821 569196551 /nfs/dbraw/zinc/19/65/51/569196551.db2.gz KCYMPQZCPYESED-UHFFFAOYSA-N 0 0 404.514 3.727 50 10 HHCARN COc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc2ccccc21 ZINC000065551677 569235129 /nfs/dbraw/zinc/23/51/29/569235129.db2.gz PUTKVQZQDGHFET-IYBDPMFKSA-N 0 0 423.488 3.926 50 10 HHCARN CN1CCCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCOCC3)ccc21 ZINC000016838333 569264064 /nfs/dbraw/zinc/26/40/64/569264064.db2.gz QDZPGHKFOLRXBO-JOCHJYFZSA-N 0 0 413.949 3.526 50 10 HHCARN CN(C)c1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 ZINC000003024529 569322890 /nfs/dbraw/zinc/32/28/90/569322890.db2.gz JOXYTSIMDVEMLU-WJDWOHSUSA-N 0 0 418.234 3.702 50 10 HHCARN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008870244 571130158 /nfs/dbraw/zinc/13/01/58/571130158.db2.gz GXLUYJQQGVOHGY-VGOFMYFVSA-N 0 0 420.403 3.870 50 10 HHCARN COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1O ZINC000009007986 571210075 /nfs/dbraw/zinc/21/00/75/571210075.db2.gz BNJJEGJYFCYZKL-HNNXBMFYSA-N 0 0 424.320 3.642 50 10 HHCARN O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccccc1 ZINC000009419944 571256862 /nfs/dbraw/zinc/25/68/62/571256862.db2.gz OPAAJQHJMUCGLS-CAOOACKPSA-N 0 0 408.460 3.663 50 10 HHCARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010214487 571296787 /nfs/dbraw/zinc/29/67/87/571296787.db2.gz RGAZSWSIIDVHIY-HXUWFJFHSA-N 0 0 421.497 3.673 50 10 HHCARN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O ZINC000033286115 571316097 /nfs/dbraw/zinc/31/60/97/571316097.db2.gz ZUFSEPBTEKSEOZ-OQLLNIDSSA-N 0 0 420.899 3.600 50 10 HHCARN N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC=NN21 ZINC000004644059 960609659 /nfs/dbraw/zinc/60/96/59/960609659.db2.gz GEKGRLFTRWJTSP-NFFPZGGSSA-N 0 0 401.245 3.958 50 10 HHCARN CCCCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000015911910 962895012 /nfs/dbraw/zinc/89/50/12/962895012.db2.gz LAFBKUGLPHGJCQ-CNJXFHOHSA-N 0 0 404.532 3.954 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1ccc([N+](=O)[O-])cc1 ZINC000023115441 963770082 /nfs/dbraw/zinc/77/00/82/963770082.db2.gz HCNIREQWHALJHG-NTEUORMPSA-N 0 0 419.871 3.794 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000006661401 132312712 /nfs/dbraw/zinc/31/27/12/132312712.db2.gz CQMHSLGRBDLCJB-UHFFFAOYSA-N 0 0 414.303 3.901 50 10 HHCARN COc1ccc(N2CCN(C(=O)C[C@H](c3cccc(F)c3)n3cccc3)CC2)cc1 ZINC000020998224 132471899 /nfs/dbraw/zinc/47/18/99/132471899.db2.gz FKJQBVRSOWRSHS-HSZRJFAPSA-N 0 0 407.489 3.964 50 10 HHCARN [O-]c1ccc2c(Cc3ccccc3)noc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000041585931 526353539 /nfs/dbraw/zinc/35/35/39/526353539.db2.gz ZSWMUVCOVYQJEI-UHFFFAOYSA-N 0 0 400.482 3.841 50 10 HHCARN N=C1/C(=C\c2coc3ccccc3c2=O)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000020332266 526838941 /nfs/dbraw/zinc/83/89/41/526838941.db2.gz DURWAFWKPFAWGM-YPCMJIQLSA-N 0 0 414.446 3.655 50 10 HHCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(OS(C)(=O)=O)cc3)SC2=S)cc1 ZINC000003000539 557439721 /nfs/dbraw/zinc/43/97/21/557439721.db2.gz HQYTWAVARRUFNL-WJDWOHSUSA-N 0 0 405.522 3.739 50 10 HHCARN Cc1ccc(N2C(=O)/C(=C/c3ccccc3OS(C)(=O)=O)SC2=S)cc1 ZINC000003000881 557440030 /nfs/dbraw/zinc/44/00/30/557440030.db2.gz DXAKBZUTORMTOM-WJDWOHSUSA-N 0 0 405.522 3.739 50 10 HHCARN COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3ccccc3OC)C2=O)c1 ZINC000003657438 557497094 /nfs/dbraw/zinc/49/70/94/557497094.db2.gz BAMHDTGBHVSXJQ-WOJGMQOQSA-N 0 0 416.524 3.983 50 10 HHCARN CCCCN1C(=O)/C(=C\c2c(NCCC)nc3c(C)cccn3c2=O)SC1=S ZINC000005847252 557677249 /nfs/dbraw/zinc/67/72/49/557677249.db2.gz FXJGAZQOPGSFBJ-NTCAYCPXSA-N 0 0 416.572 3.826 50 10 HHCARN CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)SC1=S ZINC000006470591 557704028 /nfs/dbraw/zinc/70/40/28/557704028.db2.gz NOPNLFFOPXBOEW-SFQUDFHCSA-N 0 0 419.549 3.984 50 10 HHCARN CN1C(=O)/C(=C\c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000006578257 557709126 /nfs/dbraw/zinc/70/91/26/557709126.db2.gz IWTRARVOOFFKMC-SFQUDFHCSA-N 0 0 416.480 3.884 50 10 HHCARN CN1C(=O)/C(=C\c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000006578308 557709155 /nfs/dbraw/zinc/70/91/55/557709155.db2.gz HGGIEOSNKVTJPB-SFQUDFHCSA-N 0 0 416.480 3.884 50 10 HHCARN CC(=O)c1cccc(N2C(=O)C(=C3c4ccccc4N(C(C)=O)C3=O)SC2=S)c1 ZINC000002702159 557742711 /nfs/dbraw/zinc/74/27/11/557742711.db2.gz JEVWEOLZCPXLEA-ZCXUNETKSA-N 0 0 422.487 3.558 50 10 HHCARN O=C1/C(=C\c2ccco2)SC(=S)N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020057956 558329028 /nfs/dbraw/zinc/32/90/28/558329028.db2.gz ASKXNOLUQAZACC-SFQUDFHCSA-N 0 0 419.959 3.914 50 10 HHCARN COc1c(Br)cc(C=C2SC(=S)NC2=O)cc1Br ZINC000012417986 558402785 /nfs/dbraw/zinc/40/27/85/558402785.db2.gz FGDKWJUUYQTFFJ-XBXARRHUSA-N 0 0 409.124 3.709 50 10 HHCARN CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000013153528 558524139 /nfs/dbraw/zinc/52/41/39/558524139.db2.gz ACQINELRTJJBKZ-AQTBWJFISA-N 0 0 410.930 3.865 50 10 HHCARN C/C(=C1/C(=O)N(c2nc3ccccc3[nH]2)N=C1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000013856403 558598462 /nfs/dbraw/zinc/59/84/62/558598462.db2.gz QDJIXGSXYANCFP-PGMHBOJBSA-N 0 0 418.476 3.521 50 10 HHCARN COc1ccccc1OCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000013897588 558600667 /nfs/dbraw/zinc/60/06/67/558600667.db2.gz PRPKXIAFCQCYPT-QGOAFFKASA-N 0 0 401.509 3.984 50 10 HHCARN COc1cccc(-c2cc3ccc([O-])c(C[NH+]4CCC5(CC4)OCCO5)c3oc2=O)c1 ZINC000072238397 558637699 /nfs/dbraw/zinc/63/76/99/558637699.db2.gz ZEZCPBHNIJFXRS-UHFFFAOYSA-N 0 0 423.465 3.513 50 10 HHCARN COC(=O)c1ccc([C@H](c2c(O)ccc3ccc(OC)cc32)N2CCOCC2)cc1 ZINC000025573259 558644294 /nfs/dbraw/zinc/64/42/94/558644294.db2.gz LOZKNCITSXWWFA-HSZRJFAPSA-N 0 0 407.466 3.762 50 10 HHCARN Cc1cc(C(C)(C)C)cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1O ZINC000025765452 558649427 /nfs/dbraw/zinc/64/94/27/558649427.db2.gz UGZORDXEBRIXPQ-UHFFFAOYSA-N 0 0 408.589 3.566 50 10 HHCARN O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccco1 ZINC000027015628 558668112 /nfs/dbraw/zinc/66/81/12/558668112.db2.gz GYDUQUFTPYHJHX-QJISPJEISA-N 0 0 415.492 3.879 50 10 HHCARN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000004548462 558672556 /nfs/dbraw/zinc/67/25/56/558672556.db2.gz HGGWIBDZHHZAKF-WJDWOHSUSA-N 0 0 405.522 3.594 50 10 HHCARN O=C(Nc1ccccc1Cn1cccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072270536 558673287 /nfs/dbraw/zinc/67/32/87/558673287.db2.gz VXZIGIUQFZBQDC-FQEVSTJZSA-N 0 0 406.486 3.850 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1cccc(Cl)c1 ZINC000027533886 558674562 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10 HHCARN COc1cc2c(cc1OC)CN(C(=O)CSc1ncc(-c3ccccc3)n1C)CC2 ZINC000006653218 569082553 /nfs/dbraw/zinc/08/25/53/569082553.db2.gz GGLXRUOKYAQPNB-UHFFFAOYSA-N 0 0 423.538 3.781 50 10 HHCARN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1O ZINC000006721182 569099063 /nfs/dbraw/zinc/09/90/63/569099063.db2.gz MMCZCRQDZVWCRP-PQNGQFLHSA-N 0 0 418.424 3.973 50 10 HHCARN COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)[C@H]1CCCO1 ZINC000036359725 569151628 /nfs/dbraw/zinc/15/16/28/569151628.db2.gz LEIZQPIZWYBTSU-OAQYLSRUSA-N 0 0 406.486 3.573 50 10 HHCARN CN(C)c1ccc(CNC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000006978771 569192542 /nfs/dbraw/zinc/19/25/42/569192542.db2.gz NAZNYJOURFWZSC-UHFFFAOYSA-N 0 0 408.571 3.858 50 10 HHCARN CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)cc1 ZINC000065201293 569195514 /nfs/dbraw/zinc/19/55/14/569195514.db2.gz BKASHUOXLJYIQT-UHFFFAOYSA-N 0 0 419.550 3.943 50 10 HHCARN O=C(NCc1ccc(F)cc1Cl)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239734 569203472 /nfs/dbraw/zinc/20/34/72/569203472.db2.gz KAXBBAPCRMDYCD-UHFFFAOYSA-N 0 0 424.856 3.534 50 10 HHCARN COc1ccc(CCNC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000007423705 569237950 /nfs/dbraw/zinc/23/79/50/569237950.db2.gz PSURSJOEXRMGJH-UHFFFAOYSA-N 0 0 411.527 3.555 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nn3-c3ccccc3)CC2)cc1 ZINC000170625257 569250094 /nfs/dbraw/zinc/25/00/94/569250094.db2.gz RXGWCBQLBYIPON-UHFFFAOYSA-N 0 0 404.514 3.967 50 10 HHCARN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000640383 569287712 /nfs/dbraw/zinc/28/77/12/569287712.db2.gz ZUNJCQVFMHRTTP-UHFFFAOYSA-N 0 0 416.524 3.905 50 10 HHCARN CCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC ZINC000027614765 569376314 /nfs/dbraw/zinc/37/63/14/569376314.db2.gz WQJYCMLQFVAWIC-WJDWOHSUSA-N 0 0 409.529 3.638 50 10 biogenic HHCARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000008856561 571128088 /nfs/dbraw/zinc/12/80/88/571128088.db2.gz QFUKNTIBRNCWSW-UHFFFAOYSA-N 0 0 417.333 3.531 50 10 HHCARN N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000009303576 571246252 /nfs/dbraw/zinc/24/62/52/571246252.db2.gz GLOYMBPUKMSCSI-NMDPYAAQSA-N 0 0 424.869 3.931 50 10 HHCARN COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)c(OC)c1 ZINC000009309711 571247057 /nfs/dbraw/zinc/24/70/57/571247057.db2.gz QMHBSUUFHHGFOQ-WBXVYAGQSA-N 0 0 423.498 3.750 50 10 HHCARN Cc1cc(C(=O)COn2nnc3ccc(Cl)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009764476 571284935 /nfs/dbraw/zinc/28/49/35/571284935.db2.gz GWEJNUWPZHZATK-UHFFFAOYSA-N 0 0 424.844 3.532 50 10 HHCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1 ZINC000001198003 960460912 /nfs/dbraw/zinc/46/09/12/960460912.db2.gz JJACNKUPQDIRNF-UHFFFAOYSA-N 0 0 412.210 3.916 50 10 HHCARN CN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1NC(=O)Nc1cccc(Cl)c1 ZINC000006497718 960917263 /nfs/dbraw/zinc/91/72/63/960917263.db2.gz KJUCZCTVLSFYIV-ZCXUNETKSA-N 0 0 409.877 3.802 50 10 HHCARN CCN(CC)c1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 ZINC000007488794 961213854 /nfs/dbraw/zinc/21/38/54/961213854.db2.gz BODARHCUNWDNKY-LVZFUZTISA-N 0 0 404.514 3.809 50 10 HHCARN O=C(Cn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc21)N1CCOCC1 ZINC000014407227 962501607 /nfs/dbraw/zinc/50/16/07/962501607.db2.gz MWXFFOKRVKUAMC-YBFXNURJSA-N 0 0 421.884 3.646 50 10 HHCARN CN1CCC/C1=C1/C(=O)N(c2ccccc2)N=C1NC(=O)Nc1cccc(Cl)c1 ZINC000101952242 969196706 /nfs/dbraw/zinc/19/67/06/969196706.db2.gz KJUCZCTVLSFYIV-ISLYRVAYSA-N 0 0 409.877 3.802 50 10 HHCARN CCCSc1ncc(Cl)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000004759728 132288109 /nfs/dbraw/zinc/28/81/09/132288109.db2.gz QVSQOGAZVDAKKL-UHFFFAOYSA-N 0 0 406.939 3.603 50 10 HHCARN CCOc1cc([N+](=O)[O-])c(N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OCC ZINC000005637464 132307143 /nfs/dbraw/zinc/30/71/43/132307143.db2.gz AZKJAGIHJWNBFR-UHFFFAOYSA-N 0 0 413.474 3.921 50 10 HHCARN COc1ccc(N2CCN(c3cc(C)nc4nc(-c5ccc(C)cc5)nn43)CC2)cc1 ZINC000008594649 132330931 /nfs/dbraw/zinc/33/09/31/132330931.db2.gz JLUSWQUAGFZWFT-UHFFFAOYSA-N 0 0 414.513 3.743 50 10 HHCARN COc1ccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1OC ZINC000012564241 132364253 /nfs/dbraw/zinc/36/42/53/132364253.db2.gz SVQSJRUFXLAVJK-UHFFFAOYSA-N 0 0 412.530 3.904 50 10 HHCARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000032772567 519706713 /nfs/dbraw/zinc/70/67/13/519706713.db2.gz JLILOQPCMIJFFH-UHFFFAOYSA-N 0 0 422.529 3.866 50 10 HHCARN COc1ccc(CNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1OC ZINC000032765643 524065624 /nfs/dbraw/zinc/06/56/24/524065624.db2.gz GQWMJFDGNPWAHA-UHFFFAOYSA-N 0 0 422.481 3.813 50 10 HHCARN Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000032903784 526254036 /nfs/dbraw/zinc/25/40/36/526254036.db2.gz RVVROOIMWFHKIO-UHFFFAOYSA-N 0 0 403.530 3.970 50 10 HHCARN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000998652 557139150 /nfs/dbraw/zinc/13/91/50/557139150.db2.gz AVXHJGQGTSXHFP-UHFFFAOYSA-N 0 0 420.487 3.736 50 10 HHCARN Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)no1 ZINC000001182975 557232021 /nfs/dbraw/zinc/23/20/21/557232021.db2.gz VTMVPNKJUHVFQZ-LCYFTJDESA-N 0 0 407.904 3.866 50 10 HHCARN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)o1 ZINC000001187342 557234745 /nfs/dbraw/zinc/23/47/45/557234745.db2.gz UTCGHQAKDVXJBJ-MDWZMJQESA-N 0 0 423.313 3.897 50 10 HHCARN COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 ZINC000001238392 557250783 /nfs/dbraw/zinc/25/07/83/557250783.db2.gz VZFNXKVFJNHMDW-BOPFTXTBSA-N 0 0 415.492 3.896 50 10 HHCARN COC(=O)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3OC)C2=O)cc1 ZINC000003657089 557497088 /nfs/dbraw/zinc/49/70/88/557497088.db2.gz NAFHHAOSIHXWQW-BOPFTXTBSA-N 0 0 414.508 3.753 50 10 HHCARN CCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OC ZINC000004040140 557507269 /nfs/dbraw/zinc/50/72/69/557507269.db2.gz SBDGDGSAEJMTSN-VBKFSLOCSA-N 0 0 409.529 3.638 50 10 HHCARN CCN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)SC1=S ZINC000002959492 557773153 /nfs/dbraw/zinc/77/31/53/557773153.db2.gz NOPNLFFOPXBOEW-ATVHPVEESA-N 0 0 419.549 3.984 50 10 HHCARN CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)NC1=S ZINC000009295873 557835038 /nfs/dbraw/zinc/83/50/38/557835038.db2.gz UQPHOHNDAMGLLU-DHDCSXOGSA-N 0 0 421.291 3.855 50 10 HHCARN CC(C)(C)c1cc(CCC(=O)NN2C(=O)CSC2=S)cc(C(C)(C)C)c1O ZINC000005383790 558463545 /nfs/dbraw/zinc/46/35/45/558463545.db2.gz JJALUSWPAFWABU-UHFFFAOYSA-N 0 0 408.589 3.811 50 10 HHCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012895657 558483595 /nfs/dbraw/zinc/48/35/95/558483595.db2.gz FTHQXXQYJVVVEM-UHFFFAOYSA-N 0 0 407.466 3.536 50 10 biogenic HHCARN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(O)c2)C1=O ZINC000013305749 558529693 /nfs/dbraw/zinc/52/96/93/558529693.db2.gz GWSKKPNVTXFJFH-BOPFTXTBSA-N 0 0 414.508 3.631 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC ZINC000013601332 558547528 /nfs/dbraw/zinc/54/75/28/558547528.db2.gz AYMGJUVBQWHEQY-ATVHPVEESA-N 0 0 414.508 3.640 50 10 HHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(I)cc1 ZINC000013672523 558563010 /nfs/dbraw/zinc/56/30/10/558563010.db2.gz VDDUALBSHICXAR-UHFFFAOYSA-N 0 0 406.267 3.821 50 10 HHCARN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c1 ZINC000014010156 558613272 /nfs/dbraw/zinc/61/32/72/558613272.db2.gz ORXPSFXDGAHNER-KGENOOAVSA-N 0 0 415.449 3.978 50 10 HHCARN CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCCCOC ZINC000024941496 558621736 /nfs/dbraw/zinc/62/17/36/558621736.db2.gz KAMDKJMTSBTJBU-UHFFFAOYSA-N 0 0 412.353 3.577 50 10 HHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2nccs2)C1=O ZINC000027530480 558674073 /nfs/dbraw/zinc/67/40/73/558674073.db2.gz AWZPCSYAJDIIME-USTLKGCXSA-N 0 0 401.538 3.929 50 10 HHCARN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000072277265 558703266 /nfs/dbraw/zinc/70/32/66/558703266.db2.gz FUDMLYYDMIVLMI-MOPGFXCFSA-N 0 0 402.897 3.860 50 10 HHCARN COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4ccc(OC)cc43)C[C@H]2C)cc1 ZINC000034828800 558784410 /nfs/dbraw/zinc/78/44/10/558784410.db2.gz VMGWIRHCVADYMU-MRXNPFEDSA-N 0 0 407.514 3.887 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O ZINC000013687192 558855565 /nfs/dbraw/zinc/85/55/65/558855565.db2.gz BWHMWTAVQIWQKN-DHDCSXOGSA-N 0 0 420.899 3.600 50 10 HHCARN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1 ZINC000033071588 558866591 /nfs/dbraw/zinc/86/65/91/558866591.db2.gz LVMPHWWQHQERDS-INIZCTEOSA-N 0 0 411.937 3.815 50 10 HHCARN CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1O ZINC000004725401 558926280 /nfs/dbraw/zinc/92/62/80/558926280.db2.gz APVHUFQWARLKCO-LQFYYXEQSA-N 0 0 406.467 3.653 50 10 HHCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3OC)C2=N)S1 ZINC000033332230 559063060 /nfs/dbraw/zinc/06/30/60/559063060.db2.gz BJIMTVCDLQDYIB-PKNOWDFQSA-N 0 0 407.293 3.877 50 10 HHCARN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccccc1 ZINC000096435818 559110166 /nfs/dbraw/zinc/11/01/66/559110166.db2.gz VPKPDPFTETWPRW-XSFVSMFZSA-N 0 0 420.494 3.626 50 10 HHCARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(N2CCOCC2)cc1 ZINC000004817401 559114720 /nfs/dbraw/zinc/11/47/20/559114720.db2.gz BTAYNEZCOXSBII-CVJKAFSHSA-N 0 0 403.526 3.550 50 10 HHCARN CC(NN=c1[nH]c2ccccc2s1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100095640 559146830 /nfs/dbraw/zinc/14/68/30/559146830.db2.gz IKPYGSMJMNLTHN-BOPFTXTBSA-N 0 0 408.443 3.818 50 10 HHCARN COc1ccc(N2CCN(c3cc(C(=O)N4CCCC4)c4ccccc4n3)CC2)cc1 ZINC000023330287 559167969 /nfs/dbraw/zinc/16/79/69/559167969.db2.gz WQBRNUSJRYSVEM-UHFFFAOYSA-N 0 0 416.525 3.806 50 10 HHCARN CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1 ZINC000005013836 559228254 /nfs/dbraw/zinc/22/82/54/559228254.db2.gz XGTUQRKSUVARKN-IFSHFEHQSA-N 0 0 417.421 3.755 50 10 HHCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 ZINC000005035165 559232862 /nfs/dbraw/zinc/23/28/62/559232862.db2.gz YDZOSJKXWVVGJE-DTGSLFFUSA-N 0 0 412.496 3.759 50 10 HHCARN COc1ccc(N2CCN(C(=O)COc3ccc4ccc(OC)cc4c3)CC2)cc1 ZINC000005355533 560569448 /nfs/dbraw/zinc/56/94/48/560569448.db2.gz XSQLYBCXQAVGHD-UHFFFAOYSA-N 0 0 406.482 3.585 50 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ZINC000007502983 568481452 /nfs/dbraw/zinc/48/14/52/568481452.db2.gz ORVVXARWHIVTLV-QGOAFFKASA-N 0 0 422.554 3.830 50 10 HHCARN CN(C)c1ccc(/C=C/C2=CC(=C3C(=O)N(C)C(=O)N(C)C3=O)CC(C)(C)C2)cc1 ZINC000685944749 568722817 /nfs/dbraw/zinc/72/28/17/568722817.db2.gz UUXUHXDRWLMYMH-BQYQJAHWSA-N 0 0 407.514 3.859 50 10 HHCARN CC(=O)N1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCCC5)cc4)cc3c2C1 ZINC000096363716 568739541 /nfs/dbraw/zinc/73/95/41/568739541.db2.gz NVBFKMDWPJKWBB-UHFFFAOYSA-N 0 0 416.525 3.603 50 10 HHCARN CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 ZINC000021886898 568758643 /nfs/dbraw/zinc/75/86/43/568758643.db2.gz RTUGIXBJSDPDLF-JOCHJYFZSA-N 0 0 413.949 3.526 50 10 HHCARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2ccccc2S(=O)(=O)N3)cc1 ZINC000001085832 568768019 /nfs/dbraw/zinc/76/80/19/568768019.db2.gz KIAIWGCNEMTYEN-UHFFFAOYSA-N 0 0 400.481 3.577 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)cc1 ZINC000056906630 568821144 /nfs/dbraw/zinc/82/11/44/568821144.db2.gz 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O=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691969 557372644 /nfs/dbraw/zinc/37/26/44/557372644.db2.gz FQDWKKQQEXRTHP-QFIPXVFZSA-N 0 0 412.505 3.817 50 10 HHCARN COC(=O)C1=C(C(=O)OC)SC(=C2c3ccccc3NC(C)(C)C2=S)S1 ZINC000003880368 557502444 /nfs/dbraw/zinc/50/24/44/557502444.db2.gz FMAFPBCYNPALIA-UHFFFAOYSA-N 0 0 407.538 3.967 50 10 HHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=N)S1 ZINC000004594329 557570749 /nfs/dbraw/zinc/57/07/49/557570749.db2.gz BJIMTVCDLQDYIB-GXGXXEIJSA-N 0 0 407.293 3.877 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O ZINC000002702134 557742715 /nfs/dbraw/zinc/74/27/15/557742715.db2.gz RPSOGLMPNJYZCH-YVLHZVERSA-N 0 0 400.481 3.765 50 10 HHCARN CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 ZINC000002948378 557773870 /nfs/dbraw/zinc/77/38/70/557773870.db2.gz ODQNXRHZLNPQLE-HNNXBMFYSA-N 0 0 424.522 3.572 50 10 HHCARN CN1CCc2cc([C@@H](CNC(=O)c3cccc4ccccc43)N3CCOCC3)ccc21 ZINC000022733482 557807474 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3.680 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000014009194 558612899 /nfs/dbraw/zinc/61/28/99/558612899.db2.gz KRDBOPCHUCHBPF-UYRXBGFRSA-N 0 0 408.410 3.871 50 10 HHCARN O=S(=O)(c1cccs1)N1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 ZINC000025665620 558646961 /nfs/dbraw/zinc/64/69/61/558646961.db2.gz LGBYGHDUFMSLBN-UHFFFAOYSA-N 0 0 422.959 3.767 50 10 HHCARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000027824381 558683714 /nfs/dbraw/zinc/68/37/14/558683714.db2.gz CWVTZCAFLSPDIL-UHFFFAOYSA-N 0 0 418.559 3.693 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1O ZINC000015015243 558701573 /nfs/dbraw/zinc/70/15/73/558701573.db2.gz FTSURFNIUXDDAU-IUXPMGMMSA-N 0 0 401.465 3.531 50 10 HHCARN COc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)C1=O ZINC000015412357 558738085 /nfs/dbraw/zinc/73/80/85/558738085.db2.gz JWZJYWSICIMKOE-XMMPIXPASA-N 0 0 415.493 3.882 50 10 HHCARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(N(C)C)cc2)C3)c(OC)c1 ZINC000015778933 558753058 /nfs/dbraw/zinc/75/30/58/558753058.db2.gz SVKZVFAGLBOSQC-UHFFFAOYSA-N 0 0 419.529 3.862 50 10 HHCARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2 ZINC000015830044 558755203 /nfs/dbraw/zinc/75/52/03/558755203.db2.gz FINXACAXHMFTJR-GOSISDBHSA-N 0 0 409.486 3.570 50 10 biogenic HHCARN CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O ZINC000016805189 558807350 /nfs/dbraw/zinc/80/73/50/558807350.db2.gz RJZLKVMBWRZONA-PBBNAPBQSA-N 0 0 402.545 3.516 50 10 HHCARN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000004677060 558889388 /nfs/dbraw/zinc/88/93/88/558889388.db2.gz KVQSIVMZLNFQLK-CPNJWEJPSA-N 0 0 409.511 3.753 50 10 HHCARN COc1cc(Br)cc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000019632916 558947312 /nfs/dbraw/zinc/94/73/12/558947312.db2.gz QBWDPQSAVBQBTI-VMPITWQZSA-N 0 0 417.347 3.994 50 10 HHCARN CCCC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000023181521 559031414 /nfs/dbraw/zinc/03/14/14/559031414.db2.gz WPYMFTFXUDYVDQ-JTSKRJEESA-N 0 0 401.576 3.925 50 10 HHCARN CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000004745469 559046447 /nfs/dbraw/zinc/04/64/47/559046447.db2.gz JJIJRYUYJMQJCM-FOWTUZBSSA-N 0 0 402.497 3.908 50 10 HHCARN CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745607 559046540 /nfs/dbraw/zinc/04/65/40/559046540.db2.gz WDILTTCCJDLMDY-GHRIWEEISA-N 0 0 400.525 3.920 50 10 HHCARN COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(OC)c1O ZINC000100540983 559223417 /nfs/dbraw/zinc/22/34/17/559223417.db2.gz IVIHPZLBUDTFNS-VIZOYTHASA-N 0 0 417.259 3.978 50 10 HHCARN Cc1cc(C(=O)Oc2ccc(C=C3SC(=S)NC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000005201148 560537865 /nfs/dbraw/zinc/53/78/65/560537865.db2.gz PEXDPSAYRKEFES-OVCLIPMQSA-N 0 0 400.437 3.611 50 10 HHCARN C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C[C@H](C)O1 ZINC000005234432 560548014 /nfs/dbraw/zinc/54/80/14/560548014.db2.gz UIXNUDFWMNUMMU-ZASVFINYSA-N 0 0 413.455 3.934 50 10 HHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc(OC)c1O ZINC000103548066 560843049 /nfs/dbraw/zinc/84/30/49/560843049.db2.gz RLPCGRKFMJJHBV-QGOAFFKASA-N 0 0 409.438 3.677 50 10 HHCARN CCCCN1C(=O)[C@@H]2ON(c3ccccc3C)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O ZINC000101997275 560852328 /nfs/dbraw/zinc/85/23/28/560852328.db2.gz UUVFPIFGOGYEQR-YPAWHYETSA-N 0 0 407.514 3.708 50 10 HHCARN CCOc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000020057695 568586801 /nfs/dbraw/zinc/58/68/01/568586801.db2.gz LMLCXGUMHVTMFU-LTGZKZEYSA-N 0 0 407.539 3.873 50 10 HHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N2O1 ZINC000020236859 568595714 /nfs/dbraw/zinc/59/57/14/568595714.db2.gz QTPZPWUWNIJQAA-WYWZIVHKSA-N 0 0 404.382 3.624 50 10 HHCARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 ZINC000002966280 568617870 /nfs/dbraw/zinc/61/78/70/568617870.db2.gz KRPXZCQUJFZWJG-LFIBNONCSA-N 0 0 405.522 3.594 50 10 HHCARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1 ZINC000021540429 568713788 /nfs/dbraw/zinc/71/37/88/568713788.db2.gz USGDLWDKYRLHDR-UHFFFAOYSA-N 0 0 416.587 3.947 50 10 HHCARN COc1ccc(N2CCN(c3nc(C(=O)N[C@H](C)c4ccccc4)cs3)CC2)cc1 ZINC000096386296 568742887 /nfs/dbraw/zinc/74/28/87/568742887.db2.gz AIZWLPOMUOZRNI-QGZVFWFLSA-N 0 0 422.554 3.969 50 10 HHCARN COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 ZINC000001009669 568762548 /nfs/dbraw/zinc/76/25/48/568762548.db2.gz UAPQBDMDGQDOQX-SFQUDFHCSA-N 0 0 414.508 3.631 50 10 HHCARN COCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000002648266 568795692 /nfs/dbraw/zinc/79/56/92/568795692.db2.gz HXVWXMZNFNTZMU-QNGOZBTKSA-N 0 0 407.466 3.585 50 10 HHCARN COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3)c3ccco3)CC2)cc1 ZINC000056946265 568821802 /nfs/dbraw/zinc/82/18/02/568821802.db2.gz OFEBWIIBUKGMOA-JOCHJYFZSA-N 0 0 405.498 3.582 50 10 HHCARN COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)co3)CC2)cc1 ZINC000056949870 568821913 /nfs/dbraw/zinc/82/19/13/568821913.db2.gz WVRYSKSKZDUBEQ-UHFFFAOYSA-N 0 0 420.509 3.858 50 10 HHCARN COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)co3)CC2)cc1 ZINC000056949953 568822202 /nfs/dbraw/zinc/82/22/02/568822202.db2.gz XSBAQOUQIKSGQZ-UHFFFAOYSA-N 0 0 424.472 3.689 50 10 HHCARN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000057378543 568830268 /nfs/dbraw/zinc/83/02/68/568830268.db2.gz VBVZXZRNRLAZNW-OAHLLOKOSA-N 0 0 407.436 3.863 50 10 HHCARN COc1ccc(N2CCN(CC(=O)Nc3ccc(SC(F)F)cc3)CC2)cc1 ZINC000057548374 568852789 /nfs/dbraw/zinc/85/27/89/568852789.db2.gz KDOLBTAMOQOYOB-UHFFFAOYSA-N 0 0 407.486 3.771 50 10 HHCARN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3c(F)cccc3F)sc2n1 ZINC000012552914 568854205 /nfs/dbraw/zinc/85/42/05/568854205.db2.gz YFTWFSZVRKZAQK-SNVBAGLBSA-N 0 0 405.426 3.958 50 10 HHCARN Cc1cc(C(=O)[C@H](C)Sc2nnnn2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003278831 568871341 /nfs/dbraw/zinc/87/13/41/568871341.db2.gz ZHVAFJYGWRGGCH-LBPRGKRZSA-N 0 0 407.446 3.583 50 10 HHCARN O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000012684540 568908131 /nfs/dbraw/zinc/90/81/31/568908131.db2.gz ATLPNCBGAKJKJT-UHFFFAOYSA-N 0 0 416.385 3.521 50 10 HHCARN Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000001409503 568928948 /nfs/dbraw/zinc/92/89/48/568928948.db2.gz AQBVAFNSIWHCIL-UHFFFAOYSA-N 0 0 405.429 3.571 50 10 HHCARN CCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(CC)C2=O)SC1=S ZINC000016805419 568938170 /nfs/dbraw/zinc/93/81/70/568938170.db2.gz BTCYUMYSGWPOEC-SEYXRHQNSA-N 0 0 411.346 3.797 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)c1 ZINC000004174720 568948510 /nfs/dbraw/zinc/94/85/10/568948510.db2.gz VAWHKRZHLMSOPU-VKAVYKQESA-N 0 0 404.557 3.689 50 10 HHCARN CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000004263417 568955891 /nfs/dbraw/zinc/95/58/91/568955891.db2.gz NABJGUILWRWDGT-VBKFSLOCSA-N 0 0 409.529 3.638 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3[nH]nc4c3CSc3ccccc3-4)CC2)cc1 ZINC000015675240 568963284 /nfs/dbraw/zinc/96/32/84/568963284.db2.gz HMXFQQVJJNCOEW-UHFFFAOYSA-N 0 0 406.511 3.653 50 10 HHCARN Cc1ccc([C@@H](c2ccccc2O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012939026 569027999 /nfs/dbraw/zinc/02/79/99/569027999.db2.gz KQRSUJLLHDIRQM-DEOSSOPVSA-N 0 0 422.550 3.797 50 10 HHCARN Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccccc1F ZINC000006365437 569045990 /nfs/dbraw/zinc/04/59/90/569045990.db2.gz XPATZIFIWSKKIG-UHFFFAOYSA-N 0 0 414.477 3.656 50 10 HHCARN COc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)CC(C)(C)C)cc1 ZINC000035963671 569068986 /nfs/dbraw/zinc/06/89/86/569068986.db2.gz ZSAFBFOXAWMLTH-OAQYLSRUSA-N 0 0 424.545 3.606 50 10 HHCARN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccccc2Cl)cc1 ZINC000006747946 569108703 /nfs/dbraw/zinc/10/87/03/569108703.db2.gz LHKFTIQWIZVMMU-IBGZPJMESA-N 0 0 402.922 3.993 50 10 HHCARN Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1F ZINC000065096287 569176803 /nfs/dbraw/zinc/17/68/03/569176803.db2.gz UGAOZUGNNGRNMZ-UHFFFAOYSA-N 0 0 404.438 3.662 50 10 HHCARN COc1ccc(C2(Nc3ccc4c(c3)OCCO4)C(=O)c3ccccc3C2=O)cc1 ZINC000006902074 569178023 /nfs/dbraw/zinc/17/80/23/569178023.db2.gz GRUKQKHDIPBZJL-UHFFFAOYSA-N 0 0 401.418 3.853 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 ZINC000006996400 569197138 /nfs/dbraw/zinc/19/71/38/569197138.db2.gz NMEPTTVDOWQLRL-NVMNQCDNSA-N 0 0 412.580 3.973 50 10 HHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000007130737 569225327 /nfs/dbraw/zinc/22/53/27/569225327.db2.gz PKOJJTJTHPJKBK-UHFFFAOYSA-N 0 0 406.511 3.710 50 10 HHCARN Cc1cc(C(=O)COC(=O)CCn2c(=O)oc3ccccc32)c(C)n1-c1ccccc1 ZINC000007226804 569229611 /nfs/dbraw/zinc/22/96/11/569229611.db2.gz WKEHNTQFZZNJFC-UHFFFAOYSA-N 0 0 418.449 3.818 50 10 HHCARN COc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc2ccccc21 ZINC000065551681 569235219 /nfs/dbraw/zinc/23/52/19/569235219.db2.gz PUTKVQZQDGHFET-HZPDHXFCSA-N 0 0 423.488 3.926 50 10 HHCARN CCOC(=O)c1sc(NC(=O)CSc2ncc(-c3ccccc3)n2C)nc1C ZINC000007423197 569237873 /nfs/dbraw/zinc/23/78/73/569237873.db2.gz HENNLSHRYUGEDD-UHFFFAOYSA-N 0 0 416.528 3.760 50 10 HHCARN COc1ccc(N2CCN(C(=O)Cc3csc(Nc4ccccc4)n3)CC2)cc1 ZINC000016849996 569265783 /nfs/dbraw/zinc/26/57/83/569265783.db2.gz WGRBAXQMGNKFOX-UHFFFAOYSA-N 0 0 408.527 3.787 50 10 HHCARN CCn1c(=O)c2c(nc1SCC(=O)c1ccc(O)c(O)c1)sc1c2CCCC1 ZINC000002366572 569282652 /nfs/dbraw/zinc/28/26/52/569282652.db2.gz ARYVDNDRBGAITD-UHFFFAOYSA-N 0 0 416.524 3.743 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000078800530 569420465 /nfs/dbraw/zinc/42/04/65/569420465.db2.gz ABJZQDDZSBJFPY-IRLDBZIGSA-N 0 0 414.933 3.917 50 10 HHCARN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccccc1F ZINC000008658461 571099401 /nfs/dbraw/zinc/09/94/01/571099401.db2.gz YNGDLQZJKOLUJG-UHFFFAOYSA-N 0 0 411.477 3.917 50 10 HHCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(-c3ccccc3)n2)cc1 ZINC000040069922 571150933 /nfs/dbraw/zinc/15/09/33/571150933.db2.gz NQPSMGOKWJUHMC-UHFFFAOYSA-N 0 0 401.470 3.769 50 10 HHCARN Cc1c(N2C(=O)/C(=C\c3ccccc3O)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000009034280 571213014 /nfs/dbraw/zinc/21/30/14/571213014.db2.gz IAFCQLIEMKYFIA-SFQUDFHCSA-N 0 0 423.519 3.596 50 10 HHCARN COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCC(C)C)[C@@H]3C2)cc1 ZINC000245329689 571225423 /nfs/dbraw/zinc/22/54/23/571225423.db2.gz VNMJMUAWVGHPQQ-UPVQGACJSA-N 0 0 407.558 3.725 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(Cl)cc1Cl ZINC000009477358 571261785 /nfs/dbraw/zinc/26/17/85/571261785.db2.gz QGMXGSJENGHGCV-MLPAPPSSSA-N 0 0 410.307 3.935 50 10 HHCARN Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009781389 571285232 /nfs/dbraw/zinc/28/52/32/571285232.db2.gz LMQDQJDMKPLEAC-UHFFFAOYSA-N 0 0 423.450 3.584 50 10 HHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000009972500 571293406 /nfs/dbraw/zinc/29/34/06/571293406.db2.gz YIIJDOMAOJTRIX-NXVVXOECSA-N 0 0 413.455 3.512 50 10 HHCARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c(Br)c3)c3cccc1c23 ZINC000009404640 961640078 /nfs/dbraw/zinc/64/00/78/961640078.db2.gz BRURZRRWOVEARE-UHFFFAOYSA-N 0 0 419.256 3.674 50 10 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Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000027019963 558668465 /nfs/dbraw/zinc/66/84/65/558668465.db2.gz QKZIHJFNGTUZSW-UHFFFAOYSA-N 0 0 414.465 3.590 50 10 HHCARN Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028265343 558693967 /nfs/dbraw/zinc/69/39/67/558693967.db2.gz GKWNCTDPHYTQQK-UHFFFAOYSA-N 0 0 417.509 3.828 50 10 HHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000004559388 558727115 /nfs/dbraw/zinc/72/71/15/558727115.db2.gz OHSZGYNSJIDMPX-NDENLUEZSA-N 0 0 407.466 3.885 50 10 HHCARN COc1ccc(Br)cc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O ZINC000004577607 558754314 /nfs/dbraw/zinc/75/43/14/558754314.db2.gz VXUUJDWCPCERNV-YTQSSNFRSA-N 0 0 407.293 3.733 50 10 HHCARN CN(C)c1ccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000033031878 558856661 /nfs/dbraw/zinc/85/66/61/558856661.db2.gz UVCSMAMGNOOPMS-UHFFFAOYSA-N 0 0 420.488 3.556 50 10 HHCARN O=C(Nc1cccc(N2CCOC2=O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000058162033 558905930 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O=C1N=C(N2CCCC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000005149742 559253429 /nfs/dbraw/zinc/25/34/29/559253429.db2.gz DPTSRNZBNGMMQN-JXAWBTAJSA-N 0 0 414.508 3.520 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1Br ZINC000010907495 560771124 /nfs/dbraw/zinc/77/11/24/560771124.db2.gz DXHGFMVIQHMKQM-UHFFFAOYSA-N 0 0 407.283 3.697 50 10 HHCARN Cc1cccc(C)c1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000005711375 560829177 /nfs/dbraw/zinc/82/91/77/560829177.db2.gz SXMKACXSJOUWJG-UHFFFAOYSA-N 0 0 413.429 3.874 50 10 HHCARN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C(=O)Nc1ccccc1)c1ccc(O)cc1 ZINC000390825648 568591070 /nfs/dbraw/zinc/59/10/70/568591070.db2.gz BCDRDMPKTRISKD-MBHVZWCOSA-N 0 0 418.449 3.655 50 10 HHCARN COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)c(C)c3)CC2)cc1 ZINC000020662120 568639264 /nfs/dbraw/zinc/63/92/64/568639264.db2.gz OVGANNWDYXQNMQ-UHFFFAOYSA-N 0 0 414.513 3.768 50 10 HHCARN COc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3-c3ccccc3)CC2)cc1 ZINC000012420119 568719577 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569063804 /nfs/dbraw/zinc/06/38/04/569063804.db2.gz XOAWCMBYCSAJIM-UHFFFAOYSA-N 0 0 407.352 3.652 50 10 biogenic HHCARN COC(=O)C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O ZINC000064979219 569140837 /nfs/dbraw/zinc/14/08/37/569140837.db2.gz FPEUXEQMAOKJMI-UHFFFAOYSA-N 0 0 417.336 3.664 50 10 HHCARN COC(=O)C1=CN(c2cccc(Br)c2)c2ccc(F)cc2S1(=O)=O ZINC000064979293 569140901 /nfs/dbraw/zinc/14/09/01/569140901.db2.gz HSQCCTOZHVOQDB-UHFFFAOYSA-N 0 0 412.236 3.528 50 10 HHCARN COC(=O)C1=CN(c2ccc(C)cc2)c2cc(Br)ccc2S1(=O)=O ZINC000064979261 569140915 /nfs/dbraw/zinc/14/09/15/569140915.db2.gz UBIZZNFAFIBWCQ-UHFFFAOYSA-N 0 0 408.273 3.697 50 10 HHCARN Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1F ZINC000065096229 569176688 /nfs/dbraw/zinc/17/66/88/569176688.db2.gz UBOWHDSQIVUNIG-UHFFFAOYSA-N 0 0 400.475 3.913 50 10 HHCARN CCc1nnc(-c2nnc(N3CCN(c4ccc(OC)cc4)CC3)c3ccccc32)o1 ZINC000065258187 569210126 /nfs/dbraw/zinc/21/01/26/569210126.db2.gz ZRALHOBQMZFLFG-UHFFFAOYSA-N 0 0 416.485 3.577 50 10 HHCARN COc1ccc(N(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007278527 569231201 /nfs/dbraw/zinc/23/12/01/569231201.db2.gz RKCGKANMHHRHCI-UHFFFAOYSA-N 0 0 415.515 3.762 50 10 HHCARN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000071824362 569254558 /nfs/dbraw/zinc/25/45/58/569254558.db2.gz JVGCIUUGPIEYQX-WAIKUNEKSA-N 0 0 409.507 3.576 50 10 HHCARN O=C1c2ccccc2N[C@H](c2cccc(Br)c2O)N1C[C@H]1CCCO1 ZINC000054681739 569293786 /nfs/dbraw/zinc/29/37/86/569293786.db2.gz XAZFSJNVTDYTDT-XIKOKIGWSA-N 0 0 403.276 3.900 50 10 HHCARN CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000027475079 569324053 /nfs/dbraw/zinc/32/40/53/569324053.db2.gz CLNVQZGLCORUSQ-WJDWOHSUSA-N 0 0 417.943 3.952 50 10 HHCARN CN1C(=O)/C(=C\c2ccc(OCCOCCOc3ccccc3)cc2)SC1=S ZINC000027531606 569366887 /nfs/dbraw/zinc/36/68/87/569366887.db2.gz ZMBNJUNBGATBHB-XDJHFCHBSA-N 0 0 415.536 3.992 50 10 HHCARN N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000018122036 569383730 /nfs/dbraw/zinc/38/37/30/569383730.db2.gz UYEOJDFXCVTKAQ-BTWTVLLVSA-N 0 0 401.451 3.866 50 10 HHCARN O=S(=O)(NCCCSc1nccs1)c1ccc2nc(Cl)sc2c1 ZINC000079108452 569427882 /nfs/dbraw/zinc/42/78/82/569427882.db2.gz DWFBKUREXRBBKU-UHFFFAOYSA-N 0 0 405.979 3.867 50 10 HHCARN Cc1cccc2[nH]cc(C3=CCN(c4nc5ccccn5c(=O)c4[N+](=O)[O-])CC3)c21 ZINC000040139291 571189191 /nfs/dbraw/zinc/18/91/91/571189191.db2.gz KKXMYOGOXSLOAC-UHFFFAOYSA-N 0 0 401.426 3.686 50 10 HHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2c(c1)OCO2 ZINC000009444407 571259414 /nfs/dbraw/zinc/25/94/14/571259414.db2.gz IKIKZVOZWYIKKL-MHWRWJLKSA-N 0 0 416.480 3.628 50 10 HHCARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2nccnc2c1 ZINC000009575809 571269678 /nfs/dbraw/zinc/26/96/78/571269678.db2.gz OILMJQIWIIUCKW-DHDCSXOGSA-N 0 0 412.521 3.531 50 10 HHCARN CN(C)c1ccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 ZINC000009863111 571288846 /nfs/dbraw/zinc/28/88/46/571288846.db2.gz RUZUSQINLCYCBX-UHFFFAOYSA-N 0 0 400.482 3.909 50 10 HHCARN CCN(CC)c1ccc(CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000009932471 571290968 /nfs/dbraw/zinc/29/09/68/571290968.db2.gz GRYHINIYQHXVER-UHFFFAOYSA-N 0 0 408.498 3.985 50 10 HHCARN O=C(/C=C/c1cccs1)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000009138758 961622598 /nfs/dbraw/zinc/62/25/98/961622598.db2.gz HKZBFKOKRLTKQY-CSKARUKUSA-N 0 0 417.442 3.719 50 10 HHCARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCCN1CCOCC1 ZINC000014190511 962441860 /nfs/dbraw/zinc/44/18/60/962441860.db2.gz JXQDHDYEUYCAKX-PTNGSMBKSA-N 0 0 417.383 3.917 50 10 HHCARN CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(Cc2ccco2)C1=O ZINC000016265490 962996938 /nfs/dbraw/zinc/99/69/38/962996938.db2.gz QTTXOJYZIWEGQX-PDGQHHTCSA-N 0 0 406.463 3.658 50 10 HHCARN CCOc1ccc2[nH]c3c(ncnc3N3CCN(c4ccc(OC)cc4)CC3)c2c1 ZINC000002416974 132254251 /nfs/dbraw/zinc/25/42/51/132254251.db2.gz RITLRRQHYOWHBL-UHFFFAOYSA-N 0 0 403.486 3.845 50 10 HHCARN CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=S ZINC000004668690 132281569 /nfs/dbraw/zinc/28/15/69/132281569.db2.gz GRIAGFHAJQSJQC-GHRIWEEISA-N 0 0 410.495 3.658 50 10 HHCARN COc1cc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc(OC)c1OC ZINC000005348396 132305218 /nfs/dbraw/zinc/30/52/18/132305218.db2.gz SDXVLNOXUFNZCF-UHFFFAOYSA-N 0 0 423.465 3.972 50 10 HHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008165346 132328190 /nfs/dbraw/zinc/32/81/90/132328190.db2.gz UPQRLCITBZEVKT-UHFFFAOYSA-N 0 0 410.518 3.667 50 10 HHCARN COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccccc4F)n3)CC2)cc1 ZINC000011865897 132351438 /nfs/dbraw/zinc/35/14/38/132351438.db2.gz PBXBHWROUJNKGZ-UHFFFAOYSA-N 0 0 411.502 3.849 50 10 HHCARN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000012634305 132365506 /nfs/dbraw/zinc/36/55/06/132365506.db2.gz JNYIXASKGJMFCG-UHFFFAOYSA-N 0 0 415.342 3.651 50 10 HHCARN CCCCOc1ccc(N2CCn3c4ccc(NS(C)(=O)=O)cc4nc3C2)cc1 ZINC000013690337 132458921 /nfs/dbraw/zinc/45/89/21/132458921.db2.gz HXPAUSINNVBQGZ-UHFFFAOYSA-N 0 0 414.531 3.607 50 10 HHCARN CC(C)CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S ZINC000020310797 519719171 /nfs/dbraw/zinc/71/91/71/519719171.db2.gz NZAFRXPQKGEYGK-PDGQHHTCSA-N 0 0 413.568 3.929 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000020603824 522247481 /nfs/dbraw/zinc/24/74/81/522247481.db2.gz KXCFPDNQIMXTAT-FQEVSTJZSA-N 0 0 421.463 3.575 50 10 HHCARN CCc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(-c2ccccc2)n1 ZINC000040455708 522545010 /nfs/dbraw/zinc/54/50/10/522545010.db2.gz XPZBUNAGYAVKJR-UHFFFAOYSA-N 0 0 402.498 3.677 50 10 HHCARN COc1ccc(N2CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000016945716 524424534 /nfs/dbraw/zinc/42/45/34/524424534.db2.gz HBDFKPPXHIAJCX-UHFFFAOYSA-N 0 0 408.527 3.579 50 10 HHCARN COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)c2C)c1 ZINC000030231321 525745481 /nfs/dbraw/zinc/74/54/81/525745481.db2.gz FNSNOYJGPPTWJL-UHFFFAOYSA-N 0 0 413.499 3.727 50 10 HHCARN COc1ccc(Br)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000010906466 536622221 /nfs/dbraw/zinc/62/22/21/536622221.db2.gz NFPIIEGKCRSWPG-UHFFFAOYSA-N 0 0 419.319 3.567 50 10 HHCARN Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000000631981 557027056 /nfs/dbraw/zinc/02/70/56/557027056.db2.gz ZRDFSRMSIKMGTQ-UHFFFAOYSA-N 0 0 403.507 3.597 50 10 HHCARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 ZINC000000799800 557084351 /nfs/dbraw/zinc/08/43/51/557084351.db2.gz METWSRHAUIOERA-SFHVURJKSA-N 0 0 400.935 3.838 50 10 HHCARN CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(Br)c1O ZINC000001186344 557234167 /nfs/dbraw/zinc/23/41/67/557234167.db2.gz HRPZIZGSOXNSDC-UHFFFAOYSA-N 0 0 413.264 3.799 50 10 HHCARN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccccc1 ZINC000001218685 557247436 /nfs/dbraw/zinc/24/74/36/557247436.db2.gz OJTICTILRRCXHC-SSZFMOIBSA-N 0 0 402.566 3.698 50 10 HHCARN COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1O ZINC000003858716 557501367 /nfs/dbraw/zinc/50/13/67/557501367.db2.gz HTGLBBROXDOAMY-TVQOXHERSA-N 0 0 412.858 3.722 50 10 HHCARN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000004482827 557558543 /nfs/dbraw/zinc/55/85/43/557558543.db2.gz CZTFGWXAIXIAPL-XNTDXEJSSA-N 0 0 400.437 3.787 50 10 HHCARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000004668952 557579129 /nfs/dbraw/zinc/57/91/29/557579129.db2.gz AQJPMTQXDVJMLH-UHFFFAOYSA-N 0 0 408.508 3.769 50 10 HHCARN CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)NC1=S ZINC000004754360 557593124 /nfs/dbraw/zinc/59/31/24/557593124.db2.gz XJMKSBSFUNPREE-GDNBJRDFSA-N 0 0 403.301 3.716 50 10 HHCARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Br)c2)ccc1Cl ZINC000004973908 557619041 /nfs/dbraw/zinc/61/90/41/557619041.db2.gz KAYRZSCFXGUCBX-UHFFFAOYSA-N 0 0 407.629 3.517 50 10 HHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000012419411 558403015 /nfs/dbraw/zinc/40/30/15/558403015.db2.gz NGDKPMVSPCODHB-SXGWCWSVSA-N 0 0 402.453 3.671 50 10 HHCARN CN(C)c1ccc(CN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 ZINC000023652598 558565271 /nfs/dbraw/zinc/56/52/71/558565271.db2.gz OXTLOFWOHMSTOJ-UHFFFAOYSA-N 0 0 400.567 3.669 50 10 HHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000013758705 558590788 /nfs/dbraw/zinc/59/07/88/558590788.db2.gz ILYZBEZJOIZWDF-YBEGLDIGSA-N 0 0 419.846 3.811 50 10 HHCARN CN(C)c1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 ZINC000013774397 558592321 /nfs/dbraw/zinc/59/23/21/558592321.db2.gz HLSNKKDPZAGCBK-CXUHLZMHSA-N 0 0 417.321 3.739 50 10 HHCARN COc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)ccc1O ZINC000013940894 558604526 /nfs/dbraw/zinc/60/45/26/558604526.db2.gz MFPGGJVERWTATH-PBGDOYKQSA-N 0 0 424.507 3.911 50 10 HHCARN CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000027662885 558678345 /nfs/dbraw/zinc/67/83/45/558678345.db2.gz LFUJDIBEYVPDBD-NJYVYQBISA-N 0 0 418.603 3.507 50 10 HHCARN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000015008534 558699502 /nfs/dbraw/zinc/69/95/02/558699502.db2.gz PBJXRSZZFWDKOJ-CAOOACKPSA-N 0 0 401.465 3.838 50 10 HHCARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000015723661 558749959 /nfs/dbraw/zinc/74/99/59/558749959.db2.gz VREHXKPBVVZDDM-UDWIEESQSA-N 0 0 416.462 3.773 50 10 HHCARN Cc1ccccc1NC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(N(C)C)cc1 ZINC000001124668 558775230 /nfs/dbraw/zinc/77/52/30/558775230.db2.gz YIBRHLPSZOLTJH-OAQYLSRUSA-N 0 0 420.538 3.960 50 10 HHCARN CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000035092910 558788516 /nfs/dbraw/zinc/78/85/16/558788516.db2.gz LFUJDIBEYVPDBD-QHAWAJNXSA-N 0 0 418.603 3.507 50 10 HHCARN COc1ccc(N2CCN(Cn3nc4c(Cl)cc(Cl)cn4c3=S)CC2)cc1 ZINC000058444912 558927797 /nfs/dbraw/zinc/92/77/97/558927797.db2.gz PAWJYOXPXFZJDE-UHFFFAOYSA-N 0 0 424.357 3.960 50 10 HHCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000059109577 558931839 /nfs/dbraw/zinc/93/18/39/558931839.db2.gz JLSJLFSLPROVOS-UHFFFAOYSA-N 0 0 401.919 3.655 50 10 HHCARN CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000004635763 558947034 /nfs/dbraw/zinc/94/70/34/558947034.db2.gz LSCMTIWCIDWQTG-ACUDIFQKSA-N 0 0 404.499 3.595 50 10 HHCARN CN(Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)Cc1ccccc1O ZINC000064103273 558962273 /nfs/dbraw/zinc/96/22/73/558962273.db2.gz UOYBJGSQIJBJFE-UHFFFAOYSA-N 0 0 418.950 3.733 50 10 HHCARN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000023398178 559173756 /nfs/dbraw/zinc/17/37/56/559173756.db2.gz BZHZDAFCXYKZJI-UHFFFAOYSA-N 0 0 408.545 3.907 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)nn3C)CC2)cc1 ZINC000072402775 559189858 /nfs/dbraw/zinc/18/98/58/559189858.db2.gz ZNBLOFAKEODZRJ-UHFFFAOYSA-N 0 0 410.905 3.712 50 10 HHCARN O=S(=O)(c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000005017700 559228699 /nfs/dbraw/zinc/22/86/99/559228699.db2.gz JAMOBUYVLGRRHV-WFXMLNOXSA-N 0 0 414.502 3.673 50 10 HHCARN N=C1/C(=C\c2coc3ccccc3c2=O)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000005035168 559232879 /nfs/dbraw/zinc/23/28/79/559232879.db2.gz FFAAQHKSQONOCJ-BXODQFHZSA-N 0 0 406.467 3.992 50 10 HHCARN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100799177 559268326 /nfs/dbraw/zinc/26/83/26/559268326.db2.gz DGHHDANZEPTKRU-ZRBLBEILSA-N 0 0 413.477 3.804 50 10 HHCARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccccc1F ZINC000136607518 559277660 /nfs/dbraw/zinc/27/76/60/559277660.db2.gz OHQXLPGMIWWSJL-PWRODBHTSA-N 0 0 404.397 3.582 50 10 HHCARN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000005523234 560605388 /nfs/dbraw/zinc/60/53/88/560605388.db2.gz CHLFPPVUUGYZOO-YBEGLDIGSA-N 0 0 402.372 3.973 50 10 HHCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(N)c([N+](=O)[O-])c1 ZINC000101077950 560771288 /nfs/dbraw/zinc/77/12/88/560771288.db2.gz JXEXFOISPQKGBW-NTEUORMPSA-N 0 0 416.235 3.658 50 10 HHCARN O=C(COC(=O)c1c(F)cccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000012311450 568466149 /nfs/dbraw/zinc/46/61/49/568466149.db2.gz MMAQUPLPKGDYGG-UHFFFAOYSA-N 0 0 421.355 3.536 50 10 HHCARN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1 ZINC000020236254 568595752 /nfs/dbraw/zinc/59/57/52/568595752.db2.gz IJJLNQJIMMWPBN-OMSSWJLUSA-N 0 0 419.437 3.603 50 10 HHCARN N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000080348225 568603698 /nfs/dbraw/zinc/60/36/98/568603698.db2.gz GLOYMBPUKMSCSI-IOIPALIPSA-N 0 0 424.869 3.931 50 10 HHCARN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000020604009 568636146 /nfs/dbraw/zinc/63/61/46/568636146.db2.gz ZQPKIJPWQYYELB-FQEVSTJZSA-N 0 0 421.463 3.575 50 10 HHCARN CCN1CC[NH+](Cc2c([O-])ccc3c(C)c(-c4ccc(OC)cc4)c(=O)oc32)CC1 ZINC000020605115 568636267 /nfs/dbraw/zinc/63/62/67/568636267.db2.gz SDDZKBFECNYQTH-UHFFFAOYSA-N 0 0 408.498 3.620 50 10 HHCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)cc1 ZINC000000881676 568737349 /nfs/dbraw/zinc/73/73/49/568737349.db2.gz OTFUFCHTHAYFTD-UHFFFAOYSA-N 0 0 413.499 3.844 50 10 HHCARN COc1ccc(N2CCN(c3nc(C(=O)NCc4ccccc4C)cs3)CC2)cc1 ZINC000096386302 568742903 /nfs/dbraw/zinc/74/29/03/568742903.db2.gz HAFRUSFIJJIHBC-UHFFFAOYSA-N 0 0 422.554 3.717 50 10 HHCARN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)C(C(=O)OC)=C2C)cc1 ZINC000000897966 568748791 /nfs/dbraw/zinc/74/87/91/568748791.db2.gz KUGBFSXLFXIDHZ-RGEXLXHISA-N 0 0 423.465 3.980 50 10 HHCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000001164015 568775729 /nfs/dbraw/zinc/77/57/29/568775729.db2.gz LGKPUVVADPXASJ-MOSHPQCFSA-N 0 0 405.450 3.654 50 10 HHCARN O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000056198996 568793222 /nfs/dbraw/zinc/79/32/22/568793222.db2.gz FRPXOPXGTLZOMS-BJMVGYQFSA-N 0 0 401.304 3.615 50 10 HHCARN COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(C)c3)c3ccco3)CC2)cc1 ZINC000056946266 568821814 /nfs/dbraw/zinc/82/18/14/568821814.db2.gz NDPAAYQENQGMBT-QHCPKHFHSA-N 0 0 419.525 3.890 50 10 HHCARN COc1ccc(Br)cc1/C=C1\SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O ZINC000001183764 568822106 /nfs/dbraw/zinc/82/21/06/568822106.db2.gz LZWXPMSBQBHKEF-RQFZQORDSA-N 0 0 411.321 3.537 50 10 HHCARN COc1ccc(N2CCN(CCNC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000058021520 568878017 /nfs/dbraw/zinc/87/80/17/568878017.db2.gz GDRJOSOTZZBBFJ-UHFFFAOYSA-N 0 0 423.344 3.946 50 10 HHCARN CN1C(=O)C(=Cc2ccccc2Oc2cccc(C(F)(F)F)c2)C(=O)N(C)C1=O ZINC000004050237 568880516 /nfs/dbraw/zinc/88/05/16/568880516.db2.gz JDJOVFPUOYSVLJ-UHFFFAOYSA-N 0 0 404.344 3.932 50 10 HHCARN CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000004043390 568936118 /nfs/dbraw/zinc/93/61/18/568936118.db2.gz MHCSVBLIICKDAJ-UQFOYQTNSA-N 0 0 401.576 3.913 50 10 HHCARN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)c1 ZINC000004174729 568948434 /nfs/dbraw/zinc/94/84/34/568948434.db2.gz VCVJOKOIBXSMMG-PTNGSMBKSA-N 0 0 417.512 3.612 50 10 HHCARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000006129750 569014072 /nfs/dbraw/zinc/01/40/72/569014072.db2.gz WBIHVJHJAWAYAS-UHFFFAOYSA-N 0 0 410.499 3.804 50 10 HHCARN COCCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001783263 569052848 /nfs/dbraw/zinc/05/28/48/569052848.db2.gz XBZRKSCQYOSCKH-KAECEXQPSA-N 0 0 401.509 3.619 50 10 HHCARN CC(=O)c1cc2c(cc1NC(=O)CSc1ncc(-c3ccccc3)n1C)OCO2 ZINC000006589817 569068360 /nfs/dbraw/zinc/06/83/60/569068360.db2.gz CLLRPLJOPOCRIR-UHFFFAOYSA-N 0 0 409.467 3.749 50 10 HHCARN COc1ccc(CC(=O)NCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000064756245 569089724 /nfs/dbraw/zinc/08/97/24/569089724.db2.gz OCQLBKQFAFXALG-UHFFFAOYSA-N 0 0 415.537 3.881 50 10 biogenic HHCARN CC(C)OCCCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O ZINC000036217804 569113295 /nfs/dbraw/zinc/11/32/95/569113295.db2.gz JUQDPHFHOOVAFJ-NRFANRHFSA-N 0 0 416.949 3.904 50 10 HHCARN CCOc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000065297912 569219102 /nfs/dbraw/zinc/21/91/02/569219102.db2.gz IFKOILCJZXBXDS-JOCHJYFZSA-N 0 0 407.514 3.653 50 10 biogenic HHCARN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298332 569219298 /nfs/dbraw/zinc/21/92/98/569219298.db2.gz KVDNIBIDJAPOAN-JOCHJYFZSA-N 0 0 421.541 3.962 50 10 biogenic HHCARN Cc1cc(/C=C/C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000065607145 569237304 /nfs/dbraw/zinc/23/73/04/569237304.db2.gz TVJJVZOKVAJTNZ-ZJVMWOEPSA-N 0 0 409.555 3.631 50 10 HHCARN C[C@@H]1Cc2cc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2O1 ZINC000016810429 569263406 /nfs/dbraw/zinc/26/34/06/569263406.db2.gz PGECTNTVYQCOLK-JVDNRXPZSA-N 0 0 419.550 3.798 50 10 HHCARN CCn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000007577860 569268341 /nfs/dbraw/zinc/26/83/41/569268341.db2.gz VFQMULUNKLCRIL-UHFFFAOYSA-N 0 0 406.463 3.956 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 ZINC000003071313 569322870 /nfs/dbraw/zinc/32/28/70/569322870.db2.gz BCOMEHOHSQBSNB-NTEUORMPSA-N 0 0 419.871 3.794 50 10 HHCARN CCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S ZINC000002256431 569326396 /nfs/dbraw/zinc/32/63/96/569326396.db2.gz JSFUQYWJUVEMAV-GDNBJRDFSA-N 0 0 416.572 3.682 50 10 HHCARN Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000002407837 569396371 /nfs/dbraw/zinc/39/63/71/569396371.db2.gz OHOZADWVTFRNDC-MDWZMJQESA-N 0 0 412.323 3.878 50 10 HHCARN CCN(Cc1ccccc1)C(=O)/C(=C\c1ccc(N(C)C)cc1)n1ccccc1=O ZINC000008985961 571205657 /nfs/dbraw/zinc/20/56/57/571205657.db2.gz GLATYVOJELDSBM-PTGBLXJZSA-N 0 0 401.510 3.961 50 10 HHCARN COc1cccc(-n2c(C)cc(C(=O)NCc3nnc(-c4ccccc4)[nH]3)c2C)c1 ZINC000069454813 571228175 /nfs/dbraw/zinc/22/81/75/571228175.db2.gz GYTLIUIXEZWZFL-UHFFFAOYSA-N 0 0 401.470 3.818 50 10 HHCARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000009402848 571255037 /nfs/dbraw/zinc/25/50/37/571255037.db2.gz RKUARDDBGIXTEN-UHFFFAOYSA-N 0 0 423.425 3.806 50 10 HHCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1c(F)cccc1F ZINC000009703744 571280702 /nfs/dbraw/zinc/28/07/02/571280702.db2.gz WTPXHJSZYCOPBO-UHFFFAOYSA-N 0 0 421.355 3.536 50 10 HHCARN CC1(C)OC(=O)C(=Cc2ccc(-c3ccccc3I)o2)C(=O)O1 ZINC000001126442 960459333 /nfs/dbraw/zinc/45/93/33/960459333.db2.gz STZIBDJGBYADJU-UHFFFAOYSA-N 0 0 424.190 3.771 50 10 HHCARN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCCN1CCOCC1 ZINC000014197679 962442484 /nfs/dbraw/zinc/44/24/84/962442484.db2.gz WYQITRFLESCBQL-KAMYIIQDSA-N 0 0 417.383 3.917 50 10 HHCARN O=C(/C(=C\c1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1)N1CCOCC1 ZINC000050548441 964351132 /nfs/dbraw/zinc/35/11/32/964351132.db2.gz JDHZAFKIMNTXPY-UZYVYHOESA-N 0 0 416.525 3.953 50 10 HHCARN CN(C)c1ccc(C=CC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000026134095 964462179 /nfs/dbraw/zinc/46/21/79/964462179.db2.gz XYYQQYNPJYHBTJ-BJMVGYQFSA-N 0 0 420.509 3.659 50 10 HHCARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 ZINC000096879392 969053410 /nfs/dbraw/zinc/05/34/10/969053410.db2.gz REXIMCUCKCNBOV-LKAWRWRFSA-N 0 0 403.526 3.519 50 10 HHCARN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1CCCN1CCOCC1 ZINC000096930811 969056921 /nfs/dbraw/zinc/05/69/21/969056921.db2.gz GGADGVRTWGJSIF-NTCAYCPXSA-N 0 0 416.490 3.629 50 10 HHCARN CCOc1ccccc1CN(C[C@@H](C)O)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000098053055 969186185 /nfs/dbraw/zinc/18/61/85/969186185.db2.gz GVWXWQHJFGLVQL-UILAEWCASA-N 0 0 414.458 3.567 50 10 HHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)cc3)C(=N)N2O1 ZINC000020236355 520854786 /nfs/dbraw/zinc/85/47/86/520854786.db2.gz SBNBJUSTXVHNQB-OIBHPTRJSA-N 0 0 403.438 3.985 50 10 HHCARN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=N)S1 ZINC000020210318 520901573 /nfs/dbraw/zinc/90/15/73/520901573.db2.gz PCECQQCJANNQQZ-DIQJHTJGSA-N 0 0 414.288 3.879 50 10 HHCARN COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C ZINC000044085933 522052358 /nfs/dbraw/zinc/05/23/58/522052358.db2.gz PXBTZFYYGDESDG-UHFFFAOYSA-N 0 0 412.353 3.576 50 10 HHCARN COc1ccc(N2CCN([C@@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000040416101 524431168 /nfs/dbraw/zinc/43/11/68/524431168.db2.gz XZCPXKNCLOGBHL-INIZCTEOSA-N 0 0 421.463 3.541 50 10 HHCARN Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 ZINC000016945595 526361683 /nfs/dbraw/zinc/36/16/83/526361683.db2.gz JHFBEAYVVZBCBZ-WQLSENKSSA-N 0 0 424.960 3.730 50 10 HHCARN CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N(C)C1=S ZINC000000655870 557040895 /nfs/dbraw/zinc/04/08/95/557040895.db2.gz ZGTWRCHMZOAXIX-UHFFFAOYSA-N 0 0 400.887 3.518 50 10 HHCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)CC1 ZINC000000677957 557053796 /nfs/dbraw/zinc/05/37/96/557053796.db2.gz NVJUCETYJREHJB-PGMHBOJBSA-N 0 0 406.555 3.854 50 10 HHCARN COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000001125887 557195271 /nfs/dbraw/zinc/19/52/71/557195271.db2.gz KFNZZCSUYBWWHV-NXVVXOECSA-N 0 0 400.456 3.558 50 10 HHCARN Cc1ccc(Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000001186388 557234115 /nfs/dbraw/zinc/23/41/15/557234115.db2.gz FICJYBDQPVCLKU-UHFFFAOYSA-N 0 0 403.507 3.597 50 10 HHCARN Cc1c(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000001907853 557295745 /nfs/dbraw/zinc/29/57/45/557295745.db2.gz ZCYIPBYVUVEZEW-ATVHPVEESA-N 0 0 423.519 3.596 50 10 HHCARN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000002144258 557318716 /nfs/dbraw/zinc/31/87/16/557318716.db2.gz ZVOMUWSYGDZECZ-VXLYETTFSA-N 0 0 414.483 3.896 50 10 HHCARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000004599105 557571022 /nfs/dbraw/zinc/57/10/22/557571022.db2.gz IKMWTJGTIQSSES-LICLKQGHSA-N 0 0 402.447 3.833 50 10 HHCARN O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000004621970 557573556 /nfs/dbraw/zinc/57/35/56/557573556.db2.gz ZIXWWXCXZGNQAU-UHFFFAOYSA-N 0 0 404.422 3.728 50 10 HHCARN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000006843257 557726410 /nfs/dbraw/zinc/72/64/10/557726410.db2.gz MNJYFNDAYWEDJY-XNTDXEJSSA-N 0 0 404.900 3.895 50 10 HHCARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000002702118 557742691 /nfs/dbraw/zinc/74/26/91/557742691.db2.gz IQLDXHIYBUYUCM-BOPFTXTBSA-N 0 0 412.492 3.837 50 10 HHCARN CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)s1 ZINC000008432969 557788675 /nfs/dbraw/zinc/78/86/75/557788675.db2.gz YFOONXZDOABPCZ-YRNVUSSQSA-N 0 0 424.960 3.594 50 10 HHCARN COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008744479 557804386 /nfs/dbraw/zinc/80/43/86/557804386.db2.gz OYJCVTKGUZCXEA-OAQYLSRUSA-N 0 0 406.486 3.559 50 10 HHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000008820305 557810078 /nfs/dbraw/zinc/81/00/78/557810078.db2.gz OOZPPEYNRNCZQI-RVDMUPIBSA-N 0 0 417.468 3.808 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccccc1 ZINC000008983498 557817337 /nfs/dbraw/zinc/81/73/37/557817337.db2.gz KGFCKTYYPIEVED-UVTDQMKNSA-N 0 0 419.325 3.995 50 10 HHCARN COc1ccc(OC)c(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)c1 ZINC000009190107 557826855 /nfs/dbraw/zinc/82/68/55/557826855.db2.gz MHWOXSLUDUNUFW-AQTBWJFISA-N 0 0 401.509 3.984 50 10 HHCARN CN1CCN(C2=NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)CC1 ZINC000019913478 558306914 /nfs/dbraw/zinc/30/69/14/558306914.db2.gz ZWXRUPWUOLVOLL-JCMHNJIXSA-N 0 0 416.550 3.907 50 10 HHCARN Cc1ccc(/C=C2/SC(=S)N(CN3CCN(c4cccc(C)c4)CC3)C2=O)o1 ZINC000020101717 558332005 /nfs/dbraw/zinc/33/20/05/558332005.db2.gz TUGXCLNXYWIKJF-CPNJWEJPSA-N 0 0 413.568 3.877 50 10 HHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000013549715 558538735 /nfs/dbraw/zinc/53/87/35/558538735.db2.gz ZUQJLPGNCZGQPD-SXGWCWSVSA-N 0 0 402.453 3.671 50 10 HHCARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O ZINC000013603261 558547862 /nfs/dbraw/zinc/54/78/62/558547862.db2.gz HBMJIILFMSCLRY-NVNXTCNLSA-N 0 0 420.899 3.600 50 10 HHCARN CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 ZINC000013635148 558553603 /nfs/dbraw/zinc/55/36/03/558553603.db2.gz PKRJZKFRRJSIEW-VBKFSLOCSA-N 0 0 424.298 3.993 50 10 HHCARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O ZINC000013896461 558600501 /nfs/dbraw/zinc/60/05/01/558600501.db2.gz NPDRZWBEZOVSKR-HUHIGAQKSA-N 0 0 406.467 3.767 50 10 HHCARN CCN(CC)c1ccc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027745093 558681076 /nfs/dbraw/zinc/68/10/76/558681076.db2.gz OHRJEELQIJHJHM-JOCHJYFZSA-N 0 0 414.571 3.671 50 10 HHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000030909197 558744411 /nfs/dbraw/zinc/74/44/11/558744411.db2.gz BOGNWDITCNOXPR-UHFFFAOYSA-N 0 0 412.584 3.585 50 10 HHCARN CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 ZINC000015799912 558753799 /nfs/dbraw/zinc/75/37/99/558753799.db2.gz QTSFUNODWUNXNJ-ATVHPVEESA-N 0 0 413.524 3.710 50 10 HHCARN COc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2OC)cc1 ZINC000015800627 558754275 /nfs/dbraw/zinc/75/42/75/558754275.db2.gz BSIGWGDBFDLXNN-PDGQHHTCSA-N 0 0 417.508 3.650 50 10 HHCARN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1O ZINC000015931901 558762817 /nfs/dbraw/zinc/76/28/17/558762817.db2.gz DDJPKOBYTFHJEA-UVTDQMKNSA-N 0 0 419.222 3.715 50 10 HHCARN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000071824360 558826635 /nfs/dbraw/zinc/82/66/35/558826635.db2.gz JVGCIUUGPIEYQX-MWTRTKDXSA-N 0 0 409.507 3.576 50 10 HHCARN CCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000017836147 558828281 /nfs/dbraw/zinc/82/82/81/558828281.db2.gz LAFBKUGLPHGJCQ-FKSQXNRSSA-N 0 0 404.532 3.954 50 10 HHCARN Cc1ccc([N+](=O)[O-])c(C(=S)c2c([N+](=O)[O-])ccc(C)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000104045461 559157451 /nfs/dbraw/zinc/15/74/51/559157451.db2.gz KKRQNCZRVFESOJ-UHFFFAOYSA-N 0 0 406.332 3.703 50 10 HHCARN CCCCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 ZINC000011691715 559185344 /nfs/dbraw/zinc/18/53/44/559185344.db2.gz CTLQZEGMFHNWLM-JLHYYAGUSA-N 0 0 418.569 3.721 50 10 HHCARN COc1ccc(N2N=C(C)C(=C(C)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000100423033 559199511 /nfs/dbraw/zinc/19/95/11/559199511.db2.gz WQHHQVTYVLIXTL-MOSHPQCFSA-N 0 0 411.458 3.830 50 10 HHCARN CN(C)c1ccc(CN(C(=O)c2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000006351352 560558147 /nfs/dbraw/zinc/55/81/47/560558147.db2.gz RMGDEDGTEIMSCK-NRFANRHFSA-N 0 0 422.550 3.735 50 10 HHCARN CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1cccc(O)c1 ZINC000100985194 560765494 /nfs/dbraw/zinc/76/54/94/560765494.db2.gz LZYUWYMLFOWULW-MHWRWJLKSA-N 0 0 404.207 3.803 50 10 HHCARN O=C(C1=CN(c2ccc3c(c2)CCC3)c2cc(F)ccc2S1(=O)=O)N1CCCC1 ZINC000048988599 568444066 /nfs/dbraw/zinc/44/40/66/568444066.db2.gz MZQHOSKGOHUOBU-UHFFFAOYSA-N 0 0 412.486 3.704 50 10 HHCARN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000095465453 568623339 /nfs/dbraw/zinc/62/33/39/568623339.db2.gz PSTUIWXATBIWFT-UHFFFAOYSA-N 0 0 414.845 3.824 50 10 HHCARN O=C(NC1=N[C@H](c2ccccc2F)CC(=O)N1)c1ccc(Oc2ccccc2)cc1 ZINC000020924631 568651308 /nfs/dbraw/zinc/65/13/08/568651308.db2.gz LPVORLJWGLVWMA-FQEVSTJZSA-N 0 0 403.413 3.965 50 10 HHCARN COc1ccc([C@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n2cccc2)cc1 ZINC000020997599 568657316 /nfs/dbraw/zinc/65/73/16/568657316.db2.gz IFYSXRISFHMDCU-DEOSSOPVSA-N 0 0 419.525 3.834 50 10 HHCARN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000001106173 568770166 /nfs/dbraw/zinc/77/01/66/568770166.db2.gz LOKQDLQZYCMPOK-YVLHZVERSA-N 0 0 413.271 3.717 50 10 HHCARN COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3oc(=O)c2c1 ZINC000001111587 568770904 /nfs/dbraw/zinc/77/09/04/568770904.db2.gz OPBXSGXOIUKMES-UHFFFAOYSA-N 0 0 415.445 3.919 50 10 HHCARN COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)co3)CC2)cc1 ZINC000056949861 568821908 /nfs/dbraw/zinc/82/19/08/568821908.db2.gz ICFFVKNBKNNGMW-UHFFFAOYSA-N 0 0 420.509 3.858 50 10 HHCARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O ZINC000003858714 568868932 /nfs/dbraw/zinc/86/89/32/568868932.db2.gz NPDRZWBEZOVSKR-BXODQFHZSA-N 0 0 406.467 3.767 50 10 HHCARN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000012597564 568869116 /nfs/dbraw/zinc/86/91/16/568869116.db2.gz CSYSCJFLIYRGQD-UHFFFAOYSA-N 0 0 403.526 3.856 50 10 HHCARN COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)c1 ZINC000003273981 568870823 /nfs/dbraw/zinc/87/08/23/568870823.db2.gz ORXPSFXDGAHNER-STZFKDTASA-N 0 0 415.449 3.978 50 10 HHCARN Cc1ccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000001393726 568925043 /nfs/dbraw/zinc/92/50/43/568925043.db2.gz LDTLHDPVXHHMGS-UHFFFAOYSA-N 0 0 409.530 3.982 50 10 HHCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1Br ZINC000001427296 568939339 /nfs/dbraw/zinc/93/93/39/568939339.db2.gz DOBFFZGABNWLLG-GDNBJRDFSA-N 0 0 402.244 3.915 50 10 HHCARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 ZINC000007990471 568966838 /nfs/dbraw/zinc/96/68/38/568966838.db2.gz DQMKMFXRIBJEMU-CYBMUJFWSA-N 0 0 403.390 3.547 50 10 HHCARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccc(N(C)C)cc1)n2C ZINC000015681846 568968265 /nfs/dbraw/zinc/96/82/65/568968265.db2.gz DMDFDANEOODMIH-UHFFFAOYSA-N 0 0 404.514 3.610 50 10 HHCARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O ZINC000135652111 569053604 /nfs/dbraw/zinc/05/36/04/569053604.db2.gz VXCHZEGCOJVBAY-FDFHNCONSA-N 0 0 400.434 3.752 50 10 HHCARN O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccc(Br)cc1 ZINC000001811439 569056140 /nfs/dbraw/zinc/05/61/40/569056140.db2.gz FANSLGGBAXLDJW-WQLSENKSSA-N 0 0 409.286 3.588 50 10 HHCARN Cc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1O ZINC000006727365 569101832 /nfs/dbraw/zinc/10/18/32/569101832.db2.gz AAZKRMIWHXUKLP-HNNXBMFYSA-N 0 0 408.321 3.941 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000006747967 569108689 /nfs/dbraw/zinc/10/86/89/569108689.db2.gz IYQSZDKDHRJZMV-HXUWFJFHSA-N 0 0 406.482 3.680 50 10 HHCARN CCOCCc1nnc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)s1 ZINC000006781060 569120413 /nfs/dbraw/zinc/12/04/13/569120413.db2.gz FHDPUGHVOUTCCG-UHFFFAOYSA-N 0 0 412.515 3.654 50 10 HHCARN Cc1ccc2c(c1)N(c1ccc(C)c(F)c1)C=C(C(=O)N1CCCC1)S2(=O)=O ZINC000065096285 569176752 /nfs/dbraw/zinc/17/67/52/569176752.db2.gz DISVRTPSLYIXPW-UHFFFAOYSA-N 0 0 400.475 3.832 50 10 HHCARN O=C(NCc1ccc(F)c(Cl)c1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239735 569203460 /nfs/dbraw/zinc/20/34/60/569203460.db2.gz SVQTUBCCWLWZJF-UHFFFAOYSA-N 0 0 424.856 3.534 50 10 HHCARN COc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298163 569219204 /nfs/dbraw/zinc/21/92/04/569219204.db2.gz SBGUOAJBIJEMKV-OAQYLSRUSA-N 0 0 407.514 3.572 50 10 biogenic HHCARN O=c1c(Cl)c(NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1 ZINC000065575274 569235967 /nfs/dbraw/zinc/23/59/67/569235967.db2.gz VYGDFMNYCAFDOI-UHFFFAOYSA-N 0 0 424.932 3.707 50 10 HHCARN COc1ccc(-c2cnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2C)cc1 ZINC000007423568 569237875 /nfs/dbraw/zinc/23/78/75/569237875.db2.gz LNGWVVXYHJRDOL-UHFFFAOYSA-N 0 0 410.499 3.785 50 10 HHCARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2C)cc1 ZINC000007423712 569238051 /nfs/dbraw/zinc/23/80/51/569238051.db2.gz QPGAVROWRPJWQE-UHFFFAOYSA-N 0 0 413.499 3.844 50 10 HHCARN Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc(Br)cc3)sc2n1 ZINC000013575262 569256105 /nfs/dbraw/zinc/25/61/05/569256105.db2.gz PAZNFDWPAQLWPB-UHFFFAOYSA-N 0 0 405.273 3.989 50 10 HHCARN CCOC(=O)CNc1nc(N(C)C)nc(N(C)C)c1N=Nc1ccc(Cl)cc1 ZINC000252595877 569296463 /nfs/dbraw/zinc/29/64/63/569296463.db2.gz CEUFNRJMVSSSCB-UHFFFAOYSA-N 0 0 405.890 3.652 50 10 HHCARN COc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1O ZINC000027546772 569372057 /nfs/dbraw/zinc/37/20/57/569372057.db2.gz XJBRAZHKECSBIV-JXPCMBGASA-N 0 0 412.858 3.722 50 10 HHCARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002312045 569373877 /nfs/dbraw/zinc/37/38/77/569373877.db2.gz CUEZIUZLTXHWTN-KDNCBPJOSA-N 0 0 423.448 3.763 50 10 HHCARN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CCN1CCOCC1 ZINC000012901123 569404770 /nfs/dbraw/zinc/40/47/70/569404770.db2.gz DWVFUIFAAMOOQO-RAXLEYEMSA-N 0 0 403.356 3.527 50 10 HHCARN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000008779760 571118883 /nfs/dbraw/zinc/11/88/83/571118883.db2.gz VREHXKPBVVZDDM-NDENLUEZSA-N 0 0 416.462 3.773 50 10 HHCARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000039995689 571137444 /nfs/dbraw/zinc/13/74/44/571137444.db2.gz JPNKAQXGVUDZQY-UHFFFAOYSA-N 0 0 418.541 3.657 50 10 HHCARN CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214211 571296882 /nfs/dbraw/zinc/29/68/82/571296882.db2.gz JVQNXARWJAMQQW-HXUWFJFHSA-N 0 0 411.889 3.928 50 10 HHCARN O=C(/C=C/c1ccccc1)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005020805 960640806 /nfs/dbraw/zinc/64/08/06/960640806.db2.gz MNJJBVZBKOVVNK-JLHYYAGUSA-N 0 0 411.413 3.657 50 10 HHCARN Cc1ccc(-n2c(O)cc(N3C(=O)C(=Cc4ccccc4)SC3=S)c2O)cc1 ZINC000005785739 960779601 /nfs/dbraw/zinc/77/96/01/960779601.db2.gz XGHFXIHGGRNLHX-PCJMVEANSA-N 0 0 408.504 3.528 50 10 HHCARN Cc1sc2[nH]c(C(=Cc3ccc(N(C)C)cc3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000096765492 969051172 /nfs/dbraw/zinc/05/11/72/969051172.db2.gz ORVVXARWHIVTLV-AQTBWJFISA-N 0 0 422.554 3.830 50 10 HHCARN CCOc1cc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000097998748 969183807 /nfs/dbraw/zinc/18/38/07/969183807.db2.gz CJABPZCNOUKNNQ-WQLSENKSSA-N 0 0 410.514 3.602 50 10 HHCARN O=C(COC(=O)[C@]12CCC(=O)N1CCS2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254565699 970574077 /nfs/dbraw/zinc/57/40/77/970574077.db2.gz AMUPTLJEYCMWKG-OAQYLSRUSA-N 0 0 424.482 3.649 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)cc1 ZINC000005865689 132308289 /nfs/dbraw/zinc/30/82/89/132308289.db2.gz GTYQMDWASGNRQX-UHFFFAOYSA-N 0 0 424.501 3.556 50 10 HHCARN CCCCOCCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000006756901 132314983 /nfs/dbraw/zinc/31/49/83/132314983.db2.gz FMARXVOBLXZNLT-UHFFFAOYSA-N 0 0 423.538 3.642 50 10 HHCARN COc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1OC ZINC000013786365 132459427 /nfs/dbraw/zinc/45/94/27/132459427.db2.gz OTFPPVRVIDAFJO-RCCKNPSSSA-N 0 0 423.538 3.805 50 10 HHCARN CCOc1ccc(-c2nc3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 ZINC000033153818 520822252 /nfs/dbraw/zinc/82/22/52/520822252.db2.gz IIEQZJKUWVOMHS-HKWRFOASSA-N 0 0 420.538 3.611 50 10 HHCARN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 ZINC000225707771 524106614 /nfs/dbraw/zinc/10/66/14/524106614.db2.gz LXRFCARZLWLFKT-QFBILLFUSA-N 0 0 417.981 3.841 50 10 HHCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)cc1 ZINC000000941935 524964692 /nfs/dbraw/zinc/96/46/92/524964692.db2.gz BCVBCFCKTBWORD-PGMHBOJBSA-N 0 0 406.555 3.854 50 10 HHCARN O=c1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c2cc(O)c(O)cc2o1 ZINC000032945537 527481491 /nfs/dbraw/zinc/48/14/91/527481491.db2.gz MFEWKRBYFHNCSY-UHFFFAOYSA-N 0 0 407.451 3.955 50 10 HHCARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C(C)C ZINC000006659167 535391361 /nfs/dbraw/zinc/39/13/61/535391361.db2.gz UHAPWOFARKDSKF-UHFFFAOYSA-N 0 0 418.559 3.728 50 10 HHCARN COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000003659152 536827306 /nfs/dbraw/zinc/82/73/06/536827306.db2.gz IAHJMAKAEYCANP-DEDYPNTBSA-N 0 0 409.461 3.918 50 10 HHCARN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000000660051 557043038 /nfs/dbraw/zinc/04/30/38/557043038.db2.gz FBCBQMQCYMFEDU-NSHDSACASA-N 0 0 410.923 3.515 50 10 HHCARN CSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000000683355 557057435 /nfs/dbraw/zinc/05/74/35/557057435.db2.gz SUXFNINFUNMFPI-HXUWFJFHSA-N 0 0 407.499 3.771 50 10 HHCARN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc(OC)cc2)cc1 ZINC000000706488 557063978 /nfs/dbraw/zinc/06/39/78/557063978.db2.gz NYFQDEIZRGROGV-QFIPXVFZSA-N 0 0 423.513 3.913 50 10 HHCARN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1 ZINC000000823629 557092905 /nfs/dbraw/zinc/09/29/05/557092905.db2.gz DBIVKUUMGGMKMM-QFIPXVFZSA-N 0 0 407.514 3.947 50 10 HHCARN COC(=O)c1cccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c1 ZINC000000977412 557129365 /nfs/dbraw/zinc/12/93/65/557129365.db2.gz UPGXBRYAEMZQJF-UHFFFAOYSA-N 0 0 404.374 3.915 50 10 HHCARN CC(C)CN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S ZINC000001112023 557184282 /nfs/dbraw/zinc/18/42/82/557184282.db2.gz KUGNMRVYJAGBDH-SDQBBNPISA-N 0 0 419.309 3.854 50 10 HHCARN COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1 ZINC000001203090 557240032 /nfs/dbraw/zinc/24/00/32/557240032.db2.gz XZEKMADIXHRQMG-SFQUDFHCSA-N 0 0 414.508 3.631 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000001293709 557253618 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/nfs/dbraw/zinc/55/99/15/558559915.db2.gz AQOAOAFZVYEMEF-YBEGLDIGSA-N 0 0 403.481 3.824 50 10 HHCARN CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000013714410 558578049 /nfs/dbraw/zinc/57/80/49/558578049.db2.gz YJXGAWWDOGWUBB-DHDCSXOGSA-N 0 0 416.572 3.620 50 10 HHCARN COc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1OC ZINC000013759086 558590972 /nfs/dbraw/zinc/59/09/72/558590972.db2.gz UNCAMJPXTRGDBT-RCCKNPSSSA-N 0 0 423.538 3.805 50 10 HHCARN Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013787455 558593676 /nfs/dbraw/zinc/59/36/76/558593676.db2.gz YICHGBXZBQMSBW-YVLHZVERSA-N 0 0 411.483 3.864 50 10 HHCARN Cc1ccc(OCCOCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000013892852 558599862 /nfs/dbraw/zinc/59/98/62/558599862.db2.gz PZVXYWFFYNEMLN-RGEXLXHISA-N 0 0 415.536 3.958 50 10 HHCARN Cc1ccc(OCCOCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000013942764 558604997 /nfs/dbraw/zinc/60/49/97/558604997.db2.gz PGPZPHUMYQJTEC-RGEXLXHISA-N 0 0 415.536 3.958 50 10 HHCARN COc1ccc(NC2=NC(=O)C(=Cc3ccc(OC)c(OC)c3)S2)c(OC)c1 ZINC000028296854 558699057 /nfs/dbraw/zinc/69/90/57/558699057.db2.gz IFZSDOLHBSNOBY-VCHYOVAHSA-N 0 0 400.456 3.803 50 10 HHCARN Cc1ccc(Cn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 ZINC000032980966 558757881 /nfs/dbraw/zinc/75/78/81/558757881.db2.gz QHLDLSVOSBRPSV-ZKEXVTLTSA-N 0 0 418.526 3.517 50 10 HHCARN COc1ccc(N2CCN(c3nccc4ccc(C(=O)N5CCCC5)cc43)CC2)cc1 ZINC000035512252 558793117 /nfs/dbraw/zinc/79/31/17/558793117.db2.gz AIUXLQAGJFYSTE-UHFFFAOYSA-N 0 0 416.525 3.806 50 10 HHCARN O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000017156751 558824374 /nfs/dbraw/zinc/82/43/74/558824374.db2.gz UDSLWYJWAIKRJN-UHFFFAOYSA-N 0 0 412.540 3.685 50 10 HHCARN Cc1cc2nc3sc(C(=O)NCc4ccc(N(C)C)cc4)cc(=O)n3c2cc1C ZINC000033009134 558828292 /nfs/dbraw/zinc/82/82/92/558828292.db2.gz SIIQUBQOCDYKMM-UHFFFAOYSA-N 0 0 406.511 3.522 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O)cc1 ZINC000013603242 558846889 /nfs/dbraw/zinc/84/68/89/558846889.db2.gz RFWJPTMITCGCBK-ATVHPVEESA-N 0 0 414.508 3.631 50 10 HHCARN Cc1cc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c(C)n1-c1cccc(C)c1 ZINC000046360818 558868695 /nfs/dbraw/zinc/86/86/95/558868695.db2.gz JNBNJSZWOGGTKX-UHFFFAOYSA-N 0 0 416.481 3.707 50 10 HHCARN CC1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)cc3)C2=N)S1 ZINC000004691314 558905172 /nfs/dbraw/zinc/90/51/72/558905172.db2.gz PFNMRNJQMICIHY-JMCWYTMQSA-N 0 0 404.451 3.853 50 10 HHCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C[C@H](C)O1 ZINC000005234431 560548016 /nfs/dbraw/zinc/54/80/16/560548016.db2.gz UIXNUDFWMNUMMU-ZDDMZOBVSA-N 0 0 413.455 3.934 50 10 HHCARN COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000005234200 560548017 /nfs/dbraw/zinc/54/80/17/560548017.db2.gz MVDHNWMWXDFMQI-FOWTUZBSSA-N 0 0 402.497 3.908 50 10 HHCARN COc1ccccc1/C=C1/SC(=S)N(C(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000408822368 560556353 /nfs/dbraw/zinc/55/63/53/560556353.db2.gz MIXRHZBZAAAFTH-XNTDXEJSSA-N 0 0 400.437 3.645 50 10 HHCARN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1O ZINC000004833035 560609178 /nfs/dbraw/zinc/60/91/78/560609178.db2.gz GGUQIAVQEBFMIC-UHFFFAOYSA-N 0 0 414.417 3.984 50 10 HHCARN COc1ccc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)cc1 ZINC000005623815 560632951 /nfs/dbraw/zinc/63/29/51/560632951.db2.gz CTRSNNGGQPDACF-UHFFFAOYSA-N 0 0 406.269 3.849 50 10 HHCARN COc1ccc2c3c(n(CCCn4cccn4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404317 568492292 /nfs/dbraw/zinc/49/22/92/568492292.db2.gz CANASEQVBWHIKY-UHFFFAOYSA-N 0 0 415.449 3.517 50 10 HHCARN CC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(Cl)ccc1O)N2 ZINC000080324808 568601618 /nfs/dbraw/zinc/60/16/18/568601618.db2.gz QVFPNYACZPQHSA-LJQANCHMSA-N 0 0 413.905 3.614 50 10 HHCARN COc1ccc([C@@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n2cccc2)cc1 ZINC000020997597 568657170 /nfs/dbraw/zinc/65/71/70/568657170.db2.gz IFYSXRISFHMDCU-XMMPIXPASA-N 0 0 419.525 3.834 50 10 HHCARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(O)c(O)c1)SCC(=O)N2 ZINC000021523633 568708853 /nfs/dbraw/zinc/70/88/53/568708853.db2.gz WLROSBWHGPMIMH-SFHVURJKSA-N 0 0 424.507 3.976 50 10 HHCARN CCN(CC)c1ccc(CN(CC2CC2)C(=O)C2CCC2)c(OS(=O)(=O)CC)c1 ZINC000096292640 568721220 /nfs/dbraw/zinc/72/12/20/568721220.db2.gz IRPQEASRCCNPBL-UHFFFAOYSA-N 0 0 422.591 3.800 50 10 HHCARN COc1ccc(N2CCN(c3nc(C(=O)N(C)Cc4ccccc4)cs3)CC2)cc1 ZINC000096386303 568742853 /nfs/dbraw/zinc/74/28/53/568742853.db2.gz GELZQQXZBCDPHO-UHFFFAOYSA-N 0 0 422.554 3.751 50 10 HHCARN COc1ccc(N2CCN(C(=O)CCc3conc3-c3ccccc3F)CC2)cc1 ZINC000096386714 568743400 /nfs/dbraw/zinc/74/34/00/568743400.db2.gz UNYTVHSQGRREBQ-UHFFFAOYSA-N 0 0 409.461 3.771 50 10 HHCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000028228260 568782956 /nfs/dbraw/zinc/78/29/56/568782956.db2.gz UKDMXDTVBNLLGC-NRFANRHFSA-N 0 0 418.534 3.501 50 10 HHCARN COc1ccc(N2CCN(Cn3nc4sc5ccccc5n4c3=S)CC2)cc1 ZINC000056552758 568811892 /nfs/dbraw/zinc/81/18/92/568811892.db2.gz UKDQJLCEAQFKFP-UHFFFAOYSA-N 0 0 411.556 3.868 50 10 HHCARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCC)cc2O)N3)C1 ZINC000005980299 568833609 /nfs/dbraw/zinc/83/36/09/568833609.db2.gz TWZHWASUASTZQI-QGZVFWFLSA-N 0 0 417.487 3.796 50 10 HHCARN COc1ccccc1/C=C1/SC(=O)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=S ZINC000001799973 568836211 /nfs/dbraw/zinc/83/62/11/568836211.db2.gz FEFWANKCPJRRRH-XNTDXEJSSA-N 0 0 415.452 3.786 50 10 HHCARN COC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000003377648 568891557 /nfs/dbraw/zinc/89/15/57/568891557.db2.gz NCZCBUGYHRHERY-UHFFFAOYSA-N 0 0 407.422 3.871 50 10 HHCARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)o1 ZINC000001236432 568898420 /nfs/dbraw/zinc/89/84/20/568898420.db2.gz OBGYRHBLISIYHS-JYRVWZFOSA-N 0 0 423.313 3.897 50 10 HHCARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004091108 568942444 /nfs/dbraw/zinc/94/24/44/568942444.db2.gz DRRXFPVBQHSEKC-QGZVFWFLSA-N 0 0 400.504 3.758 50 10 HHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000008405587 569001359 /nfs/dbraw/zinc/00/13/59/569001359.db2.gz WDKPHAMLUJZRCC-KNQAVFIVSA-N 0 0 408.498 3.562 50 10 HHCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000001504674 569006694 /nfs/dbraw/zinc/00/66/94/569006694.db2.gz SURLTOIYFVTEOB-GDNBJRDFSA-N 0 0 404.900 3.895 50 10 HHCARN Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000035307744 569029974 /nfs/dbraw/zinc/02/99/74/569029974.db2.gz PPOCXPJYYIFXBV-UHFFFAOYSA-N 0 0 417.912 3.624 50 10 HHCARN COc1c(Br)cc(Br)cc1C=C1SC(=S)NC1=O ZINC000016406719 569041290 /nfs/dbraw/zinc/04/12/90/569041290.db2.gz RIAMROZUXKEIEA-BAQGIRSFSA-N 0 0 409.124 3.709 50 10 HHCARN COc1ccc(N2CCN(C(=O)COC(=O)C3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000006365894 569046030 /nfs/dbraw/zinc/04/60/30/569046030.db2.gz HGHLCUBZRISTDP-UHFFFAOYSA-N 0 0 416.562 3.740 50 10 HHCARN CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2O)n1 ZINC000006490157 569059720 /nfs/dbraw/zinc/05/97/20/569059720.db2.gz FUFWVYWCZIHIDD-SFHVURJKSA-N 0 0 419.441 3.817 50 10 HHCARN CCc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000006652552 569081790 /nfs/dbraw/zinc/08/17/90/569081790.db2.gz URCWIWRDOOBSDU-UHFFFAOYSA-N 0 0 413.429 3.820 50 10 HHCARN CCN(CC)c1ccc(CN(CC(C)C)C(=O)C(C)C)c(OS(=O)(=O)CC)c1 ZINC000006709608 569095701 /nfs/dbraw/zinc/09/57/01/569095701.db2.gz XUHZSFSFVGNSNV-UHFFFAOYSA-N 0 0 412.596 3.902 50 10 HHCARN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1O ZINC000006721180 569099045 /nfs/dbraw/zinc/09/90/45/569099045.db2.gz MMCZCRQDZVWCRP-YZUZCNPQSA-N 0 0 418.424 3.973 50 10 HHCARN COc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1 ZINC000065096231 569176691 /nfs/dbraw/zinc/17/66/91/569176691.db2.gz HCYCREQATHKEAF-UHFFFAOYSA-N 0 0 412.511 3.721 50 10 HHCARN O=c1cc2nc(-c3ccco3)nc(SCc3ccc(Br)cc3)n2[nH]1 ZINC000006915837 569180977 /nfs/dbraw/zinc/18/09/77/569180977.db2.gz FAQWCMDOVXZAKA-UHFFFAOYSA-N 0 0 403.261 3.732 50 10 HHCARN CCOc1cccc([C@@H]2CC(c3ccccc3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000065298348 569219297 /nfs/dbraw/zinc/21/92/97/569219297.db2.gz TXXMPNXQFSTZDV-NRFANRHFSA-N 0 0 407.514 3.653 50 10 biogenic HHCARN Cc1scc2nc(C)nc(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c12 ZINC000065301544 569220247 /nfs/dbraw/zinc/22/02/47/569220247.db2.gz WICOSDQPRSTYCO-UHFFFAOYSA-N 0 0 423.586 3.907 50 10 HHCARN COc1ccc(N2CCN(C(=O)c3cc4cc5cc(OC)ccc5nc4o3)CC2)cc1 ZINC000065331034 569225204 /nfs/dbraw/zinc/22/52/04/569225204.db2.gz VKSYFORNVNZURI-UHFFFAOYSA-N 0 0 417.465 3.961 50 10 HHCARN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007245109 569229834 /nfs/dbraw/zinc/22/98/34/569229834.db2.gz PSESJPSSURBOHK-JOCHJYFZSA-N 0 0 423.557 3.709 50 10 HHCARN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1Nc1ccccc1 ZINC000170592205 569241078 /nfs/dbraw/zinc/24/10/78/569241078.db2.gz SDOUIVWIDYFCHA-UHFFFAOYSA-N 0 0 421.522 3.917 50 10 HHCARN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 ZINC000170626932 569250500 /nfs/dbraw/zinc/25/05/00/569250500.db2.gz MDDSYYODOINMDV-QFIPXVFZSA-N 0 0 403.434 3.785 50 10 HHCARN COc1cccc2cc(-c3cc(=O)oc4c3ccc([O-])c4C[NH+]3CCCC3)c(=O)oc21 ZINC000002123631 569285698 /nfs/dbraw/zinc/28/56/98/569285698.db2.gz RMUKOFQAMUGMQE-UHFFFAOYSA-N 0 0 419.433 3.876 50 10 biogenic HHCARN CN1C(=O)/C(=C\c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000027531610 569366920 /nfs/dbraw/zinc/36/69/20/569366920.db2.gz JWNHQAWFTXYPMS-SFQUDFHCSA-N 0 0 416.480 3.884 50 10 HHCARN CCN1C(=O)/C(=C/c2ccc(OC)c(CSc3nccn3C)c2)SC1=S ZINC000008782490 571119554 /nfs/dbraw/zinc/11/95/54/571119554.db2.gz IBLGEJAMZYEIIB-GDNBJRDFSA-N 0 0 405.570 3.942 50 10 HHCARN CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 ZINC000008820272 571121640 /nfs/dbraw/zinc/12/16/40/571121640.db2.gz CRRDVGPKCDDRQX-ZRDIBKRKSA-N 0 0 422.557 3.704 50 10 HHCARN O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1 ZINC000008821706 571121680 /nfs/dbraw/zinc/12/16/80/571121680.db2.gz MFHVAYWRXLLTNE-NTEUORMPSA-N 0 0 414.899 3.763 50 10 HHCARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000009119783 571224994 /nfs/dbraw/zinc/22/49/94/571224994.db2.gz YUMIKZLSYBDODQ-UHFFFAOYSA-N 0 0 409.398 3.696 50 10 HHCARN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1C ZINC000009293611 571245914 /nfs/dbraw/zinc/24/59/14/571245914.db2.gz VNSNGSYYKCDVMI-OEMMCLACSA-N 0 0 423.454 3.788 50 10 HHCARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214196 571296868 /nfs/dbraw/zinc/29/68/68/571296868.db2.gz IMDZSMWKNDJXRJ-FQEVSTJZSA-N 0 0 407.470 3.884 50 10 HHCARN COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010214508 571296897 /nfs/dbraw/zinc/29/68/97/571296897.db2.gz FEPDENJGSZGYHQ-HXUWFJFHSA-N 0 0 421.497 3.591 50 10 HHCARN CCOC(=O)c1cnc(NC2=NC(=O)C(=Cc3cccc4ccccc34)S2)[nH]c1=O ZINC000012860312 571308451 /nfs/dbraw/zinc/30/84/51/571308451.db2.gz VIWTWMRPDZRBCM-MHWRWJLKSA-N 0 0 420.450 3.595 50 10 HHCARN