smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1N1CCCC1=O ZINC000038756338 205038710 /nfs/dbraw/zinc/03/87/10/205038710.db2.gz UVQRTMGLUXNVOT-UHFFFAOYSA-N 0 3 395.525 1.976 40 0 GDABHN COc1ccc(CN(C)CC(=O)N2CCn3c(nnc3[C@@H]3CCCN3)C2)cc1 ZINC000072373956 205338659 /nfs/dbraw/zinc/33/86/59/205338659.db2.gz UFLKWMYJLHTNAN-KRWDZBQOSA-N 0 3 384.484 1.185 40 0 GDABHN COc1cccc(C(=O)NCCn2nc([C@@H]3CCN(C)C3)c3nccnc32)c1 ZINC000072391615 205342678 /nfs/dbraw/zinc/34/26/78/205342678.db2.gz MNXPMZWCDNYAIH-OAHLLOKOSA-N 0 3 380.452 1.684 40 0 GDABHN O=C(CCCc1nc2ccc(F)cc2[nH]1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257273095 206170939 /nfs/dbraw/zinc/17/09/39/206170939.db2.gz NFGBQYUPACHRLU-WRWLIDTKSA-N 0 3 390.459 1.365 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1cccc(OC)c1 ZINC000257327006 206179499 /nfs/dbraw/zinc/17/94/99/206179499.db2.gz WZLTUCJTGGKIRF-QUCCMNQESA-N 0 3 391.512 1.641 40 0 GDABHN Cc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306124061 206196621 /nfs/dbraw/zinc/19/66/21/206196621.db2.gz BENBKNUGZXHFIK-OAQYLSRUSA-N 0 3 382.464 1.298 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cccnc4)C[C@H]32)cc1 ZINC000306123738 206197884 /nfs/dbraw/zinc/19/78/84/206197884.db2.gz AVCSKQHIGXZHDQ-MOPGFXCFSA-N 0 3 389.459 1.386 40 0 GDABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306133301 206201977 /nfs/dbraw/zinc/20/19/77/206201977.db2.gz MHXKAZGMKDXGHL-GJZGRUSLSA-N 0 3 395.463 1.593 40 0 GDABHN Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CCN([C@H]3CCOC3)CC2)O1 ZINC000096243891 570223678 /nfs/dbraw/zinc/22/36/78/570223678.db2.gz GZUMAQOOOKOYSU-WMZOPIPTSA-N 0 3 397.479 1.704 40 0 GDABHN Cn1ccnc1COc1ccc(CN2CC[C@@](O)(CN3CCOCC3)C2)cc1 ZINC000585270364 570239436 /nfs/dbraw/zinc/23/94/36/570239436.db2.gz VMDMCXJSXZMHFA-OAQYLSRUSA-N 0 3 386.496 1.268 40 0 GDABHN O[C@@]1(CNCc2cccc(CN3CCOCC3)c2)CCCN(c2cnccn2)C1 ZINC000585274420 570243456 /nfs/dbraw/zinc/24/34/56/570243456.db2.gz WGAQSNDUVHPMRG-JOCHJYFZSA-N 0 3 397.523 1.430 40 0 GDABHN CN(CCc1ccccn1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286171 570255722 /nfs/dbraw/zinc/25/57/22/570255722.db2.gz WKYHAMYBGNAVJP-JTHBVZDNSA-N 0 3 397.519 1.513 40 0 GDABHN CCOc1ccc(CNC[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc1 ZINC000585290342 570258120 /nfs/dbraw/zinc/25/81/20/570258120.db2.gz QLGJTDQEGFVADJ-IRLDBZIGSA-N 0 3 384.476 1.813 40 0 GDABHN COCCOc1cc(CNC[C@@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257334150 570487071 /nfs/dbraw/zinc/48/70/71/570487071.db2.gz YESNXLFMYUZYEP-FQEVSTJZSA-N 0 3 388.468 1.241 40 0 GDABHN Cc1cc(N2CC[C@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257250896 570488214 /nfs/dbraw/zinc/48/82/14/570488214.db2.gz JOMGYUBVIAARHN-QFIPXVFZSA-N 0 3 397.523 1.348 40 0 GDABHN CC(=O)N[C@H]1CN(C)C2(C1)CCN(C(=O)CCOc1cccc(F)c1)CC2 ZINC000019704214 570896667 /nfs/dbraw/zinc/89/66/67/570896667.db2.gz DBUVLFLUNCOIAK-QGZVFWFLSA-N 0 3 377.460 1.796 40 0 GDABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585103766 570928906 /nfs/dbraw/zinc/92/89/06/570928906.db2.gz JAIUJKVTWMACMO-ROUUACIJSA-N 0 3 394.537 1.621 40 0 GDABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103695 570929118 /nfs/dbraw/zinc/92/91/18/570929118.db2.gz IMJMRRACUZVVJM-AZUAARDMSA-N 0 3 388.508 1.838 40 0 GDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585104236 570933193 /nfs/dbraw/zinc/93/31/93/570933193.db2.gz OHKOONIPELNVBU-RTBURBONSA-N 0 3 394.537 1.454 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CCN(Cc3ccsc3)C1)C2 ZINC000306126248 570936865 /nfs/dbraw/zinc/93/68/65/570936865.db2.gz DQVIPBPBYMNOIJ-NRFANRHFSA-N 0 3 394.500 1.963 40 0 GDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1ccc(F)cc1 ZINC000054435417 570983058 /nfs/dbraw/zinc/98/30/58/570983058.db2.gz JJGACRIQZRWCRR-HOTGVXAUSA-N 0 3 376.432 1.169 40 0 GDABHN COc1cc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)on1 ZINC000019590386 571018233 /nfs/dbraw/zinc/01/82/33/571018233.db2.gz VAMPQNZMRLHDRL-CQSZACIVSA-N 0 3 385.468 1.800 40 0 GDABHN CC1CCC(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)(N2CCCCC2)CC1 ZINC000019655254 571023357 /nfs/dbraw/zinc/02/33/57/571023357.db2.gz RRJWYHFDUCPTNZ-FDYSRKEFSA-N 0 3 399.601 1.656 40 0 GDABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056107 571098107 /nfs/dbraw/zinc/09/81/07/571098107.db2.gz PUAWGLMQJZLBAY-UWJYYQICSA-N 0 3 380.496 1.678 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1 ZINC000053790726 205137864 /nfs/dbraw/zinc/13/78/64/205137864.db2.gz PDEGOGLYWGSYKJ-INIZCTEOSA-N 0 3 379.526 1.606 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1Cl ZINC000257257873 206167832 /nfs/dbraw/zinc/16/78/32/206167832.db2.gz KRKWUVDKGJHTOJ-QAPCUYQASA-N 0 3 381.904 1.944 40 0 GDABHN CCCCc1cc(C(=O)N2CCC[C@](O)(CN3CCN(C)CC3)CC2)[nH]n1 ZINC000257330274 206179958 /nfs/dbraw/zinc/17/99/58/206179958.db2.gz XNQOQWSCCLRHNJ-HXUWFJFHSA-N 0 3 377.533 1.357 40 0 GDABHN O=C(c1ccccc1)N1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290084 560031066 /nfs/dbraw/zinc/03/10/66/560031066.db2.gz SNRBDIFNDMFJEZ-FCHUYYIVSA-N 0 3 391.515 1.875 40 0 biogenic,in-vitro GDABHN COCCN1CC[C@@H](c2nnc3ccc(C(=O)NCCc4ccncc4)cn32)C1 ZINC000096156141 570216570 /nfs/dbraw/zinc/21/65/70/570216570.db2.gz ZTOXXKXZKHWRRO-QGZVFWFLSA-N 0 3 394.479 1.533 40 0 GDABHN COc1ccc(CNC[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc1 ZINC000585284513 570253308 /nfs/dbraw/zinc/25/33/08/570253308.db2.gz LOEBTHCKKXEHRP-JTHBVZDNSA-N 0 3 398.503 1.742 40 0 GDABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(CC3(O)CCOCC3)CC[C@@H]2O)c1 ZINC000585284667 570254014 /nfs/dbraw/zinc/25/40/14/570254014.db2.gz YZXVWGPEYMGTMJ-HKUYNNGSSA-N 0 3 385.888 1.366 40 0 GDABHN COc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585285801 570255387 /nfs/dbraw/zinc/25/53/87/570255387.db2.gz UCNVVKWLAOWDPZ-GMAHTHKFSA-N 0 3 398.503 1.742 40 0 GDABHN COCCc1nccc(C[C@H]2[C@H](NCc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382146 570353368 /nfs/dbraw/zinc/35/33/68/570353368.db2.gz HNJMJYXATQQCGF-UAFMIMERSA-N 0 3 389.471 1.495 40 0 biogenic,in-vitro GDABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CSc2nccc(=O)n2C1 ZINC000090609915 570385306 /nfs/dbraw/zinc/38/53/06/570385306.db2.gz FMAZESZEXSABRT-MRXNPFEDSA-N 0 3 384.505 1.746 40 0 GDABHN CN1CCN([C@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2O)CC1 ZINC000257302971 570488581 /nfs/dbraw/zinc/48/85/81/570488581.db2.gz SFFISNIRCQNIQF-VXKWHMMOSA-N 0 3 382.508 1.453 40 0 GDABHN COc1cccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000010111524 570781803 /nfs/dbraw/zinc/78/18/03/570781803.db2.gz RJNORIKVYKYTRA-UHFFFAOYSA-N 0 3 391.493 1.568 40 0 GDABHN Cc1ccc(=O)n(CC(=O)N2Cc3ccccc3OC3(CCN(C)CC3)C2)n1 ZINC000019131051 570958589 /nfs/dbraw/zinc/95/85/89/570958589.db2.gz LWUWCXOXVRLROR-UHFFFAOYSA-N 0 3 382.464 1.437 40 0 GDABHN O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1cccc(F)c1F)CC2 ZINC000019292759 570972648 /nfs/dbraw/zinc/97/26/48/570972648.db2.gz OOVQYTAKMNAQAA-UHFFFAOYSA-N 0 3 376.407 1.486 40 0 GDABHN Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cnn1C ZINC000019553935 571002471 /nfs/dbraw/zinc/00/24/71/571002471.db2.gz ZKGPQPVXRWLKLJ-OAHLLOKOSA-N 0 3 376.486 1.080 40 0 GDABHN CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000044402021 205085186 /nfs/dbraw/zinc/08/51/86/205085186.db2.gz SQOKVMMMWBTFOQ-LJQANCHMSA-N 0 3 393.553 1.960 40 0 GDABHN O=C(N1CCn2c(nnc2[C@H]2CCCN2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000072373941 205336852 /nfs/dbraw/zinc/33/68/52/205336852.db2.gz ANPHRNDPACYQKB-QGZVFWFLSA-N 0 3 399.470 1.932 40 0 GDABHN NCc1cccc(C(=O)NCC2(O)CCN(c3ccnc4ccncc43)CC2)c1 ZINC000257241832 206164789 /nfs/dbraw/zinc/16/47/89/206164789.db2.gz HZUBNNOJVCGBRU-UHFFFAOYSA-N 0 3 391.475 1.850 40 0 GDABHN COC(=O)c1csc(CNC[C@H]2CC[C@]3(COCCN(C(C)=O)C3)O2)c1 ZINC000306139529 206204952 /nfs/dbraw/zinc/20/49/52/206204952.db2.gz SZQBKPKQIVPCNV-QAPCUYQASA-N 0 3 382.482 1.421 40 0 GDABHN COCCN1CC[C@H](NCC2CC2)[C@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141956 206206353 /nfs/dbraw/zinc/20/63/53/206206353.db2.gz WLIHXIYYHYOGSH-ICSRJNTNSA-N 0 3 378.517 1.281 40 0 GDABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@H]2C1 ZINC000306126774 206197197 /nfs/dbraw/zinc/19/71/97/206197197.db2.gz FEZWPURUBGCFOS-LSDHHAIUSA-N 0 3 382.468 1.268 40 0 GDABHN O=C(c1nc2c(o1)CN(Cc1cccnc1)C2)N1CCN(c2ccncc2)CC1 ZINC000096147298 136184310 /nfs/dbraw/zinc/18/43/10/136184310.db2.gz CKDOCONPTMOLIC-UHFFFAOYSA-N 0 3 390.447 1.943 40 0 GDABHN CC1CCN(C[C@@H]2OC[C@H](NCc3ccc(S(C)(=O)=O)cc3)[C@H]2O)CC1 ZINC000514289407 560032823 /nfs/dbraw/zinc/03/28/23/560032823.db2.gz SEVJYNXVIYVOEJ-GBESFXJTSA-N 0 3 382.526 1.040 40 0 biogenic,in-vitro GDABHN O=S1(=O)CC[C@H](NCCn2cncc2-c2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019719643 570210591 /nfs/dbraw/zinc/21/05/91/570210591.db2.gz YXMWZZCJPHNNAW-INIZCTEOSA-N 0 3 389.456 1.652 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282487 570250179 /nfs/dbraw/zinc/25/01/79/570250179.db2.gz KYRPNPBUZDHQCM-HXUWFJFHSA-N 0 3 380.460 1.669 40 0 GDABHN CN(C)C(=O)[C@]1(C)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585283836 570251953 /nfs/dbraw/zinc/25/19/53/570251953.db2.gz PBRBOMZKIFZUPD-IBGZPJMESA-N 0 3 379.476 1.336 40 0 GDABHN CCOC(=O)c1ccc(N(C[C@@H](N)O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002034991 570272302 /nfs/dbraw/zinc/27/23/02/570272302.db2.gz PQTQMXZSBYIKJR-KRWDZBQOSA-N 0 3 378.450 1.644 40 0 GDABHN CN1CCN(CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000216253484 570297661 /nfs/dbraw/zinc/29/76/61/570297661.db2.gz NPRXAMLRJDAGMT-UHFFFAOYSA-N 0 3 388.921 1.079 40 0 GDABHN CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCN2CCN(CC)CC2)nn1 ZINC000022586573 570322278 /nfs/dbraw/zinc/32/22/78/570322278.db2.gz VUKQXMITAMEPNL-IBGZPJMESA-N 0 3 388.491 1.784 40 0 GDABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(C)nn3C)C[C@@H]21 ZINC000585109649 570938105 /nfs/dbraw/zinc/93/81/05/570938105.db2.gz HRHBOXAVPZBQGA-JAXLGGSGSA-N 0 3 398.507 1.778 40 0 GDABHN Cn1ccc(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C4CC[NH+](C)CC4)n3)C2)n1 ZINC000019290920 570971899 /nfs/dbraw/zinc/97/18/99/570971899.db2.gz YMYFUCIGMGROBQ-HNNXBMFYSA-N 0 3 384.484 1.332 40 0 GDABHN O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019345638 570977570 /nfs/dbraw/zinc/97/75/70/570977570.db2.gz DRXZNRZPLHFYNV-QGZVFWFLSA-N 0 3 380.448 1.800 40 0 GDABHN O=C(Cc1ccc2c(c1)OCCO2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019345697 570977582 /nfs/dbraw/zinc/97/75/82/570977582.db2.gz KLQHBSSGCZXVSQ-KRWDZBQOSA-N 0 3 380.448 1.800 40 0 GDABHN O=C(Cc1ccc2c(c1)OCCO2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019345699 570977734 /nfs/dbraw/zinc/97/77/34/570977734.db2.gz KLQHBSSGCZXVSQ-QGZVFWFLSA-N 0 3 380.448 1.800 40 0 GDABHN CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cn1 ZINC000019525067 570996795 /nfs/dbraw/zinc/99/67/95/570996795.db2.gz VLVPJXXKMMRWOL-MRXNPFEDSA-N 0 3 376.486 1.255 40 0 GDABHN COc1cc(CCC(=O)NCCn2nc([C@@H]3CCN(C)C3)c3cccnc32)on1 ZINC000019587896 571015750 /nfs/dbraw/zinc/01/57/50/571015750.db2.gz OISUMGMAGYBIOW-CQSZACIVSA-N 0 3 398.467 1.596 40 0 GDABHN COCCOc1cccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019593807 571020493 /nfs/dbraw/zinc/02/04/93/571020493.db2.gz MWFOBFPGZFIJCN-UHFFFAOYSA-N 0 3 398.507 1.996 40 0 GDABHN COCCOc1cccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019593807 571020496 /nfs/dbraw/zinc/02/04/96/571020496.db2.gz MWFOBFPGZFIJCN-UHFFFAOYSA-N 0 3 398.507 1.996 40 0 GDABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056108 571098062 /nfs/dbraw/zinc/09/80/62/571098062.db2.gz YXZODHGKDOFKCL-RXVVDRJESA-N 0 3 380.496 1.678 40 0 GDABHN CCn1c(SCCN2CCCC2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000005001478 530538510 /nfs/dbraw/zinc/53/85/10/530538510.db2.gz BWLOGECNFRHKMO-AWEZNQCLSA-N 0 3 387.575 1.625 40 0 GDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218191545 531027783 /nfs/dbraw/zinc/02/77/83/531027783.db2.gz LTFPHXCXOHEUNL-SGMGOOAPSA-N 0 3 376.272 1.468 40 0 GDABHN NC[C@]1(N)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180632 531027834 /nfs/dbraw/zinc/02/78/34/531027834.db2.gz GTACBAKTANSLKN-ULQDDVLXSA-N 0 3 380.853 1.665 40 0 GDABHN CN1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000035442427 291108458 /nfs/dbraw/zinc/10/84/58/291108458.db2.gz FGSLZUCTDREHBR-ZVDOUQERSA-N 0 3 384.524 1.366 40 0 biogenic,in-vitro GDABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298744 291109677 /nfs/dbraw/zinc/10/96/77/291109677.db2.gz NRRRQZYPORJKPG-IPELMVKDSA-N 0 3 387.459 1.590 40 0 biogenic,in-vitro GDABHN COCc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccccc1 ZINC000040391128 205062704 /nfs/dbraw/zinc/06/27/04/205062704.db2.gz LTXAJJVHSFLHBK-UHFFFAOYSA-N 0 3 378.436 1.814 40 0 GDABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000044913749 205091379 /nfs/dbraw/zinc/09/13/79/205091379.db2.gz HWAZMZNRPGRCNM-UHFFFAOYSA-N 0 3 376.520 1.791 40 0 GDABHN COc1cccc(C2(CNC(=O)C3CN(C(=O)C4CCN(C)CC4)C3)CC2)c1 ZINC000072392062 205342456 /nfs/dbraw/zinc/34/24/56/205342456.db2.gz ZZLZNURNQOKGOT-UHFFFAOYSA-N 0 3 385.508 1.643 40 0 GDABHN CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)CN4CCC[C@@H](C)C4)C3)ncc2C1 ZINC000072397270 205343838 /nfs/dbraw/zinc/34/38/38/205343838.db2.gz OHQXHLFZKISAMU-AEFFLSMTSA-N 0 3 399.539 1.819 40 0 GDABHN Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306129175 206198924 /nfs/dbraw/zinc/19/89/24/206198924.db2.gz HWMOYWYWNUAZGH-HXUWFJFHSA-N 0 3 380.427 1.725 40 0 GDABHN O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCC(F)(F)CC4)C3)N2C1 ZINC000514289929 560031498 /nfs/dbraw/zinc/03/14/98/560031498.db2.gz QFEZZSFLNQUDIE-RBUKOAKNSA-N 0 3 392.494 1.965 40 0 biogenic,in-vitro GDABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1O ZINC000514289172 560033220 /nfs/dbraw/zinc/03/32/20/560033220.db2.gz XZUVVBARKZZVNR-ISWURRPUSA-N 0 3 385.411 1.325 40 0 biogenic,in-vitro GDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccs2)[C@H]1O ZINC000514288734 560034052 /nfs/dbraw/zinc/03/40/52/560034052.db2.gz ALWHHODXMKFEJR-XYJFISCASA-N 0 3 396.534 1.329 40 0 biogenic,in-vitro GDABHN CN1CCN(C(=O)c2ccc3ccc(N4CCN(CC5CC5)CC4)n3c2)CC1 ZINC000096155926 570216541 /nfs/dbraw/zinc/21/65/41/570216541.db2.gz RQPUZFHTQJYTTD-UHFFFAOYSA-N 0 3 381.524 1.859 40 0 GDABHN COc1ccc(/C=C/C(=O)NCCCN2CCN(C)CC2)c(OC)c1OC ZINC000022829386 570377610 /nfs/dbraw/zinc/37/76/10/570377610.db2.gz DABWGESJUVAQQD-VQHVLOKHSA-N 0 3 377.485 1.479 40 0 GDABHN CCS(=O)(=O)N1C[C@@H](C(=O)NCCN2CCCCCC2)Oc2ccccc21 ZINC000026112955 570450325 /nfs/dbraw/zinc/45/03/25/570450325.db2.gz SPCYRROFSFTJSQ-SFHVURJKSA-N 0 3 395.525 1.596 40 0 GDABHN O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104597 570933444 /nfs/dbraw/zinc/93/34/44/570933444.db2.gz RAKZDZXPJFJJPL-QGZVFWFLSA-N 0 3 395.525 1.098 40 0 GDABHN O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019403668 570982965 /nfs/dbraw/zinc/98/29/65/570982965.db2.gz RYWDYXQHRLQGLH-SFHVURJKSA-N 0 3 394.479 1.331 40 0 GDABHN COCc1ccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)o1 ZINC000019594504 571020301 /nfs/dbraw/zinc/02/03/01/571020301.db2.gz ZXSQORQFDXBSTA-WSXQUGQNSA-N 0 3 389.452 1.963 40 0 GDABHN COc1ccccc1S(=O)(=O)N1CCC[C@H](c2nnc3n2CCNCC3)C1 ZINC000019709364 571034164 /nfs/dbraw/zinc/03/41/64/571034164.db2.gz IQUFFLOPTUSIOM-AWEZNQCLSA-N 0 3 391.497 1.001 40 0 GDABHN O=C(N1CCCC1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036353 571095911 /nfs/dbraw/zinc/09/59/11/571095911.db2.gz CQDUSVVLHYBQGG-QFIPXVFZSA-N 0 3 397.523 1.702 40 0 GDABHN COc1ccc2c(c1)c(CN1CCC[C@H](CN3CCCC3=O)C1)cn2CC(N)=O ZINC000012222656 204384716 /nfs/dbraw/zinc/38/47/16/204384716.db2.gz YVWBNNMWOAMUJU-INIZCTEOSA-N 0 3 398.507 1.970 40 0 GDABHN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1 ZINC000225086487 206036184 /nfs/dbraw/zinc/03/61/84/206036184.db2.gz GWSOQCJREDAWKM-UHFFFAOYSA-N 0 3 393.509 1.884 40 0 GDABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 ZINC000257338336 206182235 /nfs/dbraw/zinc/18/22/35/206182235.db2.gz YWXZMUZMVTZVSP-HXUWFJFHSA-N 0 3 388.468 1.613 40 0 GDABHN O[C@H]1[C@H](Oc2ccccc2)C[C@@H](NCc2cccnc2)[C@@H]1N1CCC(O)CC1 ZINC000257320220 206178607 /nfs/dbraw/zinc/17/86/07/206178607.db2.gz VVVIAXQQUVCIKO-CZYKHXBRSA-N 0 3 383.492 1.577 40 0 GDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306141554 206206862 /nfs/dbraw/zinc/20/68/62/206206862.db2.gz WAJNVBJNODRRJH-UHFFFAOYSA-N 0 3 389.525 1.944 40 0 GDABHN CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)CC1 ZINC000096155980 570216480 /nfs/dbraw/zinc/21/64/80/570216480.db2.gz ICZYMFQQDSPYJG-LJQANCHMSA-N 0 3 383.496 1.384 40 0 GDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000585271484 570238256 /nfs/dbraw/zinc/23/82/56/570238256.db2.gz FTYNDMUJFTYBSX-QFIPXVFZSA-N 0 3 397.523 1.382 40 0 GDABHN CCOc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585289845 570257699 /nfs/dbraw/zinc/25/76/99/570257699.db2.gz KWSCKKDARJMUNY-GGAORHGYSA-N 0 3 398.503 1.742 40 0 GDABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000575420545 570307860 /nfs/dbraw/zinc/30/78/60/570307860.db2.gz BVTHLTRRBSDMKR-INIZCTEOSA-N 0 3 388.555 1.596 40 0 GDABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccc(F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382569 570353473 /nfs/dbraw/zinc/35/34/73/570353473.db2.gz RXNRCOKPIAAEKR-UAFMIMERSA-N 0 3 389.471 1.495 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)[C@H](C)N4CCCCC4)CC3)ncc2C1 ZINC000019078090 570955087 /nfs/dbraw/zinc/95/50/87/570955087.db2.gz SNAQXBBRXGMPRK-INIZCTEOSA-N 0 3 399.539 1.962 40 0 GDABHN CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@H](C)N3CCCC3)C2)c2cccnc21 ZINC000019077606 570955229 /nfs/dbraw/zinc/95/52/29/570955229.db2.gz WNTPKAIRFIMEQA-DOTOQJQBSA-N 0 3 398.511 1.368 40 0 GDABHN CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@@H](C)N3CCCC3)C2)c2cccnc21 ZINC000019077602 570955448 /nfs/dbraw/zinc/95/54/48/570955448.db2.gz WNTPKAIRFIMEQA-NVXWUHKLSA-N 0 3 398.511 1.368 40 0 GDABHN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019374862 570981635 /nfs/dbraw/zinc/98/16/35/570981635.db2.gz VTLJLCPWYKKEGA-PBHICJAKSA-N 0 3 391.475 1.954 40 0 GDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218202953 531027872 /nfs/dbraw/zinc/02/78/72/531027872.db2.gz NXLHIPYJIKYSSQ-YDHLFZDLSA-N 0 3 390.299 1.858 40 0 GDABHN NC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180487 531027892 /nfs/dbraw/zinc/02/78/92/531027892.db2.gz GTACBAKTANSLKN-IKGGRYGDSA-N 0 3 380.853 1.665 40 0 GDABHN CCc1nn(CC(=O)NC[C@@H]2CCCN2CC)c(=O)c2cc3sccc3n21 ZINC000005108930 204112467 /nfs/dbraw/zinc/11/24/67/204112467.db2.gz UVCVRPVORZMHCR-ZDUSSCGKSA-N 0 3 387.509 1.874 40 0 GDABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)Cn3cccn3)c2)CC1 ZINC000019698238 204670941 /nfs/dbraw/zinc/67/09/41/204670941.db2.gz XCXAWFPXNFTSHA-HXUWFJFHSA-N 0 3 396.495 1.619 40 0 GDABHN COc1ccc(CCC(=O)N2CCNC[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355153 205332748 /nfs/dbraw/zinc/33/27/48/205332748.db2.gz NDCHFQIKXSQHQB-GOSISDBHSA-N 0 3 397.523 1.775 40 0 GDABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3ccccc3F)c3nccnc23)C1 ZINC000072391664 205342104 /nfs/dbraw/zinc/34/21/04/205342104.db2.gz QYLJFSXGRDHENT-HNNXBMFYSA-N 0 3 382.443 1.743 40 0 GDABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3ccc(F)cc3)c3nccnc23)C1 ZINC000072391666 205342599 /nfs/dbraw/zinc/34/25/99/205342599.db2.gz CXVGTOSAJCSONM-HNNXBMFYSA-N 0 3 382.443 1.743 40 0 GDABHN CCOC(=O)Cn1nnnc1[C@H](C(C)C)N1CCN(C2CCCCC2)CC1 ZINC000020098337 205916954 /nfs/dbraw/zinc/91/69/54/205916954.db2.gz UXEQZMJDIBMJIR-SFHVURJKSA-N 0 3 378.521 1.884 40 0 GDABHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 ZINC000224158828 206014809 /nfs/dbraw/zinc/01/48/09/206014809.db2.gz HUEBZRPILDWWRT-UHFFFAOYSA-N 0 3 379.457 1.942 40 0 GDABHN Cn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)cn1 ZINC000306139104 206204794 /nfs/dbraw/zinc/20/47/94/206204794.db2.gz SPJZYLGBTZCVIE-UHFFFAOYSA-N 0 3 397.527 1.913 40 0 GDABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2cccnc2)C1 ZINC000306139922 206205898 /nfs/dbraw/zinc/20/58/98/206205898.db2.gz UEDKBDWGOSUENW-FQEVSTJZSA-N 0 3 395.488 1.457 40 0 GDABHN Cc1ncc(CN2CC[C@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)[nH]1 ZINC000306127621 206198423 /nfs/dbraw/zinc/19/84/23/206198423.db2.gz GDPBRUIKKWUZFO-ZSDSOXJFSA-N 0 3 398.511 1.796 40 0 GDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306134945 206204088 /nfs/dbraw/zinc/20/40/88/206204088.db2.gz OCDNXFLDVUEVAH-CABCVRRESA-N 0 3 383.452 1.449 40 0 GDABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(Cc4nccs4)C3)N2C1 ZINC000514289227 560032931 /nfs/dbraw/zinc/03/29/31/560032931.db2.gz JXHIGCPJENOVTJ-RBUKOAKNSA-N 0 3 384.549 1.691 40 0 biogenic,in-vitro GDABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 ZINC000008253933 560107940 /nfs/dbraw/zinc/10/79/40/560107940.db2.gz CTLAABIVZFGQBP-OLMNPRSZSA-N 0 3 384.484 1.000 40 0 biogenic,in-vitro GDABHN CC1CCN(CCNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000019748025 570214259 /nfs/dbraw/zinc/21/42/59/570214259.db2.gz GBWVTESCJKPSGW-MRXNPFEDSA-N 0 3 397.516 1.684 40 0 GDABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000096228770 570221331 /nfs/dbraw/zinc/22/13/31/570221331.db2.gz ZHYZDDWPUSZYCC-NRFANRHFSA-N 0 3 386.496 1.774 40 0 GDABHN CC(C)NC(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096262539 570226430 /nfs/dbraw/zinc/22/64/30/570226430.db2.gz BBESXLXVQBQMKR-NRFANRHFSA-N 0 3 385.512 1.604 40 0 GDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585284874 570254389 /nfs/dbraw/zinc/25/43/89/570254389.db2.gz ACXARAHBOXYGIG-SFTDATJTSA-N 0 3 376.497 1.491 40 0 GDABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN(CCO)Cc2ccccc2)C1 ZINC000585292138 570261243 /nfs/dbraw/zinc/26/12/43/570261243.db2.gz WXOJLWTYINOCLB-GGAORHGYSA-N 0 3 398.503 1.048 40 0 GDABHN COCCOc1cccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)c1 ZINC000585293955 570263511 /nfs/dbraw/zinc/26/35/11/570263511.db2.gz CAZGXBVFUSDIEP-LNRXMEIDSA-N 0 3 387.476 1.221 40 0 GDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801605 570281416 /nfs/dbraw/zinc/28/14/16/570281416.db2.gz HYNYRLSWKVYECI-HZPDHXFCSA-N 0 3 392.887 1.684 40 0 GDABHN CNc1cc(CN(C)S(=O)(=O)c2c(C)noc2C)nc([C@H]2CCCN2)n1 ZINC000019759947 570887750 /nfs/dbraw/zinc/88/77/50/570887750.db2.gz KFYMEAOBMNVUQC-CYBMUJFWSA-N 0 3 380.474 1.368 40 0 GDABHN CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(CC1CC(F)(F)C1)CC2 ZINC000585100624 570924670 /nfs/dbraw/zinc/92/46/70/570924670.db2.gz QLXRLIGOMKXESD-INIZCTEOSA-N 0 3 378.485 1.923 40 0 GDABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)s1 ZINC000585104229 570932952 /nfs/dbraw/zinc/93/29/52/570932952.db2.gz NTHQCCFFMLEYKB-HZPDHXFCSA-N 0 3 379.526 1.838 40 0 GDABHN COc1ccc(CN2CCC[C@@H](Cn3nnc4c3nc(C)[nH]c4=O)C2)c(OC)c1 ZINC000019286469 570969702 /nfs/dbraw/zinc/96/97/02/570969702.db2.gz UEOCNIXSLZMNGI-CQSZACIVSA-N 0 3 398.467 1.752 40 0 GDABHN CC(C)N(Cc1ccccc1)C(=O)CN1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000019706307 571032406 /nfs/dbraw/zinc/03/24/06/571032406.db2.gz XVGNPMDAUBNDEP-LJQANCHMSA-N 0 3 396.539 1.998 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)cc1C ZINC000019710628 571034489 /nfs/dbraw/zinc/03/44/89/571034489.db2.gz VIZGVSOXUZVMMO-OAHLLOKOSA-N 0 3 391.497 1.267 40 0 GDABHN Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@]3(COCCN(C(C)C)C3)O2)c1 ZINC000306130222 206199307 /nfs/dbraw/zinc/19/93/07/206199307.db2.gz IZKVDZSSLUJNGR-MJGOQNOKSA-N 0 3 382.526 1.932 40 0 GDABHN COCCN1CCN(c2ccc3ccc(C(=O)N4CCCN(C)CC4)cn32)CC1 ZINC000063527489 206219018 /nfs/dbraw/zinc/21/90/18/206219018.db2.gz HUSKLSLQDWBMFL-UHFFFAOYSA-N 0 3 399.539 1.485 40 0 GDABHN COc1cccc(CN2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244169 136185813 /nfs/dbraw/zinc/18/58/13/136185813.db2.gz DASGIURWGUZBMD-QFIPXVFZSA-N 0 3 396.491 1.996 40 0 GDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408707423 529102367 /nfs/dbraw/zinc/10/23/67/529102367.db2.gz AOZPDNBKNOUENA-INIZCTEOSA-N 0 3 386.496 1.898 40 0 GDABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(Cc4nccs4)C3)N2C1 ZINC000514289228 560033154 /nfs/dbraw/zinc/03/31/54/560033154.db2.gz JXHIGCPJENOVTJ-RTBURBONSA-N 0 3 384.549 1.691 40 0 biogenic,in-vitro GDABHN CN(C)CCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2ccncc2)n1 ZINC000329051390 570215234 /nfs/dbraw/zinc/21/52/34/570215234.db2.gz UVZOSXCBNUYLQM-UHFFFAOYSA-N 0 3 377.452 1.190 40 0 GDABHN CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@H](CN3CCN(C)CC3)CO2)C1 ZINC000096228440 570221206 /nfs/dbraw/zinc/22/12/06/570221206.db2.gz ZMAHLKYGWCRYJN-NQIIRXRSSA-N 0 3 389.544 1.470 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282738 570250921 /nfs/dbraw/zinc/25/09/21/570250921.db2.gz NHNGSAGIZADLOO-NRFANRHFSA-N 0 3 394.487 1.713 40 0 GDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585104233 570932939 /nfs/dbraw/zinc/93/29/39/570932939.db2.gz OHKOONIPELNVBU-MOPGFXCFSA-N 0 3 394.537 1.454 40 0 GDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585105109 570934106 /nfs/dbraw/zinc/93/41/06/570934106.db2.gz YKESIKJERUBPTI-UXHICEINSA-N 0 3 388.508 1.789 40 0 GDABHN c1cc(CN2CCCC[C@@H]2CCN2CCOCC2)nc(N2CCOCC2)n1 ZINC000019404044 570983276 /nfs/dbraw/zinc/98/32/76/570983276.db2.gz MJKULCRDAHRFIT-LJQANCHMSA-N 0 3 375.517 1.390 40 0 GDABHN CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c(C)n1 ZINC000019524538 570996475 /nfs/dbraw/zinc/99/64/75/570996475.db2.gz RCKQSNQOKPZROV-MRXNPFEDSA-N 0 3 386.500 1.511 40 0 GDABHN CCn1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c(C)n1 ZINC000019524538 570996477 /nfs/dbraw/zinc/99/64/77/570996477.db2.gz RCKQSNQOKPZROV-MRXNPFEDSA-N 0 3 386.500 1.511 40 0 GDABHN COc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1OC ZINC000019560353 571005375 /nfs/dbraw/zinc/00/53/75/571005375.db2.gz YIURIISWYRIYRO-HNNXBMFYSA-N 0 3 382.464 1.698 40 0 GDABHN COc1cc(CCC(=O)NCCn2nc([C@H]3CCN(C)C3)c3cccnc32)on1 ZINC000019587899 571015779 /nfs/dbraw/zinc/01/57/79/571015779.db2.gz OISUMGMAGYBIOW-AWEZNQCLSA-N 0 3 398.467 1.596 40 0 GDABHN CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NCCCN3CCC(C(N)=O)CC3)c2C1 ZINC000019661500 571025772 /nfs/dbraw/zinc/02/57/72/571025772.db2.gz PYQSMFJSWDSPDE-HNNXBMFYSA-N 0 3 389.544 1.878 40 0 GDABHN COc1ccc(C)cc1S(=O)(=O)N1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000019706397 571032430 /nfs/dbraw/zinc/03/24/30/571032430.db2.gz IVYLKPQMDFFFBR-CQSZACIVSA-N 0 3 391.497 1.267 40 0 GDABHN Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](c3nnc4n3CCNCC4)C2)c1 ZINC000019709360 571034269 /nfs/dbraw/zinc/03/42/69/571034269.db2.gz SWXFADCRSMFNJS-AWEZNQCLSA-N 0 3 393.488 1.440 40 0 GDABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccc(OC)cc1)CC2 ZINC000019711612 571035493 /nfs/dbraw/zinc/03/54/93/571035493.db2.gz JZBLMSIFUACGEQ-SFHVURJKSA-N 0 3 396.495 1.948 40 0 GDABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(OC)cc2)nn1 ZINC000008297683 291109257 /nfs/dbraw/zinc/10/92/57/291109257.db2.gz FQMLBUGOQJMVDH-LMMKCTJWSA-N 0 3 399.495 1.427 40 0 biogenic,in-vitro GDABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2OC)nn1 ZINC000008298274 291109673 /nfs/dbraw/zinc/10/96/73/291109673.db2.gz RZDOCCNUHOEHNI-IPELMVKDSA-N 0 3 399.495 1.460 40 0 biogenic,in-vitro GDABHN COc1ccccc1CN1C[C@@H](C(=O)N(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334454 205328515 /nfs/dbraw/zinc/32/85/15/205328515.db2.gz FERLSKBONSRGAF-WMZHIEFXSA-N 0 3 393.487 1.940 40 0 GDABHN CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCN(C(C)C)CC3)cc21 ZINC000072345799 205329120 /nfs/dbraw/zinc/32/91/20/205329120.db2.gz NBWBDELTDOCURC-LJQANCHMSA-N 0 3 379.526 1.961 40 0 GDABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3nccnc23)C1 ZINC000072391671 205342192 /nfs/dbraw/zinc/34/21/92/205342192.db2.gz OZOFRDAMKZYZAR-OAHLLOKOSA-N 0 3 382.443 1.743 40 0 GDABHN CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(CC2(O)CCOCC2)C1 ZINC000257205760 206160235 /nfs/dbraw/zinc/16/02/35/206160235.db2.gz BAMBMLJJFBPGKY-GFCCVEGCSA-N 0 3 376.482 1.382 40 0 GDABHN C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)N3CCOCC3)[C@H]1CCCCC(=O)N2 ZINC000257267796 206170295 /nfs/dbraw/zinc/17/02/95/206170295.db2.gz MITRSCYJLKOFET-QTEQDKRBSA-N 0 3 399.535 1.980 40 0 GDABHN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 ZINC000224316071 136206671 /nfs/dbraw/zinc/20/66/71/136206671.db2.gz ODPFUAFFQRHGCS-UHFFFAOYSA-N 0 3 379.461 1.501 40 0 GDABHN COc1cccc(CNc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c1 ZINC000329000719 570211420 /nfs/dbraw/zinc/21/14/20/570211420.db2.gz KCOIGWVYQUYGRZ-UHFFFAOYSA-N 0 3 378.480 1.977 40 0 GDABHN CN1CCC[C@H](NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751302 570215563 /nfs/dbraw/zinc/21/55/63/570215563.db2.gz FTAJTDVUJCAXDU-KRWDZBQOSA-N 0 3 386.427 1.450 40 0 GDABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCOCC1 ZINC000096243714 570223784 /nfs/dbraw/zinc/22/37/84/570223784.db2.gz XOZVRZBRRIRZQB-SFHVURJKSA-N 0 3 397.479 1.027 40 0 GDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000585271480 570238240 /nfs/dbraw/zinc/23/82/40/570238240.db2.gz FTYNDMUJFTYBSX-JOCHJYFZSA-N 0 3 397.523 1.382 40 0 GDABHN COc1cccc(N2CCC(O)(CN3CCO[C@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585282131 570250064 /nfs/dbraw/zinc/25/00/64/570250064.db2.gz AOEFIUDQELEGRJ-FQEVSTJZSA-N 0 3 391.512 1.206 40 0 GDABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cc(F)cc(F)c2)C1 ZINC000585283693 570251767 /nfs/dbraw/zinc/25/17/67/570251767.db2.gz GUUIIYOPULRUII-AZUAARDMSA-N 0 3 376.403 1.693 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@H](CO)C1 ZINC000585285238 570254406 /nfs/dbraw/zinc/25/44/06/570254406.db2.gz WRWBWJTWWYSXIR-IBGZPJMESA-N 0 3 375.513 1.099 40 0 GDABHN O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CCN(Cc4cccnc4)C3)nc2C1 ZINC000019338881 570976638 /nfs/dbraw/zinc/97/66/38/570976638.db2.gz SUBZFIPKRAEWJN-KRWDZBQOSA-N 0 3 393.491 1.839 40 0 GDABHN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019374863 570981599 /nfs/dbraw/zinc/98/15/99/570981599.db2.gz VTLJLCPWYKKEGA-WMLDXEAASA-N 0 3 391.475 1.954 40 0 GDABHN CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(CC2(O)CCOCC2)C1 ZINC000585180149 570999629 /nfs/dbraw/zinc/99/96/29/570999629.db2.gz OVUJOEGWNKNNFC-ZDUSSCGKSA-N 0 3 390.509 1.724 40 0 GDABHN COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019568211 571008847 /nfs/dbraw/zinc/00/88/47/571008847.db2.gz YYRSWODAYJMXHR-MRXNPFEDSA-N 0 3 398.463 1.882 40 0 GDABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056124 571098428 /nfs/dbraw/zinc/09/84/28/571098428.db2.gz QSDDMFSRLXQBGP-RXVVDRJESA-N 0 3 382.512 1.622 40 0 GDABHN CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1cccs1)N2C ZINC000035442463 204220296 /nfs/dbraw/zinc/22/02/96/204220296.db2.gz JJHKWOGNPUSWDO-LESCRADOSA-N 0 3 378.542 1.426 40 0 biogenic,in-vitro GDABHN CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000045748165 205097027 /nfs/dbraw/zinc/09/70/27/205097027.db2.gz IHVYPXBVOFHJDA-UHFFFAOYSA-N 0 3 393.553 1.960 40 0 GDABHN CC[C@H]1CCCCN1CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000072397284 205344428 /nfs/dbraw/zinc/34/44/28/205344428.db2.gz DIRITEQKSBYVHE-HKUYNNGSSA-N 0 3 399.539 1.962 40 0 GDABHN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1 ZINC000225086532 206035642 /nfs/dbraw/zinc/03/56/42/206035642.db2.gz JAHMKXAFRFAQFS-UHFFFAOYSA-N 0 3 379.482 1.494 40 0 GDABHN Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 ZINC000257250414 206165518 /nfs/dbraw/zinc/16/55/18/206165518.db2.gz JMKLULNEDITAON-YSHGAJCASA-N 0 3 388.443 1.334 40 0 GDABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 ZINC000257338335 206180871 /nfs/dbraw/zinc/18/08/71/206180871.db2.gz YWXZMUZMVTZVSP-FQEVSTJZSA-N 0 3 388.468 1.613 40 0 GDABHN CN1CCC2(CCCN(C(=O)c3ccsc3)[C@H]2CNS(C)(=O)=O)CC1 ZINC000306138771 206205707 /nfs/dbraw/zinc/20/57/07/206205707.db2.gz SGVDWDKIYRKONO-HNNXBMFYSA-N 0 3 385.555 1.614 40 0 GDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3ccco3)C1)C2 ZINC000306139810 206206077 /nfs/dbraw/zinc/20/60/77/206206077.db2.gz UBJITNWPINKIOZ-OAQYLSRUSA-N 0 3 396.422 1.634 40 0 GDABHN Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@@]3(COCCN(C(C)C)C3)O2)c1 ZINC000306130223 206199757 /nfs/dbraw/zinc/19/97/57/206199757.db2.gz IZKVDZSSLUJNGR-PKOBYXMFSA-N 0 3 382.526 1.932 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CCN(Cc3ccco3)C[C@H]21 ZINC000306131456 206200780 /nfs/dbraw/zinc/20/07/80/206200780.db2.gz KEYILSCNPSFKDZ-WMZOPIPTSA-N 0 3 378.432 1.666 40 0 GDABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306133303 206201345 /nfs/dbraw/zinc/20/13/45/206201345.db2.gz MHXKAZGMKDXGHL-LSDHHAIUSA-N 0 3 395.463 1.593 40 0 GDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306134948 206203240 /nfs/dbraw/zinc/20/32/40/206203240.db2.gz OCDNXFLDVUEVAH-LSDHHAIUSA-N 0 3 383.452 1.449 40 0 GDABHN CN(C)c1cnnc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000224309725 136206667 /nfs/dbraw/zinc/20/66/67/136206667.db2.gz FLAVACZYRJKMDT-UHFFFAOYSA-N 0 3 375.860 1.924 40 0 GDABHN CCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224314610 136206751 /nfs/dbraw/zinc/20/67/51/136206751.db2.gz ZBGMQNWRFZTJKB-UHFFFAOYSA-N 0 3 375.498 1.616 40 0 GDABHN CN1CCCC[C@@H]1CNC(=O)c1cccn(CC(=O)NCc2ccccc2)c1=O ZINC000019750201 570215541 /nfs/dbraw/zinc/21/55/41/570215541.db2.gz HLZASFRDGJEPBY-GOSISDBHSA-N 0 3 396.491 1.379 40 0 GDABHN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000019818033 570222024 /nfs/dbraw/zinc/22/20/24/570222024.db2.gz BAOGJRLPPPZHLY-OALUTQOASA-N 0 3 392.459 1.825 40 0 GDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801607 570281359 /nfs/dbraw/zinc/28/13/59/570281359.db2.gz HYNYRLSWKVYECI-JKSUJKDBSA-N 0 3 392.887 1.684 40 0 GDABHN COc1cc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OCCO ZINC000257319764 570487378 /nfs/dbraw/zinc/48/73/78/570487378.db2.gz VTZDLDWYZDLUDK-HOTGVXAUSA-N 0 3 386.439 1.343 40 0 GDABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514289543 570492802 /nfs/dbraw/zinc/49/28/02/570492802.db2.gz NVDOZGNQRGMGPA-FGZHOGPDSA-N 0 3 378.520 1.630 40 0 biogenic,in-vitro GDABHN CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CC(=O)N(C)C)CC2)nn1C ZINC000257246851 570894219 /nfs/dbraw/zinc/89/42/19/570894219.db2.gz IWCIHLPCKWBXRZ-QAQDUYKDSA-N 0 3 377.533 1.692 40 0 GDABHN COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019235906 570966077 /nfs/dbraw/zinc/96/60/77/570966077.db2.gz ZFYHEMQHFZDBOR-MRXNPFEDSA-N 0 3 384.480 1.913 40 0 GDABHN COc1c(C)cccc1C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019235906 570966080 /nfs/dbraw/zinc/96/60/80/570966080.db2.gz ZFYHEMQHFZDBOR-MRXNPFEDSA-N 0 3 384.480 1.913 40 0 GDABHN CCN1C[C@@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1=O ZINC000019526853 570997661 /nfs/dbraw/zinc/99/76/61/570997661.db2.gz DUZDSMPUWPHXOV-HOTGVXAUSA-N 0 3 398.511 1.177 40 0 GDABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccnn3C)c2)CC1 ZINC000019698326 571030901 /nfs/dbraw/zinc/03/09/01/571030901.db2.gz ZRKIFGGLOVXVGG-IBGZPJMESA-N 0 3 396.495 1.769 40 0 GDABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)c1c(C)cc(C)n(C)c1=O)C2 ZINC000019707505 571032726 /nfs/dbraw/zinc/03/27/26/571032726.db2.gz LLLBFCORIGCYRQ-HNNXBMFYSA-N 0 3 396.495 1.457 40 0 GDABHN O=C(CN1CCc2ccccc2C1)N1CCC[C@H](c2nnc3n2CCNCC3)C1 ZINC000019709207 571033750 /nfs/dbraw/zinc/03/37/50/571033750.db2.gz OFRNJGAZNJTUDG-IBGZPJMESA-N 0 3 394.523 1.188 40 0 GDABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N3CCOCC3)nn2)c1 ZINC000008254312 291111847 /nfs/dbraw/zinc/11/18/47/291111847.db2.gz XYFGCNBBVHVKDS-IPELMVKDSA-N 0 3 396.495 1.097 40 0 biogenic,in-vitro GDABHN CN1CCN(c2nccc(CN[C@@H]3CCC(=O)N[C@H]3c3cccc(F)c3)n2)CC1 ZINC000012182280 204378073 /nfs/dbraw/zinc/37/80/73/204378073.db2.gz ODYJGRRSWCAFPO-QUCCMNQESA-N 0 3 398.486 1.477 40 0 GDABHN COc1ccc2c(c1)c(CN1CCC[C@@H](CN3CCCC3=O)C1)cn2CC(N)=O ZINC000012222655 204385403 /nfs/dbraw/zinc/38/54/03/204385403.db2.gz YVWBNNMWOAMUJU-MRXNPFEDSA-N 0 3 398.507 1.970 40 0 GDABHN Cc1ccc([C@]2(O)CCN(C(=O)C3CN(C(=O)C4CCN(C)CC4)C3)C2)cc1 ZINC000019719842 204677948 /nfs/dbraw/zinc/67/79/48/204677948.db2.gz OJIPOEMRXQYKNH-QFIPXVFZSA-N 0 3 385.508 1.215 40 0 GDABHN 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GDABHN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)cc1C ZINC000019710629 571034524 /nfs/dbraw/zinc/03/45/24/571034524.db2.gz VIZGVSOXUZVMMO-HNNXBMFYSA-N 0 3 391.497 1.267 40 0 GDABHN CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccc(OC)cc1)CC2 ZINC000019711613 571035613 /nfs/dbraw/zinc/03/56/13/571035613.db2.gz JZBLMSIFUACGEQ-GOSISDBHSA-N 0 3 396.495 1.948 40 0 GDABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000003838650 120180557 /nfs/dbraw/zinc/18/05/57/120180557.db2.gz PSCKCGARBIOHPE-HQRMLTQVSA-N 0 3 399.495 1.330 40 0 biogenic,in-vitro GDABHN O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1)N1CCOCC1 ZINC000008298089 291111895 /nfs/dbraw/zinc/11/18/95/291111895.db2.gz NJHMEQHFXBUEFP-QRVBRYPASA-N 0 3 381.480 1.514 40 0 biogenic,in-vitro GDABHN C[C@@H](C(=O)NCCN(C)C)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000012086366 204370775 /nfs/dbraw/zinc/37/07/75/204370775.db2.gz XYIKCOMDRBXDRK-BTYIYWSLSA-N 0 3 387.480 1.469 40 0 GDABHN 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ZINC000306133309 206200928 /nfs/dbraw/zinc/20/09/28/206200928.db2.gz MHYOYFJRGZNZRW-WIYYLYMNSA-N 0 3 398.511 1.501 40 0 GDABHN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 ZINC000224314034 136206633 /nfs/dbraw/zinc/20/66/33/136206633.db2.gz WEJJIQWISIOFAE-UHFFFAOYSA-N 0 3 375.498 1.670 40 0 GDABHN CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccccn2)C1 ZINC000003841945 560190300 /nfs/dbraw/zinc/19/03/00/560190300.db2.gz WQQHZYQWHKOVLY-JKSUJKDBSA-N 0 3 381.480 1.363 40 0 biogenic,in-vitro GDABHN CN1CCC(C(=O)N2CC(C(=O)NCc3ccccc3N3CCCC3)C2)CC1 ZINC000019747518 570213928 /nfs/dbraw/zinc/21/39/28/570213928.db2.gz JKTIUGJCDOUFLF-UHFFFAOYSA-N 0 3 384.524 1.703 40 0 GDABHN O=C(COc1ccccc1F)N1CC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000019748004 570214306 /nfs/dbraw/zinc/21/43/06/570214306.db2.gz AYQAQODVUJRMLW-INIZCTEOSA-N 0 3 377.460 1.655 40 0 GDABHN COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000019818031 570221920 /nfs/dbraw/zinc/22/19/20/570221920.db2.gz BAOGJRLPPPZHLY-RBUKOAKNSA-N 0 3 392.459 1.825 40 0 GDABHN Cc1cccc(N2CCC(O)(CN3CCO[C@@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585285542 570254955 /nfs/dbraw/zinc/25/49/55/570254955.db2.gz ZMJCCOLUNDUNAH-HXUWFJFHSA-N 0 3 375.513 1.505 40 0 GDABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287893 570258996 /nfs/dbraw/zinc/25/89/96/570258996.db2.gz UQSHTXXZZILIQY-FQEVSTJZSA-N 0 3 396.459 1.889 40 0 GDABHN CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CC(=O)N(C)C)CC2)nn1C ZINC000100687653 570274673 /nfs/dbraw/zinc/27/46/73/570274673.db2.gz IWCIHLPCKWBXRZ-CALCHBBNSA-N 0 3 377.533 1.692 40 0 GDABHN CN1CCC(CN2CC[C@@]3(CCCN(C(=O)[C@@H]4[C@@H]5COC[C@@H]54)C3)C2=O)CC1 ZINC000585101016 570928517 /nfs/dbraw/zinc/92/85/17/570928517.db2.gz VQNVGXYQESQEOL-BMQTXXJKSA-N 0 3 375.513 1.062 40 0 GDABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103701 570929128 /nfs/dbraw/zinc/92/91/28/570929128.db2.gz IMJMRRACUZVVJM-ICSRJNTNSA-N 0 3 388.508 1.838 40 0 GDABHN CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccn1)CC3 ZINC000585110112 570938998 /nfs/dbraw/zinc/93/89/98/570938998.db2.gz JTJSAHFNPQDOIG-MRXNPFEDSA-N 0 3 381.480 1.205 40 0 GDABHN O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019345640 570977675 /nfs/dbraw/zinc/97/76/75/570977675.db2.gz DRXZNRZPLHFYNV-KRWDZBQOSA-N 0 3 380.448 1.800 40 0 GDABHN Cc1nccn1-c1ccc(CN2CCC(C(N)=O)(N3CCOCC3)CC2)cc1 ZINC000019659165 571025138 /nfs/dbraw/zinc/02/51/38/571025138.db2.gz MFAVMCPPUPGZLJ-UHFFFAOYSA-N 0 3 383.496 1.333 40 0 GDABHN CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 ZINC000019699840 571031017 /nfs/dbraw/zinc/03/10/17/571031017.db2.gz CAKRYROGTVZSOR-MRXNPFEDSA-N 0 3 378.517 1.818 40 0 GDABHN C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113967303 530891877 /nfs/dbraw/zinc/89/18/77/530891877.db2.gz VQYYRUAAQINALP-LLVKDONJSA-N 0 3 375.441 1.330 40 0 GDABHN C[C@H](C(=O)NCCN(C)C)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000012086367 204370597 /nfs/dbraw/zinc/37/05/97/204370597.db2.gz XYIKCOMDRBXDRK-QVKFZJNVSA-N 0 3 387.480 1.469 40 0 GDABHN CCc1nn(CC(=O)NC[C@@H]2CCCN2CC)c(=O)c2cc3ccsc3n21 ZINC000012144587 204375465 /nfs/dbraw/zinc/37/54/65/204375465.db2.gz GXMVAQBFOVULIZ-AWEZNQCLSA-N 0 3 387.509 1.874 40 0 GDABHN COc1ccc(CN(C)CC(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)cc1 ZINC000072374057 205337750 /nfs/dbraw/zinc/33/77/50/205337750.db2.gz FSSICUZIPQWJOJ-GOSISDBHSA-N 0 3 398.511 1.576 40 0 GDABHN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC1CCN(C)CC1 ZINC000225719310 206069472 /nfs/dbraw/zinc/06/94/72/206069472.db2.gz VZURPTKZJXMFIF-UHFFFAOYSA-N 0 3 383.514 1.089 40 0 GDABHN CNC(=O)c1sc2nccnc2c1[C@H]1CCN(CC2(O)CCOCC2)C1 ZINC000257205761 206158593 /nfs/dbraw/zinc/15/85/93/206158593.db2.gz BAMBMLJJFBPGKY-LBPRGKRZSA-N 0 3 376.482 1.382 40 0 GDABHN CCc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257240725 206165015 /nfs/dbraw/zinc/16/50/15/206165015.db2.gz HUWMHCQJHBRFCW-PMACEKPBSA-N 0 3 399.539 1.198 40 0 GDABHN CCn1cc(NC(=O)CN2CCNC[C@@H]2c2cccc(C(=O)NC)c2)c(C)n1 ZINC000257240246 206165140 /nfs/dbraw/zinc/16/51/40/206165140.db2.gz HSSIKSYECKOXGZ-GOSISDBHSA-N 0 3 384.484 1.156 40 0 GDABHN Cc1[nH]ncc1CN1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257318235 206178852 /nfs/dbraw/zinc/17/88/52/206178852.db2.gz VNAXHFNDUFFUNF-GOSISDBHSA-N 0 3 378.860 1.897 40 0 GDABHN COCCN1CC[C@@H](NCC2CC2)[C@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141957 206207864 /nfs/dbraw/zinc/20/78/64/206207864.db2.gz WLIHXIYYHYOGSH-QUCCMNQESA-N 0 3 378.517 1.281 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cccnc4)C[C@@H]32)cc1 ZINC000306123740 206197641 /nfs/dbraw/zinc/19/76/41/206197641.db2.gz AVCSKQHIGXZHDQ-RBUKOAKNSA-N 0 3 389.459 1.386 40 0 GDABHN Cc1cnc(N2CC[C@H](NCC3CC3)[C@]3(CC(C(=O)N4CCCC4)=NO3)C2)nc1 ZINC000306133308 206201088 /nfs/dbraw/zinc/20/10/88/206201088.db2.gz MHYOYFJRGZNZRW-RXVVDRJESA-N 0 3 398.511 1.501 40 0 GDABHN COC(=O)c1ccc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)cc1OC ZINC000329010271 570212097 /nfs/dbraw/zinc/21/20/97/570212097.db2.gz MAKJHMXQNPTXHF-UHFFFAOYSA-N 0 3 385.468 1.710 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281734 570248124 /nfs/dbraw/zinc/24/81/24/570248124.db2.gz QKZFDRGJHIVUDQ-OAQYLSRUSA-N 0 3 376.497 1.838 40 0 GDABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCCOc2ccccc2)[C@@H](O)C1 ZINC000585285196 570254184 /nfs/dbraw/zinc/25/41/84/570254184.db2.gz PAFCEEPJZCJADQ-GMAHTHKFSA-N 0 3 398.503 1.612 40 0 GDABHN Cc1ccccc1N1CCC(O)(CN2CCO[C@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285533 570254838 /nfs/dbraw/zinc/25/48/38/570254838.db2.gz ZEOIHKPYOSEFKB-FQEVSTJZSA-N 0 3 375.513 1.505 40 0 GDABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585290196 570258175 /nfs/dbraw/zinc/25/81/75/570258175.db2.gz OISQDDJLRREFTH-FPOVZHCZSA-N 0 3 388.895 1.997 40 0 GDABHN Cc1cccnc1CN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108530668 570313025 /nfs/dbraw/zinc/31/30/25/570313025.db2.gz GQTSZKWQNOYFDL-INIZCTEOSA-N 0 3 379.526 1.985 40 0 GDABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382331 570353567 /nfs/dbraw/zinc/35/35/67/570353567.db2.gz OJHURRWIPPBVAL-HNBVOPMISA-N 0 3 389.471 1.495 40 0 biogenic,in-vitro GDABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1N1C(=O)CCC1=O ZINC000223213095 570450242 /nfs/dbraw/zinc/45/02/42/570450242.db2.gz STDJHCDGRWMEFU-UHFFFAOYSA-N 0 3 395.481 1.113 40 0 GDABHN CCN1CCN(CCNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000019528200 570928737 /nfs/dbraw/zinc/92/87/37/570928737.db2.gz LAYIBKVFJGFZCP-XKPYVIEYSA-N 0 3 397.519 1.800 40 0 GDABHN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)CN4CCCCCC4)C3)ncc2C1 ZINC000019018685 570954791 /nfs/dbraw/zinc/95/47/91/570954791.db2.gz ZWBDJOVBRBXHDX-KRWDZBQOSA-N 0 3 385.512 1.573 40 0 GDABHN CC[C@H]1CCCCN1CC(=O)N1CCc2nc([C@@H]3CCN(C(C)=O)C3)ncc2C1 ZINC000019500956 570992445 /nfs/dbraw/zinc/99/24/45/570992445.db2.gz BCZVTPAGEGVMRN-MJGOQNOKSA-N 0 3 399.539 1.962 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCNCC4)C2)cc1F ZINC000019709204 571033550 /nfs/dbraw/zinc/03/35/50/571033550.db2.gz DRUMAYUVQFBFPU-CQSZACIVSA-N 0 3 393.488 1.440 40 0 GDABHN COc1cccc(S(=O)(=O)N2CCC(c3nnc4n3CCNCC4)CC2)c1 ZINC000019709514 571034003 /nfs/dbraw/zinc/03/40/03/571034003.db2.gz NFLCRVXQUKZPEM-UHFFFAOYSA-N 0 3 391.497 1.001 40 0 GDABHN COc1ccc(CN(C)CC(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)cc1 ZINC000019710758 571034682 /nfs/dbraw/zinc/03/46/82/571034682.db2.gz XWQRLDGRCYSRLR-SFHVURJKSA-N 0 3 398.511 1.228 40 0 GDABHN COCC(=O)N1CCC2(C[C@@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096052909 571097681 /nfs/dbraw/zinc/09/76/81/571097681.db2.gz IZWWBHTZMWMKMK-QGZVFWFLSA-N 0 3 387.524 1.748 40 0 GDABHN CC(C)[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000001552231 530532257 /nfs/dbraw/zinc/53/22/57/530532257.db2.gz GLIRXHQYWRYQDV-UHFFFAOYSA-N 0 3 377.532 1.455 40 0 in-man GDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Br)cc1 ZINC000252515830 531091079 /nfs/dbraw/zinc/09/10/79/531091079.db2.gz NXLHIPYJIKYSSQ-UMVBOHGHSA-N 0 3 390.299 1.858 40 0 GDABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111525 204330630 /nfs/dbraw/zinc/33/06/30/204330630.db2.gz UVUCBSYBNRIXQD-UHFFFAOYSA-N 0 3 391.493 1.568 40 0 GDABHN Cc1nc(N)ncc1C(=O)N1CCC([C@@H]2CCCCN2CC(=O)N(C)C)CC1 ZINC000019746443 204680512 /nfs/dbraw/zinc/68/05/12/204680512.db2.gz IHMQGNGHICWNGQ-KRWDZBQOSA-N 0 3 388.516 1.162 40 0 GDABHN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)CN4CCCC[C@H]4C)C3)ncc2C1 ZINC000072397279 205344577 /nfs/dbraw/zinc/34/45/77/205344577.db2.gz RYKMJLKUDQPLIN-WBVHZDCISA-N 0 3 385.512 1.572 40 0 GDABHN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1)c1cccnc1 ZINC000257276026 206171390 /nfs/dbraw/zinc/17/13/90/206171390.db2.gz NSBJKIYGDWKLFC-ZRNYENFQSA-N 0 3 385.439 1.996 40 0 GDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccn3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257225095 206162914 /nfs/dbraw/zinc/16/29/14/206162914.db2.gz FEUGNQUFEFHLPC-CGXNFDGLSA-N 0 3 397.475 1.865 40 0 GDABHN CC(=O)N[C@@H]1CN(C(C)=O)C2(C1)CCN(Cc1ccc3nccnc3c1)CC2 ZINC000257238961 206165086 /nfs/dbraw/zinc/16/50/86/206165086.db2.gz HNGOJCLJOUFSAD-SFHVURJKSA-N 0 3 381.480 1.721 40 0 GDABHN CN(C)c1cc(N2CCC[C@](C)(C(=O)N(C)CC3CCN(C)CC3)C2)ncn1 ZINC000257247623 206166088 /nfs/dbraw/zinc/16/60/88/206166088.db2.gz IZUZNZOIHMPMAN-NRFANRHFSA-N 0 3 388.560 1.949 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1cccc(OC)c1 ZINC000257257993 206167278 /nfs/dbraw/zinc/16/72/78/206167278.db2.gz KRYRAGOYVSAKQE-MJGOQNOKSA-N 0 3 377.485 1.299 40 0 GDABHN CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@]12CCN(Cc1ccsc1)C2 ZINC000306126395 206196706 /nfs/dbraw/zinc/19/67/06/206196706.db2.gz DUMCFBBHJSKWDF-LJQANCHMSA-N 0 3 386.525 1.712 40 0 GDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 ZINC000306135256 206202390 /nfs/dbraw/zinc/20/23/90/206202390.db2.gz OLXNBOPGHUAHRR-UHFFFAOYSA-N 0 3 384.484 1.278 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC000306134697 206202672 /nfs/dbraw/zinc/20/26/72/206202672.db2.gz NVMDDZNVWYIOFW-QZTJIDSGSA-N 0 3 391.479 1.246 40 0 GDABHN CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NCc2ccco2)CC1 ZINC000022926982 560091983 /nfs/dbraw/zinc/09/19/83/560091983.db2.gz NBPKQHSKGWUEBQ-OKZBNKHCSA-N 0 3 391.585 1.202 40 0 biogenic,in-vitro GDABHN COc1ccccc1S(=O)(=O)N1CCn2c(nnc2[C@H]2CCCN(C)C2)C1 ZINC000019752301 570216015 /nfs/dbraw/zinc/21/60/15/570216015.db2.gz CFJAQFNWJYHLQO-AWEZNQCLSA-N 0 3 391.497 1.300 40 0 GDABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585283595 570251627 /nfs/dbraw/zinc/25/16/27/570251627.db2.gz SCUTYRSRVLBVJE-FQEVSTJZSA-N 0 3 396.459 1.889 40 0 GDABHN CN(C)C(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585283837 570251757 /nfs/dbraw/zinc/25/17/57/570251757.db2.gz PBRBOMZKIFZUPD-LJQANCHMSA-N 0 3 379.476 1.336 40 0 GDABHN COc1cccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)c1 ZINC000585286173 570255689 /nfs/dbraw/zinc/25/56/89/570255689.db2.gz WMSRQRNFDFMRFF-UNMCSNQZSA-N 0 3 384.476 1.352 40 0 GDABHN Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN1C(=O)N1CCOCC1 ZINC000005001565 570651876 /nfs/dbraw/zinc/65/18/76/570651876.db2.gz HMXUFDMWUUIOPG-HNNXBMFYSA-N 0 3 394.545 1.592 40 0 GDABHN CN(C)CCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000013648895 570766945 /nfs/dbraw/zinc/76/69/45/570766945.db2.gz QNVDWUNPAOMINI-UHFFFAOYSA-N 0 3 375.494 1.944 40 0 GDABHN CN(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000013671222 570770870 /nfs/dbraw/zinc/77/08/70/570770870.db2.gz MZADAHABNOFSOL-UHFFFAOYSA-N 0 3 379.457 1.699 40 0 GDABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cn1 ZINC000585100744 570925237 /nfs/dbraw/zinc/92/52/37/570925237.db2.gz VEUDGINAYHQKFV-NRFANRHFSA-N 0 3 387.528 1.873 40 0 GDABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1ncn(C)n1)CC2 ZINC000585103509 570932250 /nfs/dbraw/zinc/93/22/50/570932250.db2.gz HJZRIOZRHUVBBM-KRWDZBQOSA-N 0 3 384.484 1.353 40 0 GDABHN O=S(=O)(c1ccccn1)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104596 570933578 /nfs/dbraw/zinc/93/35/78/570933578.db2.gz RAKZDZXPJFJJPL-KRWDZBQOSA-N 0 3 395.525 1.098 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)cc1 ZINC000019711099 571035270 /nfs/dbraw/zinc/03/52/70/571035270.db2.gz JWNZXYBJEGTGCH-AWEZNQCLSA-N 0 3 391.497 1.300 40 0 GDABHN C[C@H](C(=O)NC(C)(C)CN1CCCCC1)N1C(=O)c2ccccc2S1(=O)=O ZINC000019717703 571040647 /nfs/dbraw/zinc/04/06/47/571040647.db2.gz NLDRGJUDDRZCAN-CQSZACIVSA-N 0 3 393.509 1.600 40 0 GDABHN CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096036781 571096412 /nfs/dbraw/zinc/09/64/12/571096412.db2.gz HGSFZNZALQNDDA-SFHVURJKSA-N 0 3 383.496 1.940 40 0 GDABHN COc1ccc(-c2cnc3n2CCNC32CCN(C(=O)CN(C)C)CC2)cc1 ZINC000096062638 571098655 /nfs/dbraw/zinc/09/86/55/571098655.db2.gz KQIQSENKUBZINX-UHFFFAOYSA-N 0 3 383.496 1.541 40 0 GDABHN NC[C@@]1(N)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180564 531027889 /nfs/dbraw/zinc/02/78/89/531027889.db2.gz GTACBAKTANSLKN-YESZJQIVSA-N 0 3 380.853 1.665 40 0 GDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242495926 531055645 /nfs/dbraw/zinc/05/56/45/531055645.db2.gz GTACBAKTANSLKN-ZACQAIPSSA-N 0 3 380.853 1.665 40 0 GDABHN C[C@@]1(N(CCN)S(=O)(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000575423794 532013993 /nfs/dbraw/zinc/01/39/93/532013993.db2.gz RGIGWPVXBXZMGA-QGZVFWFLSA-N 0 3 382.507 1.366 40 0 GDABHN Cc1cc(C)c2cc(CNCCCN3CCOCC3)c3nn(C)c(=O)n3c2c1 ZINC000012325216 204396908 /nfs/dbraw/zinc/39/69/08/204396908.db2.gz FMWXBJOGPPXGLC-UHFFFAOYSA-N 0 3 383.496 1.615 40 0 GDABHN COc1c(C)cccc1C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391674 205341456 /nfs/dbraw/zinc/34/14/56/205341456.db2.gz AEKZMDWQOACGAD-OAHLLOKOSA-N 0 3 394.479 1.992 40 0 GDABHN COC1CCC(C(=O)NCCn2nc([C@H]3CCN(C)C3)c3nccnc32)CC1 ZINC000072391660 205342126 /nfs/dbraw/zinc/34/21/26/205342126.db2.gz MGIICHPNRCRYEB-PCKAHOCUSA-N 0 3 386.500 1.567 40 0 GDABHN C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225088331 206035788 /nfs/dbraw/zinc/03/57/88/206035788.db2.gz VTRPQUCVZIMZKB-HUUCEWRRSA-N 0 3 393.509 1.596 40 0 GDABHN 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CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 ZINC000585269687 570238565 /nfs/dbraw/zinc/23/85/65/570238565.db2.gz HVEDGFSSDYKHAP-FQEVSTJZSA-N 0 3 379.476 1.136 40 0 GDABHN Cc1cccc(CNC[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)c1C ZINC000585283767 570251898 /nfs/dbraw/zinc/25/18/98/570251898.db2.gz HFZJOIAOYOIBRZ-JTHBVZDNSA-N 0 3 382.504 1.960 40 0 GDABHN CC(=O)N1CCC(N2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585284090 570252144 /nfs/dbraw/zinc/25/21/44/570252144.db2.gz UWDZWXSUEVNLLJ-LJQANCHMSA-N 0 3 384.423 1.418 40 0 GDABHN CNc1cc(N2CC[C@@](O)(CN(C)Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257204242 570487294 /nfs/dbraw/zinc/48/72/94/570487294.db2.gz ATRSITYNALHSEQ-HXUWFJFHSA-N 0 3 389.475 1.940 40 0 GDABHN CNc1cc(CN(C)S(=O)(=O)c2c(C)noc2C)nc([C@@H]2CCCN2)n1 ZINC000019759944 570887782 /nfs/dbraw/zinc/88/77/82/570887782.db2.gz KFYMEAOBMNVUQC-ZDUSSCGKSA-N 0 3 380.474 1.368 40 0 GDABHN CN1CCC(CN2CC[C@@]3(CCCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C3)C2=O)CC1 ZINC000585101018 570928585 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ZINC000019583299 207140037 /nfs/dbraw/zinc/14/00/37/207140037.db2.gz LULGAUPPWCUWCR-OAHLLOKOSA-N 0 3 392.529 1.123 40 0 GDABHN CN(C)c1ncccc1C[N@@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019584145 207140053 /nfs/dbraw/zinc/14/00/53/207140053.db2.gz PBEYMXCRWYPLEW-UHFFFAOYSA-N 0 3 384.484 1.081 40 0 GDABHN CN(C)c1ncccc1C[N@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019584145 207140057 /nfs/dbraw/zinc/14/00/57/207140057.db2.gz PBEYMXCRWYPLEW-UHFFFAOYSA-N 0 3 384.484 1.081 40 0 GDABHN CN1C(=O)NC2(CCN(C(=O)CN3CCC(Cc4ccccc4)CC3)CC2)C1=O ZINC000019660676 207146513 /nfs/dbraw/zinc/14/65/13/207146513.db2.gz IEJHMMPPANLGNL-UHFFFAOYSA-N 0 3 398.507 1.484 40 0 GDABHN O=C(c1cc(CC2(NC3CCC(CO)CC3)COC2)no1)N1CCCCC1 ZINC000067898524 207199284 /nfs/dbraw/zinc/19/92/84/207199284.db2.gz ANVNWYRVRCIRHY-UHFFFAOYSA-N 0 3 377.485 1.753 40 0 biogenic,in-vitro GDABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)CCc2cccnc2)C3)CC1 ZINC000096228448 208290061 /nfs/dbraw/zinc/29/00/61/208290061.db2.gz 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Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306128621 209099178 /nfs/dbraw/zinc/09/91/78/209099178.db2.gz HGFQTYSPSDPNDI-JKSUJKDBSA-N 0 3 377.452 1.568 40 0 GDABHN CN1C(=O)C2(CCN(C(=O)CN3CCCC3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257249444 209059598 /nfs/dbraw/zinc/05/95/98/209059598.db2.gz JIJXQBOZFWLQFG-QUCCMNQESA-N 0 3 385.508 1.655 40 0 GDABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)[C@H]1O ZINC000257273321 209063685 /nfs/dbraw/zinc/06/36/85/209063685.db2.gz NGCNXXIEYCXIIN-NJDAHSKKSA-N 0 3 397.523 1.828 40 0 GDABHN Cc1nc(C)c(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@@H]2C[NH2+]CC[C@@H]3O)c(=O)[n-]1 ZINC000257277787 209066852 /nfs/dbraw/zinc/06/68/52/209066852.db2.gz NZJIUTMYMZKJKN-XODKDNOYSA-N 0 3 396.491 1.307 40 0 GDABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342630 222231313 /nfs/dbraw/zinc/23/13/13/222231313.db2.gz NWGPNRVUYIBRGW-WUVXFVIISA-N 0 3 397.523 1.972 40 0 GDABHN CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCN(C(C)C)CC3)cc21 ZINC000072345800 222232928 /nfs/dbraw/zinc/23/29/28/222232928.db2.gz NBWBDELTDOCURC-IBGZPJMESA-N 0 3 379.526 1.961 40 0 GDABHN O=C(CCn1ncc2c1CCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390820 222247511 /nfs/dbraw/zinc/24/75/11/222247511.db2.gz IDDWLDQYBJAFEB-SFHVURJKSA-N 0 3 380.496 1.951 40 0 GDABHN COc1cccc(CC(=O)NCCn2nc([C@@H]3CCN(C)C3)c3nccnc32)c1 ZINC000072391647 222249169 /nfs/dbraw/zinc/24/91/69/222249169.db2.gz SCQMNLQFUQGMFN-MRXNPFEDSA-N 0 3 394.479 1.613 40 0 GDABHN CC(C)N1CCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585285098 570254378 /nfs/dbraw/zinc/25/43/78/570254378.db2.gz NXPOFUVIZSVLGV-ICSRJNTNSA-N 0 3 395.931 1.304 40 0 GDABHN O[C@]1(CN2CCOCC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257317561 570487264 /nfs/dbraw/zinc/48/72/64/570487264.db2.gz VKGNQTXYRLDYRQ-QFIPXVFZSA-N 0 3 383.492 1.930 40 0 GDABHN Cc1ccc2c(c1)CN(C(=O)Cn1nc(C)ccc1=O)CC1(CCN(C)CC1)O2 ZINC000012365224 570646550 /nfs/dbraw/zinc/64/65/50/570646550.db2.gz GROQQSDZJVVELE-UHFFFAOYSA-N 0 3 396.491 1.746 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN(C)C ZINC000013647207 570766595 /nfs/dbraw/zinc/76/65/95/570766595.db2.gz MAHUJZAZYGNIJC-UHFFFAOYSA-N 0 3 383.514 1.407 40 0 GDABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)s1 ZINC000585104228 570932885 /nfs/dbraw/zinc/93/28/85/570932885.db2.gz NTHQCCFFMLEYKB-HOTGVXAUSA-N 0 3 379.526 1.838 40 0 GDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585105110 570934560 /nfs/dbraw/zinc/93/45/60/570934560.db2.gz YKESIKJERUBPTI-VQTJNVASSA-N 0 3 388.508 1.789 40 0 GDABHN CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1cccc(F)c1)CC3 ZINC000585110183 570939039 /nfs/dbraw/zinc/93/90/39/570939039.db2.gz SRIRXLIKFVWOGJ-QGZVFWFLSA-N 0 3 398.482 1.949 40 0 GDABHN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@H](C)N4CCCCC4)C3)ncc2C1 ZINC000019077745 207100970 /nfs/dbraw/zinc/10/09/70/207100970.db2.gz XUKVXXXFOYUFQY-RDJZCZTQSA-N 0 3 385.512 1.572 40 0 GDABHN COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709363 207149685 /nfs/dbraw/zinc/14/96/85/207149685.db2.gz IQUFFLOPTUSIOM-CQSZACIVSA-N 0 3 391.497 1.001 40 0 GDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)COc2ccc(F)cc2)CC3)C1 ZINC000019709280 207150521 /nfs/dbraw/zinc/15/05/21/207150521.db2.gz MYTHHVKIMZNNNC-HNNXBMFYSA-N 0 3 387.459 1.690 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccccn4)C[C@@H]32)cc1 ZINC000306136710 209103610 /nfs/dbraw/zinc/10/36/10/209103610.db2.gz QAVGTZUUWDIAJZ-PKOBYXMFSA-N 0 3 389.459 1.386 40 0 GDABHN CN1c2nn(CC3CCC3)c(=O)c(=O)n2CC12CCN(Cc1ccncc1)CC2 ZINC000306132726 209101368 /nfs/dbraw/zinc/10/13/68/209101368.db2.gz LQLUQUANNXUIDE-UHFFFAOYSA-N 0 3 396.495 1.085 40 0 GDABHN Cc1cnc(N2CC[C@@H](NCC3CC3)[C@]3(CC(C(=O)N4CCCC4)=NO3)C2)nc1 ZINC000306133307 209101326 /nfs/dbraw/zinc/10/13/26/209101326.db2.gz MHYOYFJRGZNZRW-NQIIRXRSSA-N 0 3 398.511 1.501 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306129990 209099019 /nfs/dbraw/zinc/09/90/19/209099019.db2.gz ITIDZJGWINBXOF-JOCHJYFZSA-N 0 3 389.459 1.297 40 0 GDABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585285979 570255612 /nfs/dbraw/zinc/25/56/12/570255612.db2.gz GDFFLZJXKYFDBU-FQEVSTJZSA-N 0 3 378.469 1.750 40 0 GDABHN O=C(CNCCCN1CCOCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311543 570466743 /nfs/dbraw/zinc/46/67/43/570466743.db2.gz RRKHNXRLPXEFMZ-UHFFFAOYSA-N 0 3 388.512 1.563 40 0 GDABHN CCOCCOc1ccc(CN(C)C[C@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257319452 570486870 /nfs/dbraw/zinc/48/68/70/570486870.db2.gz VSPNYGOSDODOIP-OAQYLSRUSA-N 0 3 386.496 1.965 40 0 GDABHN C[C@@H](C(=O)NCCN(C)C)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000012086368 570606301 /nfs/dbraw/zinc/60/63/01/570606301.db2.gz XYIKCOMDRBXDRK-YCRPNKLZSA-N 0 3 387.480 1.469 40 0 GDABHN CC(C)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H]3C[C@H]3C)CC1)C2=O ZINC000019699531 570895120 /nfs/dbraw/zinc/89/51/20/570895120.db2.gz ZLZKVKDUMZAAPS-ZBFHGGJFSA-N 0 3 376.501 1.428 40 0 GDABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)s1 ZINC000585104227 570933185 /nfs/dbraw/zinc/93/31/85/570933185.db2.gz NTHQCCFFMLEYKB-CVEARBPZSA-N 0 3 379.526 1.838 40 0 GDABHN CCn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000005001477 530538202 /nfs/dbraw/zinc/53/82/02/530538202.db2.gz BWLOGECNFRHKMO-CQSZACIVSA-N 0 3 387.575 1.625 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306144084 209108164 /nfs/dbraw/zinc/10/81/64/209108164.db2.gz YVRKIYUONNOGPY-JOCHJYFZSA-N 0 3 389.459 1.297 40 0 GDABHN Cn1cccc1CN1CC[C@]2(C1)COCc1cnc(NCc3cncn3C)nc12 ZINC000306140981 209106085 /nfs/dbraw/zinc/10/60/85/209106085.db2.gz VIFLLIYZGZGWJG-NRFANRHFSA-N 0 3 393.495 1.835 40 0 GDABHN COc1cccc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1F ZINC000019567166 207135772 /nfs/dbraw/zinc/13/57/72/207135772.db2.gz ORTHWIWFIHANLL-UHFFFAOYSA-N 0 3 388.443 1.355 40 0 GDABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCC3)C1)C2=O ZINC000019699920 207150407 /nfs/dbraw/zinc/15/04/07/207150407.db2.gz INWYSIWROAQPAJ-MRXNPFEDSA-N 0 3 376.501 1.572 40 0 GDABHN CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2C1 ZINC000019749469 207159636 /nfs/dbraw/zinc/15/96/36/207159636.db2.gz YNEMSMSRLLOJED-LJQANCHMSA-N 0 3 393.553 1.834 40 0 GDABHN CN(CCC(=O)N1CCC[C@H]1c1nnc2n1CCNCC2)c1cccc(F)c1 ZINC000019706393 207150539 /nfs/dbraw/zinc/15/05/39/207150539.db2.gz CBACDYGPROXRHE-KRWDZBQOSA-N 0 3 386.475 1.753 40 0 GDABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056109 208258326 /nfs/dbraw/zinc/25/83/26/208258326.db2.gz USDXJUGNJWKXOC-RXVVDRJESA-N 0 3 380.496 1.678 40 0 GDABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cnc4ccccn42)C3)CC1 ZINC000096075637 208258835 /nfs/dbraw/zinc/25/88/35/208258835.db2.gz HHUIRHMKZVWWTN-PGRDOPGGSA-N 0 3 397.523 1.593 40 0 GDABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cnc4ccccn42)C3)CC1 ZINC000096075638 208261047 /nfs/dbraw/zinc/26/10/47/208261047.db2.gz HHUIRHMKZVWWTN-XMSQKQJNSA-N 0 3 397.523 1.593 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccccn4)C[C@@H]32)cc1 ZINC000306136708 209104450 /nfs/dbraw/zinc/10/44/50/209104450.db2.gz QAVGTZUUWDIAJZ-IEBWSBKVSA-N 0 3 389.459 1.386 40 0 GDABHN CN1CCC2(CCCN(C(=O)c3ccc(F)cc3)[C@@H]2CNS(C)(=O)=O)CC1 ZINC000306131646 209101616 /nfs/dbraw/zinc/10/16/16/209101616.db2.gz KLBNFNFEUYVTJK-QGZVFWFLSA-N 0 3 397.516 1.692 40 0 GDABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@@H]2C1 ZINC000306126772 209098353 /nfs/dbraw/zinc/09/83/53/209098353.db2.gz FEZWPURUBGCFOS-GJZGRUSLSA-N 0 3 382.468 1.268 40 0 GDABHN COC[C@H]1CN(Cc2ccccn2)CC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000247883027 209025699 /nfs/dbraw/zinc/02/56/99/209025699.db2.gz QTLNUXOOEMLHHL-MRXNPFEDSA-N 0 3 379.526 1.734 40 0 GDABHN CC(C)c1nc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C)CC4)CC3)ccc2[nH]1 ZINC000257212316 209056002 /nfs/dbraw/zinc/05/60/02/209056002.db2.gz CCUPXZGPYVAAES-PMACEKPBSA-N 0 3 399.539 1.899 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1OC ZINC000257272855 209063768 /nfs/dbraw/zinc/06/37/68/209063768.db2.gz NEDHYTCSRHZTSD-APWZRJJASA-N 0 3 377.485 1.299 40 0 GDABHN CNC(=O)[C@]12CN(Cc3cccc(OC)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251113 136185740 /nfs/dbraw/zinc/18/57/40/136185740.db2.gz JSYQUXCJYNOWID-WIYYLYMNSA-N 0 3 381.480 1.702 40 0 GDABHN COc1ccc(CN2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000105982409 136191413 /nfs/dbraw/zinc/19/14/13/136191413.db2.gz KTKUKJAVLPAIID-JOCHJYFZSA-N 0 3 396.491 1.996 40 0 GDABHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000224314173 136206735 /nfs/dbraw/zinc/20/67/35/136206735.db2.gz IGISQCUSHYGLFS-UHFFFAOYSA-N 0 3 381.889 1.707 40 0 GDABHN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C1CCN(C(C)=O)CC1)C2 ZINC000225480903 560042637 /nfs/dbraw/zinc/04/26/37/560042637.db2.gz CLKLKGASLWLGQY-HKUYNNGSSA-N 0 3 387.480 1.512 40 0 biogenic,in-vitro GDABHN COc1cccc(CN[C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)c1 ZINC000077261998 560046743 /nfs/dbraw/zinc/04/67/43/560046743.db2.gz JVEYIEZUJGDAIS-UGESXGAOSA-N 0 3 399.491 1.294 40 0 biogenic,in-vitro GDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585274210 570243238 /nfs/dbraw/zinc/24/32/38/570243238.db2.gz UPRPXSICFSSELP-QHCPKHFHSA-N 0 3 396.535 1.987 40 0 GDABHN CC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284716 570254020 /nfs/dbraw/zinc/25/40/20/570254020.db2.gz ZEAGSFXYRSJJNO-OAQYLSRUSA-N 0 3 376.497 1.756 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@H](CO)C1 ZINC000585285507 570254589 /nfs/dbraw/zinc/25/45/89/570254589.db2.gz YZBNJZMQCPXDMA-IBGZPJMESA-N 0 3 375.513 1.099 40 0 GDABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585285982 570255664 /nfs/dbraw/zinc/25/56/64/570255664.db2.gz GDFFLZJXKYFDBU-HXUWFJFHSA-N 0 3 378.469 1.750 40 0 GDABHN Cc1cccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1C ZINC000585289883 570257802 /nfs/dbraw/zinc/25/78/02/570257802.db2.gz MEJDAPKLWYNFBJ-UXHICEINSA-N 0 3 390.505 1.190 40 0 GDABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514288791 570492703 /nfs/dbraw/zinc/49/27/03/570492703.db2.gz DZJPLLWGMBUKRU-FGZHOGPDSA-N 0 3 378.520 1.630 40 0 biogenic,in-vitro GDABHN CC[C@H](C(=O)NCCN1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715965 570778735 /nfs/dbraw/zinc/77/87/35/570778735.db2.gz MEFGQWLKTWNMRZ-QGZVFWFLSA-N 0 3 385.505 1.972 40 0 GDABHN COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000019593949 570929208 /nfs/dbraw/zinc/92/92/08/570929208.db2.gz RPEMSTJEXQWAGN-IAGOWNOFSA-N 0 3 376.892 1.842 40 0 GDABHN NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000575423936 532013712 /nfs/dbraw/zinc/01/37/12/532013712.db2.gz HAPLUEYWTILNKG-SECBINFHSA-N 0 3 387.310 1.130 40 0 GDABHN COCCN1CC[C@@H](NCC2CC2)[C@@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141958 209105864 /nfs/dbraw/zinc/10/58/64/209105864.db2.gz WLIHXIYYHYOGSH-UYAOXDASSA-N 0 3 378.517 1.281 40 0 GDABHN CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CN3CCCCCC3)ncc2C1 ZINC000019018506 207100291 /nfs/dbraw/zinc/10/02/91/207100291.db2.gz MNYHLJBMFFJOMV-IBGZPJMESA-N 0 3 385.512 1.921 40 0 GDABHN Cc1nn(CCC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c(C)c1C ZINC000019557129 207132693 /nfs/dbraw/zinc/13/26/93/207132693.db2.gz ZRYAVOJHLKHVFP-QGZVFWFLSA-N 0 3 382.512 1.992 40 0 GDABHN CN(CC(=O)N1CCc2nnc([C@H]3CCCN3)n2CC1)Cc1ccccc1F ZINC000019706413 207149775 /nfs/dbraw/zinc/14/97/75/207149775.db2.gz GJXHENJKRVNPBH-QGZVFWFLSA-N 0 3 386.475 1.358 40 0 GDABHN CN1CCC[C@H](c2nnc3n2CCN(S(=O)(=O)c2ccccc2Cl)C3)C1 ZINC000019711109 207151897 /nfs/dbraw/zinc/15/18/97/207151897.db2.gz NQYYLOYXOWGIPU-ZDUSSCGKSA-N 0 3 395.916 1.945 40 0 GDABHN O=S1(=O)CC[C@H](NCCn2cncc2-c2cnn(Cc3ccccc3)c2)C1 ZINC000019719340 207156182 /nfs/dbraw/zinc/15/61/82/207156182.db2.gz AWVYSDNXBWMYSY-SFHVURJKSA-N 0 3 385.493 1.572 40 0 GDABHN CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000032399063 207395335 /nfs/dbraw/zinc/39/53/35/207395335.db2.gz MIYVIXOEQPCTSY-UHFFFAOYSA-N 0 3 387.505 1.773 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306134698 209102444 /nfs/dbraw/zinc/10/24/44/209102444.db2.gz NVMDDZNVWYIOFW-ROUUACIJSA-N 0 3 391.479 1.246 40 0 GDABHN CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270110 570238889 /nfs/dbraw/zinc/23/88/89/570238889.db2.gz FIBHLLRZZHTPGX-QFIPXVFZSA-N 0 3 399.539 1.146 40 0 GDABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2cccc(Cl)c2)[C@@H](O)C1 ZINC000585283686 570251924 /nfs/dbraw/zinc/25/19/24/570251924.db2.gz GQIXOAMILXAOAA-FPOVZHCZSA-N 0 3 388.895 1.997 40 0 GDABHN Cc1cccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)c1C ZINC000585286201 570255683 /nfs/dbraw/zinc/25/56/83/570255683.db2.gz XKSKKSAHWYDKOP-GMAHTHKFSA-N 0 3 382.504 1.960 40 0 GDABHN CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@H]1NC(=O)c1ccccc1 ZINC000071782982 570575931 /nfs/dbraw/zinc/57/59/31/570575931.db2.gz QJWLTVVWSLQPON-WDPSMDGFSA-N 0 3 384.432 1.598 40 0 GDABHN CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@H]1NC(=O)c1ccccc1 ZINC000071782983 570576108 /nfs/dbraw/zinc/57/61/08/570576108.db2.gz QJWLTVVWSLQPON-TUHKJITRSA-N 0 3 384.432 1.598 40 0 GDABHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000207792763 570695520 /nfs/dbraw/zinc/69/55/20/570695520.db2.gz MKMPWKUAHLTIBJ-NUTKFTJISA-N 0 3 398.435 1.142 40 0 GDABHN O=C(N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1)c1ncc[nH]1 ZINC000257228443 570764622 /nfs/dbraw/zinc/76/46/22/570764622.db2.gz FTWCOZPXTYFHLQ-BDXSIMOUSA-N 0 3 385.468 1.360 40 0 GDABHN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1)C1CCOCC1 ZINC000257240755 570767826 /nfs/dbraw/zinc/76/78/26/570767826.db2.gz HVAZCIOUOWUXNE-ZRNYENFQSA-N 0 3 392.471 1.714 40 0 GDABHN Cc1ccc(Cl)cc1N(CCCC(=O)NCCN(C)C)S(C)(=O)=O ZINC000013646300 530559226 /nfs/dbraw/zinc/55/92/26/530559226.db2.gz HPNKIFJWGFRRMO-UHFFFAOYSA-N 0 3 375.922 1.872 40 0 GDABHN CN1CCc2nc(C3CCN(C(=O)C[C@@H]4CC(C)(C)OC4=O)CC3)ncc2C1 ZINC000019460902 207124174 /nfs/dbraw/zinc/12/41/74/207124174.db2.gz LDARXASYRHJCFZ-OAHLLOKOSA-N 0 3 386.496 1.902 40 0 GDABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)c2cccnc21 ZINC000019583238 207140064 /nfs/dbraw/zinc/14/00/64/207140064.db2.gz IBFFMPAXPYEFGE-MRXNPFEDSA-N 0 3 378.480 1.947 40 0 GDABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCC3)C1)C2=O ZINC000019699921 207150108 /nfs/dbraw/zinc/15/01/08/207150108.db2.gz INWYSIWROAQPAJ-INIZCTEOSA-N 0 3 376.501 1.572 40 0 GDABHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3)c3nonc32)CC1=O ZINC000019717618 207154278 /nfs/dbraw/zinc/15/42/78/207154278.db2.gz NOWRFLRLAMNYHW-ZDUSSCGKSA-N 0 3 386.456 1.172 40 0 GDABHN CCOC(=O)[C@H]1C[C@]23C=C[C@]1(O)[C@H]1Oc4c5c(ccc4O)C[C@H]2N(C)CC[C@]513 ZINC000096316432 208306548 /nfs/dbraw/zinc/30/65/48/208306548.db2.gz DLIVKNRHHSVJIA-XNWYMUSUSA-N 0 3 383.444 1.522 40 0 biogenic,in-vitro GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306135029 209101387 /nfs/dbraw/zinc/10/13/87/209101387.db2.gz OFHLWHORZMAEDE-OALUTQOASA-N 0 3 388.475 1.907 40 0 GDABHN Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCCC3)C2)c1 ZINC000306128131 209100304 /nfs/dbraw/zinc/10/03/04/209100304.db2.gz GQWXJBVSWRCRQD-MRXNPFEDSA-N 0 3 378.502 1.238 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CCN(Cc3ccsc3)C1)C2 ZINC000306126249 209096653 /nfs/dbraw/zinc/09/66/53/209096653.db2.gz DQVIPBPBYMNOIJ-OAQYLSRUSA-N 0 3 394.500 1.963 40 0 GDABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]21 ZINC000248128796 209029506 /nfs/dbraw/zinc/02/95/06/209029506.db2.gz PRSAGFLWOVQIAT-HYVNUMGLSA-N 0 3 378.498 1.934 40 0 GDABHN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)C(C)C)CC1 ZINC000257205051 209055775 /nfs/dbraw/zinc/05/57/75/209055775.db2.gz AXKMWQNMSSMEKM-ZRNYENFQSA-N 0 3 376.497 1.819 40 0 GDABHN CN1CCC(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)CC1 ZINC000257208986 209055896 /nfs/dbraw/zinc/05/58/96/209055896.db2.gz BOKNTZVLWGFRTI-MOPGFXCFSA-N 0 3 385.508 1.559 40 0 GDABHN N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 ZINC000257282790 209066402 /nfs/dbraw/zinc/06/64/02/209066402.db2.gz OVHVIRXLMUDLRA-KPFFTGBYSA-N 0 3 392.459 1.267 40 0 GDABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccc(F)cc3)c3nccnc23)C1 ZINC000072391667 222249596 /nfs/dbraw/zinc/24/95/96/222249596.db2.gz CXVGTOSAJCSONM-OAHLLOKOSA-N 0 3 382.443 1.743 40 0 GDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)N1CCCC1 ZINC000035442257 560080028 /nfs/dbraw/zinc/08/00/28/560080028.db2.gz AZKFJVSZLRZITM-OTWHNJEPSA-N 0 3 388.487 1.259 40 0 biogenic,in-vitro GDABHN COCCC(=O)N1CC2CC(C1)c1ccc(NC(=O)c3ccco3)c(=O)n1C2 ZINC000004236185 560197659 /nfs/dbraw/zinc/19/76/59/560197659.db2.gz BPYMJVGDPHRWEU-UONOGXRCSA-N 0 3 385.420 1.676 40 0 biogenic,in-vitro GDABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCc3ccccn3)[C@H]2O)cc1 ZINC000012489893 560212330 /nfs/dbraw/zinc/21/23/30/560212330.db2.gz MYNDHAQHSMFTBD-CSEOROSGSA-N 0 3 399.491 1.208 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585281986 570249706 /nfs/dbraw/zinc/24/97/06/570249706.db2.gz DUIFNNCKHVGHMV-OALUTQOASA-N 0 3 382.888 1.527 40 0 GDABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000575420547 570307629 /nfs/dbraw/zinc/30/76/29/570307629.db2.gz BVTHLTRRBSDMKR-MRXNPFEDSA-N 0 3 388.555 1.596 40 0 GDABHN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCCC3)ccc21 ZINC000223361630 570461718 /nfs/dbraw/zinc/46/17/18/570461718.db2.gz KHWJZAWEUUTNFY-UHFFFAOYSA-N 0 3 377.510 1.750 40 0 GDABHN O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)cc2[nH]1 ZINC000012239397 570629978 /nfs/dbraw/zinc/62/99/78/570629978.db2.gz NZVBZBNPCUVPQM-AWEZNQCLSA-N 0 3 378.498 1.885 40 0 GDABHN COC(=O)[C@@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340193 570880515 /nfs/dbraw/zinc/88/05/15/570880515.db2.gz MHHDNHIPCXBKBT-XQBPLPMBSA-N 0 3 386.492 1.874 40 0 GDABHN COC(=O)[C@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340194 570880595 /nfs/dbraw/zinc/88/05/95/570880595.db2.gz MHHDNHIPCXBKBT-DXIQSLLYSA-N 0 3 386.492 1.874 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585104261 570933212 /nfs/dbraw/zinc/93/32/12/570933212.db2.gz OWLXNXXDBHVGMK-MSOLQXFVSA-N 0 3 394.537 1.703 40 0 GDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218191467 531027790 /nfs/dbraw/zinc/02/77/90/531027790.db2.gz LTFPHXCXOHEUNL-OBJOEFQTSA-N 0 3 376.272 1.468 40 0 GDABHN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CN1CCCCCC1)C2 ZINC000019017204 207099469 /nfs/dbraw/zinc/09/94/69/207099469.db2.gz GPBLBMQJIAHEFG-LJQANCHMSA-N 0 3 385.512 1.921 40 0 GDABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)c3ccnn3C)c2)CC1 ZINC000019698327 207149339 /nfs/dbraw/zinc/14/93/39/207149339.db2.gz ZRKIFGGLOVXVGG-LJQANCHMSA-N 0 3 396.495 1.769 40 0 GDABHN COc1cc(CCC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)on1 ZINC000019588573 207141221 /nfs/dbraw/zinc/14/12/21/207141221.db2.gz UHUSXLXWZJKPJO-CQSZACIVSA-N 0 3 385.468 1.800 40 0 GDABHN COc1ccc(CN(C(=O)c2cccn3nnnc23)C2CCN(C)CC2)cc1 ZINC000019655013 207146241 /nfs/dbraw/zinc/14/62/41/207146241.db2.gz GZZCLFXIEYTGFA-UHFFFAOYSA-N 0 3 380.452 1.870 40 0 GDABHN COCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709257 207150812 /nfs/dbraw/zinc/15/08/12/207150812.db2.gz RGRRRIKTJXASEM-GOSISDBHSA-N 0 3 383.496 1.932 40 0 GDABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000020483288 207198158 /nfs/dbraw/zinc/19/81/58/207198158.db2.gz ZDSCKASGNSMPNT-UHFFFAOYSA-N 0 3 387.933 1.560 40 0 GDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccco3)C2)cs1 ZINC000306128284 209099564 /nfs/dbraw/zinc/09/95/64/209099564.db2.gz GVZZAFRKEXWJDE-IBGZPJMESA-N 0 3 399.476 1.359 40 0 GDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306125539 209097512 /nfs/dbraw/zinc/09/75/12/209097512.db2.gz CTMWLSVMVBTZOQ-CVEARBPZSA-N 0 3 396.447 1.163 40 0 GDABHN COCCN1CCC[C@@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257201991 209056195 /nfs/dbraw/zinc/05/61/95/209056195.db2.gz AJZMMRRCDCHBCO-OAHLLOKOSA-N 0 3 376.457 1.808 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1F ZINC000257222163 209056865 /nfs/dbraw/zinc/05/68/65/209056865.db2.gz DSEFLZXAZJSPBG-XLIONFOSSA-N 0 3 391.487 1.962 40 0 GDABHN COc1ccccc1[C@H]1CNCCN1CC(=O)NCCc1nc2ccccc2[nH]1 ZINC000257286716 209068972 /nfs/dbraw/zinc/06/89/72/209068972.db2.gz PMSVCAZSJSAFGN-LJQANCHMSA-N 0 3 393.491 1.877 40 0 GDABHN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c(C)c1 ZINC000224314531 136206680 /nfs/dbraw/zinc/20/66/80/136206680.db2.gz ZZGFTLQIGUADNP-UHFFFAOYSA-N 0 3 389.525 1.979 40 0 GDABHN COc1ccc(C(=O)NCCn2nc([C@H]3CCN(C)C3)c3cccnc32)cn1 ZINC000072391600 222248462 /nfs/dbraw/zinc/24/84/62/222248462.db2.gz PMIKVNFTAQUVLJ-HNNXBMFYSA-N 0 3 380.452 1.684 40 0 GDABHN CN1CCC(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000113953243 536343045 /nfs/dbraw/zinc/34/30/45/536343045.db2.gz IAMVCGDNPZPPFO-HNNXBMFYSA-N 0 3 387.889 1.077 40 0 GDABHN CCOCCOc1ccc(CNC[C@]2(O)CCN(c3cc(C)ncn3)C2)cc1 ZINC000585269992 570238951 /nfs/dbraw/zinc/23/89/51/570238951.db2.gz ADJXLEZVYNOGHE-OAQYLSRUSA-N 0 3 386.496 1.931 40 0 GDABHN Cn1ccnc1COc1ccc(CN2CC[C@@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585270506 570239311 /nfs/dbraw/zinc/23/93/11/570239311.db2.gz XZTWBYBLJQUDFT-JOCHJYFZSA-N 0 3 399.539 1.183 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284285 570253444 /nfs/dbraw/zinc/25/34/44/570253444.db2.gz WOOYHOMWZWSVOK-HXUWFJFHSA-N 0 3 398.450 1.808 40 0 GDABHN Cc1ccc(CNC[C@@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@@H]2O)cc1 ZINC000585284298 570253497 /nfs/dbraw/zinc/25/34/97/570253497.db2.gz JNMWHDROYCUDEJ-VQTJNVASSA-N 0 3 390.505 1.271 40 0 GDABHN CC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284714 570253937 /nfs/dbraw/zinc/25/39/37/570253937.db2.gz ZEAGSFXYRSJJNO-NRFANRHFSA-N 0 3 376.497 1.756 40 0 GDABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]21 ZINC000107746073 570310781 /nfs/dbraw/zinc/31/07/81/570310781.db2.gz PRSAGFLWOVQIAT-BHYGNILZSA-N 0 3 378.498 1.934 40 0 GDABHN CCOc1ccc(N([C@@H](CC)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000220681355 570390248 /nfs/dbraw/zinc/39/02/48/570390248.db2.gz LSUUBNCADGMFDI-SFHVURJKSA-N 0 3 397.541 1.840 40 0 GDABHN O=C([N-]CCC[NH2+]CCCC[NH2+]CCC[N-]C(=O)C(F)(F)F)C(F)(F)F ZINC000005501424 570443067 /nfs/dbraw/zinc/44/30/67/570443067.db2.gz RYJYHDWBXOJJKP-UHFFFAOYSA-N 0 3 394.360 1.083 40 0 GDABHN CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 ZINC000257245425 570488021 /nfs/dbraw/zinc/48/80/21/570488021.db2.gz IPKNMBZETJFHDB-HXUWFJFHSA-N 0 3 389.475 1.988 40 0 GDABHN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000224283885 570507431 /nfs/dbraw/zinc/50/74/31/570507431.db2.gz CIRPEXGQYBUTFH-UHFFFAOYSA-N 0 3 391.493 1.812 40 0 GDABHN CN(CCc1ccccc1)[C@H]1[C@@H](CNCc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465827 575368416 /nfs/dbraw/zinc/36/84/16/575368416.db2.gz MXSATZMOVHAEIK-CLAROIROSA-N 0 3 388.483 1.579 40 0 biogenic,in-vitro GDABHN O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1)N1CCOCC1 ZINC000008298086 291112286 /nfs/dbraw/zinc/11/22/86/291112286.db2.gz NJHMEQHFXBUEFP-OTWHNJEPSA-N 0 3 381.480 1.514 40 0 biogenic,in-vitro GDABHN COc1cccc(CN2CC[C@@H](c3nn(CCNC(C)=O)c4nccnc34)C2)c1 ZINC000019021574 207101017 /nfs/dbraw/zinc/10/10/17/207101017.db2.gz KHHOOSGLXZOGKO-QGZVFWFLSA-N 0 3 394.479 1.961 40 0 GDABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@@H]2CCCCO2)C3)CC1 ZINC000019588285 207140378 /nfs/dbraw/zinc/14/03/78/207140378.db2.gz QTBRRZTYRQOXPN-SFHVURJKSA-N 0 3 388.512 1.756 40 0 GDABHN COc1ccc(CN(C)CC(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)cc1 ZINC000072374056 208008729 /nfs/dbraw/zinc/00/87/29/208008729.db2.gz FSSICUZIPQWJOJ-SFHVURJKSA-N 0 3 398.511 1.576 40 0 GDABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 ZINC000096052911 208254847 /nfs/dbraw/zinc/25/48/47/208254847.db2.gz LQXRGBWPJJFSRW-MRXNPFEDSA-N 0 3 393.553 1.535 40 0 GDABHN Cc1ccsc1CN1CC[C@@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 ZINC000306135178 209104415 /nfs/dbraw/zinc/10/44/15/209104415.db2.gz OKGFRWJWNOPJTG-LJQANCHMSA-N 0 3 388.493 1.360 40 0 GDABHN COCCNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004133593 208536908 /nfs/dbraw/zinc/53/69/08/208536908.db2.gz SHKPFZORKJXZPC-UHFFFAOYSA-N 0 3 392.525 1.421 40 0 GDABHN CCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000257223261 209058008 /nfs/dbraw/zinc/05/80/08/209058008.db2.gz DWOWJONZIXSLOO-UZLBHIALSA-N 0 3 389.496 1.825 40 0 GDABHN NCc1cccc(C(=O)NC[C@]2(O)CCN(c3ccnc4ccncc43)C2)c1 ZINC000257275863 209065950 /nfs/dbraw/zinc/06/59/50/209065950.db2.gz NRGSIUXAAOQYCE-OAQYLSRUSA-N 0 3 377.448 1.460 40 0 GDABHN COc1ccccc1[C@@H]1CNCCN1CC(=O)NCCc1nc2ccccc2[nH]1 ZINC000257286715 209069592 /nfs/dbraw/zinc/06/95/92/209069592.db2.gz PMSVCAZSJSAFGN-IBGZPJMESA-N 0 3 393.491 1.877 40 0 GDABHN O=C(c1cccnc1)N1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290131 560030705 /nfs/dbraw/zinc/03/07/05/560030705.db2.gz UEIYPHGPDOYNBD-NHCUHLMSSA-N 0 3 392.503 1.270 40 0 biogenic,in-vitro GDABHN O[C@]1(CNCc2cccc(CN3CCOCC3)c2)CCCN(c2ncccn2)C1 ZINC000585274313 570243449 /nfs/dbraw/zinc/24/34/49/570243449.db2.gz VCXAIAUSGCEDEB-QFIPXVFZSA-N 0 3 397.523 1.430 40 0 GDABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCCOc2ccccc2)[C@@H](O)C1 ZINC000585286221 570255715 /nfs/dbraw/zinc/25/57/15/570255715.db2.gz XRJVZQFXTSCLAI-UNMCSNQZSA-N 0 3 384.476 1.222 40 0 GDABHN COc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585291225 570259890 /nfs/dbraw/zinc/25/98/90/570259890.db2.gz LVEAVRDWKSFWGN-IRLDBZIGSA-N 0 3 384.476 1.352 40 0 GDABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC000012145860 570616373 /nfs/dbraw/zinc/61/63/73/570616373.db2.gz LFBALGZPRXAPNC-HZPDHXFCSA-N 0 3 383.496 1.933 40 0 GDABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)CCC2 ZINC000585108188 570940120 /nfs/dbraw/zinc/94/01/20/570940120.db2.gz PAQGZYKBYQJDKX-XIKOKIGWSA-N 0 3 384.427 1.705 40 0 GDABHN CC1CCN([C@H]2[C@@H](CNC(=O)Nc3ccc(F)cc3F)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466010 575368552 /nfs/dbraw/zinc/36/85/52/575368552.db2.gz JOHDZLCOWWNCTK-VSZNYVQBSA-N 0 3 399.438 1.307 40 0 biogenic,in-vitro GDABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCC(N)=O ZINC000008253709 530549286 /nfs/dbraw/zinc/54/92/86/530549286.db2.gz ZUIJJVFYSZELRQ-UHFFFAOYSA-N 0 3 375.263 1.572 40 0 GDABHN COc1ccc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl ZINC000013646400 530559067 /nfs/dbraw/zinc/55/90/67/530559067.db2.gz IHWFMLOTCYHHGD-UHFFFAOYSA-N 0 3 391.921 1.573 40 0 GDABHN NC[C@@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180395 531027852 /nfs/dbraw/zinc/02/78/52/531027852.db2.gz GTACBAKTANSLKN-IXDOHACOSA-N 0 3 380.853 1.665 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CN(Cc3cccs3)C[C@@H]21 ZINC000306143304 209107959 /nfs/dbraw/zinc/10/79/59/209107959.db2.gz XYDFFJUBMKOHMZ-NVXWUHKLSA-N 0 3 380.473 1.744 40 0 GDABHN COCCN1CC[C@H](NCC2CC2)[C@@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141955 209107068 /nfs/dbraw/zinc/10/70/68/209107068.db2.gz WLIHXIYYHYOGSH-AZUAARDMSA-N 0 3 378.517 1.281 40 0 GDABHN Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306140008 209106963 /nfs/dbraw/zinc/10/69/63/209106963.db2.gz UGTDUENRGVJKCS-JOCHJYFZSA-N 0 3 396.491 1.607 40 0 GDABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019526455 207128327 /nfs/dbraw/zinc/12/83/27/207128327.db2.gz PGZBUQNYHIZJCL-HNNXBMFYSA-N 0 3 394.545 1.369 40 0 GDABHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000019581950 207140100 /nfs/dbraw/zinc/14/01/00/207140100.db2.gz IZMQKWPBZZYKMC-JKSUJKDBSA-N 0 3 394.541 1.676 40 0 GDABHN COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019551311 207131640 /nfs/dbraw/zinc/13/16/40/207131640.db2.gz FISYBAUJRFWYNC-CQSZACIVSA-N 0 3 382.464 1.698 40 0 GDABHN Cc1c(-c2cncn2CCN[C@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 ZINC000019654456 207145015 /nfs/dbraw/zinc/14/50/15/207145015.db2.gz WGYPFJCAOFBCQM-SFHVURJKSA-N 0 3 399.520 1.880 40 0 GDABHN COCc1ccc(C(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709258 207151017 /nfs/dbraw/zinc/15/10/17/207151017.db2.gz RGRRRIKTJXASEM-SFHVURJKSA-N 0 3 383.496 1.932 40 0 GDABHN CN1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1 ZINC000019750906 207159380 /nfs/dbraw/zinc/15/93/80/207159380.db2.gz UOXXUCBZZMXQET-LJQANCHMSA-N 0 3 396.491 1.379 40 0 GDABHN CCCCn1c(SCCN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004212696 208539454 /nfs/dbraw/zinc/53/94/54/208539454.db2.gz PTJRNDOXZNNUAY-UHFFFAOYSA-N 0 3 379.530 1.812 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccco4)C[C@@H]32)cc1 ZINC000306132680 209101809 /nfs/dbraw/zinc/10/18/09/209101809.db2.gz LPDLTNYVQUOLPW-SJLPKXTDSA-N 0 3 378.432 1.584 40 0 GDABHN CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CCN(Cc1cccs1)C2 ZINC000306129774 209098778 /nfs/dbraw/zinc/09/87/78/209098778.db2.gz IMNIZBZEHZGMAT-IBGZPJMESA-N 0 3 386.525 1.712 40 0 GDABHN Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306128618 209099519 /nfs/dbraw/zinc/09/95/19/209099519.db2.gz HGFQTYSPSDPNDI-CVEARBPZSA-N 0 3 377.452 1.568 40 0 GDABHN COCCNC(=O)[C@@H]1CCC[C@@H](NCc2ccc(OC)cc2)CN(C)C(=O)C1 ZINC000096113442 209010714 /nfs/dbraw/zinc/01/07/14/209010714.db2.gz CWWAXQCOMHUGQL-QZTJIDSGSA-N 0 3 391.512 1.565 40 0 biogenic,in-vitro GDABHN O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1 ZINC000247325231 209026699 /nfs/dbraw/zinc/02/66/99/209026699.db2.gz NEKAVNPGOBXPTJ-OAHLLOKOSA-N 0 3 378.473 1.939 40 0 GDABHN CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000257215418 209057600 /nfs/dbraw/zinc/05/76/00/209057600.db2.gz CPZYEUNQKCVZMW-UHFFFAOYSA-N 0 3 398.511 1.671 40 0 GDABHN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCCN1CC1(O)CCOCC1 ZINC000257220112 209058336 /nfs/dbraw/zinc/05/83/36/209058336.db2.gz DJOQZFQBHNQKTP-INIZCTEOSA-N 0 3 387.484 1.500 40 0 GDABHN COc1ccc(CNCCn2nc([C@@H]3CCN(C(C)=O)C3)c3nccnc32)cc1 ZINC000072391607 222248497 /nfs/dbraw/zinc/24/84/97/222248497.db2.gz CTGOOKFGTALNFJ-QGZVFWFLSA-N 0 3 394.479 1.961 40 0 GDABHN COc1ccccc1CNCCn1nc([C@@H]2CCN(C(C)=O)C2)c2nccnc21 ZINC000072391617 222249667 /nfs/dbraw/zinc/24/96/67/222249667.db2.gz FCBFLPHKJSKUPC-QGZVFWFLSA-N 0 3 394.479 1.961 40 0 GDABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000003838643 560189923 /nfs/dbraw/zinc/18/99/23/560189923.db2.gz NPTSDWASUUUVIN-KYJSFNMBSA-N 0 3 385.468 1.124 40 0 biogenic,in-vitro GDABHN O[C@]1(CNCc2cccc(CN3CCOCC3)c2)CCCN(c2cnccn2)C1 ZINC000585274422 570243395 /nfs/dbraw/zinc/24/33/95/570243395.db2.gz WGAQSNDUVHPMRG-QFIPXVFZSA-N 0 3 397.523 1.430 40 0 GDABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(F)cc2)C1 ZINC000585289868 570257776 /nfs/dbraw/zinc/25/77/76/570257776.db2.gz LPPLMEXRWQCSFX-QUCCMNQESA-N 0 3 392.858 1.746 40 0 GDABHN CCN(CCO)C[C@H]1O[C@@H](c2ccccc2)O[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]21 ZINC000004783401 570405327 /nfs/dbraw/zinc/40/53/27/570405327.db2.gz JGAJKIMRDZDQSF-RRQVMCLOSA-N 0 3 379.453 1.660 40 0 GDABHN CCc1nn(CC(=O)NC[C@H]2CCCN2CC)c(=O)c2cc3sccc3n21 ZINC000005108934 570429831 /nfs/dbraw/zinc/42/98/31/570429831.db2.gz UVCVRPVORZMHCR-CYBMUJFWSA-N 0 3 387.509 1.874 40 0 GDABHN CCc1nn(CC(=O)NC[C@H]2CCCN2CC)c(=O)c2cc3ccsc3n21 ZINC000012144586 570615831 /nfs/dbraw/zinc/61/58/31/570615831.db2.gz GXMVAQBFOVULIZ-CQSZACIVSA-N 0 3 387.509 1.874 40 0 GDABHN CC(=O)N[C@H]1CN(C(C)=O)C2(C1)CCN(Cc1ccc3nccnc3c1)CC2 ZINC000257238960 570767362 /nfs/dbraw/zinc/76/73/62/570767362.db2.gz HNGOJCLJOUFSAD-GOSISDBHSA-N 0 3 381.480 1.721 40 0 GDABHN CCC(CC)C(=O)N1CCC(N2C(=O)NC3(CCN(CC)CC3)C2=O)CC1 ZINC000019699553 570895398 /nfs/dbraw/zinc/89/53/98/570895398.db2.gz PSQTYOBQFSACEW-UHFFFAOYSA-N 0 3 378.517 1.820 40 0 GDABHN CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(CC1CC(F)(F)C1)CC2 ZINC000585100625 570924848 /nfs/dbraw/zinc/92/48/48/570924848.db2.gz QLXRLIGOMKXESD-MRXNPFEDSA-N 0 3 378.485 1.923 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103773 570928944 /nfs/dbraw/zinc/92/89/44/570928944.db2.gz JMQYRNBIOOWNLF-GOSISDBHSA-N 0 3 394.537 1.703 40 0 GDABHN Cc1noc(C)c1C(=O)N1CCc2nc3n(c(=O)c2C1)[C@H](CN(C)C)CCC3 ZINC000585110162 570938991 /nfs/dbraw/zinc/93/89/91/570938991.db2.gz REEPYBCLVSQWLY-AWEZNQCLSA-N 0 3 385.468 1.486 40 0 GDABHN Cc1cc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)ccc1Br ZINC000013671041 530558877 /nfs/dbraw/zinc/55/88/77/530558877.db2.gz SXGLPYPWRVQUFD-UHFFFAOYSA-N 0 3 392.319 1.201 40 0 GDABHN COc1ccccc1CNc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000328984005 206240016 /nfs/dbraw/zinc/24/00/16/206240016.db2.gz HJXJXOALWJPCEA-UHFFFAOYSA-N 0 3 378.480 1.977 40 0 GDABHN Cc1ncsc1CN1CCC2(CCn3c2nn(C(C)C)c(=O)c3=O)CC1 ZINC000306141566 209106187 /nfs/dbraw/zinc/10/61/87/209106187.db2.gz WAPFVAKINRDGJB-UHFFFAOYSA-N 0 3 375.498 1.688 40 0 GDABHN CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)CN3CCCCCC3)ncc2C1 ZINC000019018508 207099020 /nfs/dbraw/zinc/09/90/20/207099020.db2.gz MNYHLJBMFFJOMV-LJQANCHMSA-N 0 3 385.512 1.921 40 0 GDABHN CCn1cc(S(=O)(=O)N2CCC(O)(CN(C)Cc3ccccc3)CC2)cn1 ZINC000019525011 207129411 /nfs/dbraw/zinc/12/94/11/207129411.db2.gz OOZSWKGTBPQZQB-UHFFFAOYSA-N 0 3 392.525 1.551 40 0 GDABHN C=Cn1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1C ZINC000019554363 207132911 /nfs/dbraw/zinc/13/29/11/207132911.db2.gz SVAWYHZVUHTGOL-INIZCTEOSA-N 0 3 384.484 1.592 40 0 GDABHN C=Cn1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1C ZINC000019554363 207132916 /nfs/dbraw/zinc/13/29/16/207132916.db2.gz SVAWYHZVUHTGOL-INIZCTEOSA-N 0 3 384.484 1.592 40 0 GDABHN CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 ZINC000019699841 207149599 /nfs/dbraw/zinc/14/95/99/207149599.db2.gz CAKRYROGTVZSOR-INIZCTEOSA-N 0 3 378.517 1.818 40 0 GDABHN CCC(=O)N1CC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019700778 207149960 /nfs/dbraw/zinc/14/99/60/207149960.db2.gz GOOHTFJZLKQFQH-GOSISDBHSA-N 0 3 398.507 1.626 40 0 GDABHN CN1CCC[C@@H](c2nnc3n2CCN(S(=O)(=O)c2ccccc2Cl)C3)C1 ZINC000019711108 207151734 /nfs/dbraw/zinc/15/17/34/207151734.db2.gz NQYYLOYXOWGIPU-CYBMUJFWSA-N 0 3 395.916 1.945 40 0 GDABHN COc1cc2c(cc1CN1CCC[C@H]1c1nnc3n1CCNCC3)OCCO2 ZINC000019710633 207151964 /nfs/dbraw/zinc/15/19/64/207151964.db2.gz XXDWAPOXESHIPT-HNNXBMFYSA-N 0 3 385.468 1.541 40 0 GDABHN CN(C)c1ccc(C(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709489 207152768 /nfs/dbraw/zinc/15/27/68/207152768.db2.gz OPTRPDHOSSLWSE-KRWDZBQOSA-N 0 3 382.512 1.852 40 0 GDABHN CN1CCCC[C@H]1CNC(=O)c1cccn(CC(=O)NCc2ccccc2)c1=O ZINC000019750204 207159802 /nfs/dbraw/zinc/15/98/02/207159802.db2.gz HLZASFRDGJEPBY-SFHVURJKSA-N 0 3 396.491 1.379 40 0 GDABHN O=S1(=O)CC[C@H](NCCn2cncc2-c2cnc(N3CCCCC3)s2)C1 ZINC000019719450 207154878 /nfs/dbraw/zinc/15/48/78/207154878.db2.gz DWYVHGFAIYYYRC-AWEZNQCLSA-N 0 3 395.554 1.774 40 0 GDABHN COc1cc(CN2CCC(N3CCN(CCO)CC3)CC2)cc(OC)c1OC ZINC000020228310 207185141 /nfs/dbraw/zinc/18/51/41/207185141.db2.gz VRMBEGBQDBAVJD-UHFFFAOYSA-N 0 3 393.528 1.287 40 0 GDABHN OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 ZINC000027646862 207328889 /nfs/dbraw/zinc/32/88/89/207328889.db2.gz XVYLNHVEAOOEGI-RROAVTMRSA-N 0 3 397.556 1.149 40 0 in-vitro GDABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096144908 208273831 /nfs/dbraw/zinc/27/38/31/208273831.db2.gz PKVGTTCBJKVKHG-QGZVFWFLSA-N 0 3 386.500 1.375 40 0 GDABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 ZINC000096052912 208256907 /nfs/dbraw/zinc/25/69/07/208256907.db2.gz LQXRGBWPJJFSRW-INIZCTEOSA-N 0 3 393.553 1.535 40 0 GDABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1)N1CCCC1 ZINC000096263176 208297459 /nfs/dbraw/zinc/29/74/59/208297459.db2.gz BDTRZPVRYZKFED-GOSISDBHSA-N 0 3 381.480 1.791 40 0 GDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306134946 209102555 /nfs/dbraw/zinc/10/25/55/209102555.db2.gz OCDNXFLDVUEVAH-GJZGRUSLSA-N 0 3 383.452 1.449 40 0 GDABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306133302 209102424 /nfs/dbraw/zinc/10/24/24/209102424.db2.gz MHXKAZGMKDXGHL-HUUCEWRRSA-N 0 3 395.463 1.593 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306128619 209100491 /nfs/dbraw/zinc/10/04/91/209100491.db2.gz HGFQTYSPSDPNDI-HOTGVXAUSA-N 0 3 377.452 1.568 40 0 GDABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21 ZINC000248128795 209028812 /nfs/dbraw/zinc/02/88/12/209028812.db2.gz PRSAGFLWOVQIAT-DJIMGWMZSA-N 0 3 378.498 1.934 40 0 GDABHN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257284954 209068513 /nfs/dbraw/zinc/06/85/13/209068513.db2.gz PFAHODATJWMVFE-QGZVFWFLSA-N 0 3 390.513 1.736 40 0 GDABHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000224315122 136206776 /nfs/dbraw/zinc/20/67/76/136206776.db2.gz ADPXRJUOLTVHLR-UHFFFAOYSA-N 0 3 381.889 1.707 40 0 GDABHN CC(=O)N[C@]12CN(C(=O)c3ccnn3C)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257307881 209073377 /nfs/dbraw/zinc/07/33/77/209073377.db2.gz TUMDNKZGTYLFTC-YFVAEKQCSA-N 0 3 381.480 1.444 40 0 GDABHN COc1ccccc1C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391635 222248831 /nfs/dbraw/zinc/24/88/31/222248831.db2.gz OPWQTMFWERBFDO-CQSZACIVSA-N 0 3 380.452 1.684 40 0 GDABHN CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 ZINC000585269690 570238578 /nfs/dbraw/zinc/23/85/78/570238578.db2.gz HVEDGFSSDYKHAP-HXUWFJFHSA-N 0 3 379.476 1.136 40 0 GDABHN CCOCCOc1ccc(CN2CC[C@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585269902 570238936 /nfs/dbraw/zinc/23/89/36/570238936.db2.gz PNRXCYKTVPRPMI-NRFANRHFSA-N 0 3 377.529 1.286 40 0 GDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)CC1 ZINC000585287655 570258889 /nfs/dbraw/zinc/25/88/89/570258889.db2.gz QFKJKPZPILSBJD-UNMCSNQZSA-N 0 3 390.524 1.799 40 0 GDABHN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2cncc(C)c2)CC1 ZINC000585293966 570263518 /nfs/dbraw/zinc/26/35/18/570263518.db2.gz FHDOIPGKNFVJPZ-UHFFFAOYSA-N 0 3 389.496 1.784 40 0 GDABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160522 570360483 /nfs/dbraw/zinc/36/04/83/570360483.db2.gz UVRXJVMPDILPCH-UHFFFAOYSA-N 0 3 390.509 1.557 40 0 GDABHN CCS(=O)(=O)N1C[C@H](C(=O)NCCN2CCCCC2)Oc2ccccc21 ZINC000026112949 570450319 /nfs/dbraw/zinc/45/03/19/570450319.db2.gz QMNZRLKAOITYEB-QGZVFWFLSA-N 0 3 381.498 1.206 40 0 GDABHN COCCOc1cc(CNC[C@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257334151 570486847 /nfs/dbraw/zinc/48/68/47/570486847.db2.gz YESNXLFMYUZYEP-HXUWFJFHSA-N 0 3 388.468 1.241 40 0 GDABHN CC1CCN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000225087871 570547858 /nfs/dbraw/zinc/54/78/58/570547858.db2.gz UEDMLCNARNKTIU-UHFFFAOYSA-N 0 3 393.509 1.740 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCN(C)C ZINC000225230768 570558208 /nfs/dbraw/zinc/55/82/08/570558208.db2.gz YGEOHADYHYSRSX-UHFFFAOYSA-N 0 3 383.514 1.090 40 0 GDABHN CNCc1cc(NC)nc([C@@H]2CCCN2C(=O)COc2ccccc2OC)n1 ZINC000019760446 570888774 /nfs/dbraw/zinc/88/87/74/570888774.db2.gz BDTJTZHBCDOZDQ-HNNXBMFYSA-N 0 3 385.468 1.989 40 0 GDABHN O=C(CCc1cccnc1)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103175 570931585 /nfs/dbraw/zinc/93/15/85/570931585.db2.gz FGUSQWUTDUQUJP-FQEVSTJZSA-N 0 3 387.524 1.869 40 0 GDABHN CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1cccc(F)c1)CC3 ZINC000585110182 570939203 /nfs/dbraw/zinc/93/92/03/570939203.db2.gz SRIRXLIKFVWOGJ-KRWDZBQOSA-N 0 3 398.482 1.949 40 0 GDABHN CN(C)CCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2ccccn2)n1 ZINC000328979241 206239232 /nfs/dbraw/zinc/23/92/32/206239232.db2.gz GFRWTJIEAIJZOL-UHFFFAOYSA-N 0 3 377.452 1.190 40 0 GDABHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@H](N)C1)C2 ZINC000097757509 206302013 /nfs/dbraw/zinc/30/20/13/206302013.db2.gz MKMPWKUAHLTIBJ-MJEQTWJJSA-N 0 3 398.435 1.142 40 0 GDABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)CN2CCCCCC2)C3)CC1 ZINC000019016842 207098952 /nfs/dbraw/zinc/09/89/52/207098952.db2.gz TWBXRHICZWJYCO-UHFFFAOYSA-N 0 3 399.539 1.963 40 0 GDABHN COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1OC ZINC000019560350 207135121 /nfs/dbraw/zinc/13/51/21/207135121.db2.gz YIURIISWYRIYRO-OAHLLOKOSA-N 0 3 382.464 1.698 40 0 GDABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@H]2CCCCO2)C3)CC1 ZINC000019588287 207139796 /nfs/dbraw/zinc/13/97/96/207139796.db2.gz QTBRRZTYRQOXPN-GOSISDBHSA-N 0 3 388.512 1.756 40 0 GDABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(S(=O)(=O)C1CCCCC1)C2 ZINC000019707136 207150176 /nfs/dbraw/zinc/15/01/76/207150176.db2.gz LRPQAEYTYZGQIH-HNNXBMFYSA-N 0 3 379.530 1.963 40 0 GDABHN CN1CCCc2cc(C(=O)N3CCC[C@H]3c3nnc4n3CCNCC4)ccc21 ZINC000019710625 207152062 /nfs/dbraw/zinc/15/20/62/207152062.db2.gz LIZBQRMALBKNPZ-SFHVURJKSA-N 0 3 380.496 1.784 40 0 GDABHN Cc1cc(S(=O)(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)ccc1F ZINC000019710980 207152111 /nfs/dbraw/zinc/15/21/11/207152111.db2.gz YGCVZEDUNHLTJA-CQSZACIVSA-N 0 3 393.488 1.739 40 0 GDABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N(C)Cc1ccccn1 ZINC000096251089 208296828 /nfs/dbraw/zinc/29/68/28/208296828.db2.gz IMLPWVAPDOEXQV-GUDVDZBRSA-N 0 3 393.553 1.821 40 0 GDABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306130959 209099221 /nfs/dbraw/zinc/09/92/21/209099221.db2.gz JTJCWSMTCAAEOL-ZIAGYGMSSA-N 0 3 381.436 1.203 40 0 GDABHN CN1C[C@H](NCc2cccnc2)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O ZINC000096113496 209010769 /nfs/dbraw/zinc/01/07/69/209010769.db2.gz OEIRMFMXKUHWHN-IEBWSBKVSA-N 0 3 388.512 1.484 40 0 biogenic,in-vitro GDABHN CCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257204006 209056497 /nfs/dbraw/zinc/05/64/97/209056497.db2.gz ASPVUMJMXWRYSV-IBGZPJMESA-N 0 3 380.492 1.817 40 0 GDABHN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCCN1CC1(O)CCOCC1 ZINC000257220113 209058222 /nfs/dbraw/zinc/05/82/22/209058222.db2.gz DJOQZFQBHNQKTP-MRXNPFEDSA-N 0 3 387.484 1.500 40 0 GDABHN CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270106 570238617 /nfs/dbraw/zinc/23/86/17/570238617.db2.gz FIBHLLRZZHTPGX-JOCHJYFZSA-N 0 3 399.539 1.146 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282741 570250765 /nfs/dbraw/zinc/25/07/65/570250765.db2.gz NHNGSAGIZADLOO-OAQYLSRUSA-N 0 3 394.487 1.713 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@H](CO)C1 ZINC000585285239 570254258 /nfs/dbraw/zinc/25/42/58/570254258.db2.gz WRWBWJTWWYSXIR-LJQANCHMSA-N 0 3 375.513 1.099 40 0 GDABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCc2cccnc2)[C@@H](O)C1 ZINC000585286311 570255648 /nfs/dbraw/zinc/25/56/48/570255648.db2.gz YTRNSUXNGUQEHV-ICSRJNTNSA-N 0 3 389.883 1.392 40 0 GDABHN COc1cc([C@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc(OC)c1OC ZINC000022362973 570343157 /nfs/dbraw/zinc/34/31/57/570343157.db2.gz FTQDVFVRKDZVRX-INIZCTEOSA-N 0 3 381.392 1.709 40 0 GDABHN CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccn1)CC3 ZINC000585110111 570938973 /nfs/dbraw/zinc/93/89/73/570938973.db2.gz JTJSAHFNPQDOIG-INIZCTEOSA-N 0 3 381.480 1.205 40 0 GDABHN CCn1nc2ccn(-c3ccc(C(=O)NCCN4CCCCC4)cc3)nc-2c1=O ZINC000306144039 209109074 /nfs/dbraw/zinc/10/90/74/209109074.db2.gz YTZLUHKJSGSLRB-UHFFFAOYSA-N 0 3 394.479 1.769 40 0 GDABHN CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1 ZINC000019022495 207101183 /nfs/dbraw/zinc/10/11/83/207101183.db2.gz VEBKWMHVNBKMOQ-UHFFFAOYSA-N 0 3 381.480 1.929 40 0 GDABHN CC(=O)Nc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1 ZINC000019022495 207101188 /nfs/dbraw/zinc/10/11/88/207101188.db2.gz VEBKWMHVNBKMOQ-UHFFFAOYSA-N 0 3 381.480 1.929 40 0 GDABHN Cc1nn(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c(C)c1C ZINC000019556413 207132292 /nfs/dbraw/zinc/13/22/92/207132292.db2.gz ZPJQOZKVHIONIC-UHFFFAOYSA-N 0 3 382.512 1.992 40 0 GDABHN CN(C)c1cccc(C(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)c1 ZINC000019709486 207152157 /nfs/dbraw/zinc/15/21/57/207152157.db2.gz DTGSMETZGSTALF-QGZVFWFLSA-N 0 3 382.512 1.852 40 0 GDABHN CN(C)C[C@H](NC(=O)c1cccn(CC(=O)N2CCCC2)c1=O)c1ccccc1 ZINC000019749962 207158981 /nfs/dbraw/zinc/15/89/81/207158981.db2.gz SIOWOIAHZFHJHC-IBGZPJMESA-N 0 3 396.491 1.503 40 0 GDABHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC ZINC000060859461 207786599 /nfs/dbraw/zinc/78/65/99/207786599.db2.gz SQGQXAFCCKDBPM-UHFFFAOYSA-N 0 3 383.514 1.550 40 0 GDABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)CCc2cccnc2)C3)CC1 ZINC000096228449 208290601 /nfs/dbraw/zinc/29/06/01/208290601.db2.gz QMFGZJVOXSKFQX-IFMALSPDSA-N 0 3 386.540 1.659 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306132107 209102358 /nfs/dbraw/zinc/10/23/58/209102358.db2.gz KYOUZWLZCVUCEA-GJZGRUSLSA-N 0 3 395.442 1.707 40 0 GDABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccccn2)C1 ZINC000306129329 209099728 /nfs/dbraw/zinc/09/97/28/209099728.db2.gz IAVYLZLJLPUTES-FQEVSTJZSA-N 0 3 395.488 1.457 40 0 GDABHN NCc1cccc(C(=O)NC[C@@]2(O)CCN(c3ccnc4ccncc43)C2)c1 ZINC000257275862 209067308 /nfs/dbraw/zinc/06/73/08/209067308.db2.gz NRGSIUXAAOQYCE-NRFANRHFSA-N 0 3 377.448 1.460 40 0 GDABHN CNC(=O)[C@]12CN(Cc3ccc(OC)cc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251098 136185650 /nfs/dbraw/zinc/18/56/50/136185650.db2.gz METJWUPTDCFDHV-WIYYLYMNSA-N 0 3 381.480 1.702 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1C ZINC000224314761 136206654 /nfs/dbraw/zinc/20/66/54/136206654.db2.gz XRBWNWVOGODCLX-UHFFFAOYSA-N 0 3 391.497 1.371 40 0 GDABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257337301 209078029 /nfs/dbraw/zinc/07/80/29/209078029.db2.gz YSGDANAAVWGSAP-IBGZPJMESA-N 0 3 380.492 1.947 40 0 GDABHN COCCN1C(=O)CO[C@H]2CN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]21 ZINC000585282875 570250931 /nfs/dbraw/zinc/25/09/31/570250931.db2.gz ITUZPRLMXSLACO-BPBCIEFSSA-N 0 3 388.508 1.633 40 0 GDABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585283598 570251931 /nfs/dbraw/zinc/25/19/31/570251931.db2.gz SCUTYRSRVLBVJE-HXUWFJFHSA-N 0 3 396.459 1.889 40 0 GDABHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220661348 570390229 /nfs/dbraw/zinc/39/02/29/570390229.db2.gz RPIUPSCXNRTTMS-KRWDZBQOSA-N 0 3 383.514 1.450 40 0 GDABHN O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)cc2[nH]1 ZINC000012239393 570629972 /nfs/dbraw/zinc/62/99/72/570629972.db2.gz NZVBZBNPCUVPQM-CQSZACIVSA-N 0 3 378.498 1.885 40 0 GDABHN COc1ccc2c(c1)c(CN1CCC[C@@H](C(=O)N3CCCC3)C1)cn2CC(N)=O ZINC000012364438 570646818 /nfs/dbraw/zinc/64/68/18/570646818.db2.gz TWWQZWNLFPCDGH-MRXNPFEDSA-N 0 3 398.507 1.970 40 0 GDABHN Cc1cc(CN2CCC[C@]3(CCCN3C(=O)CCC(=O)N(C)C)CC2)n(C)n1 ZINC000585100273 570924301 /nfs/dbraw/zinc/92/43/01/570924301.db2.gz JHMIBKWLHSKQKF-NRFANRHFSA-N 0 3 389.544 1.944 40 0 GDABHN CN(C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2cccnc2)n1 ZINC000329050137 206242130 /nfs/dbraw/zinc/24/21/30/206242130.db2.gz UTEMZSRSXHNEMC-UHFFFAOYSA-N 0 3 377.452 1.190 40 0 GDABHN CC(=O)OCc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1 ZINC000019023039 207100590 /nfs/dbraw/zinc/10/05/90/207100590.db2.gz DGMCNTOVSLPEOC-UHFFFAOYSA-N 0 3 386.452 1.627 40 0 GDABHN CC(=O)OCc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1 ZINC000019023039 207100595 /nfs/dbraw/zinc/10/05/95/207100595.db2.gz DGMCNTOVSLPEOC-UHFFFAOYSA-N 0 3 386.452 1.627 40 0 GDABHN Cc1ccn2cc(C(=O)N(CCN3CCOCC3)C3CCN(C)CC3)nc2c1 ZINC000019238157 207110569 /nfs/dbraw/zinc/11/05/69/207110569.db2.gz UUBBJTVKIIZXPH-UHFFFAOYSA-N 0 3 385.512 1.511 40 0 GDABHN CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccn3)C2)c2cccnc21 ZINC000019583240 207139835 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CC[C@@H](C(=O)NCCN1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715966 570779115 /nfs/dbraw/zinc/77/91/15/570779115.db2.gz MEFGQWLKTWNMRZ-KRWDZBQOSA-N 0 3 385.505 1.972 40 0 GDABHN CN(C)CCN(C)C(=O)CN1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327569 570879059 /nfs/dbraw/zinc/87/90/59/570879059.db2.gz AIHVHDGWQFAYHN-OAQYLSRUSA-N 0 3 387.480 1.423 40 0 GDABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585104016 570929704 /nfs/dbraw/zinc/92/97/04/570929704.db2.gz ZEXQAPPYSRNYAC-FQEVSTJZSA-N 0 3 397.523 1.887 40 0 GDABHN CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(CC2(O)CCOCC2)C1 ZINC000585180143 570999730 /nfs/dbraw/zinc/99/97/30/570999730.db2.gz OVUJOEGWNKNNFC-CYBMUJFWSA-N 0 3 390.509 1.724 40 0 GDABHN CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)c4ccccc4)CC3(C)C)C2)CC1 ZINC000253400782 206283669 /nfs/dbraw/zinc/28/36/69/206283669.db2.gz LVMLSWNUWBSODT-NRFANRHFSA-N 0 3 398.551 1.918 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)[C@@H](C)N4CCCC4)CC3)ncc2C1 ZINC000019078081 207100614 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396.539 1.464 40 0 GDABHN CN1CCN(CC(C)(C)C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)CC1 ZINC000023093269 207268374 /nfs/dbraw/zinc/26/83/74/207268374.db2.gz WPFHHTYXUWWOQA-UHFFFAOYSA-N 0 3 396.539 1.464 40 0 GDABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)CCc2cccnc2)C3)CC1 ZINC000096228451 208291770 /nfs/dbraw/zinc/29/17/70/208291770.db2.gz QMFGZJVOXSKFQX-IRLDBZIGSA-N 0 3 386.540 1.659 40 0 GDABHN CS(=O)(=O)NC[C@H]1CC[C@]2(COCCN(Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125609 209096911 /nfs/dbraw/zinc/09/69/11/209096911.db2.gz CVOJLGYRACEUTO-APWZRJJASA-N 0 3 393.509 1.467 40 0 GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306127586 209096836 /nfs/dbraw/zinc/09/68/36/209096836.db2.gz GCXMDUXXGYQLEY-OALUTQOASA-N 0 3 388.475 1.907 40 0 GDABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]1O ZINC000012483562 560212300 /nfs/dbraw/zinc/21/23/00/560212300.db2.gz CWBCNVWFAOXZFQ-OVYGPGRDSA-N 0 3 390.402 1.870 40 0 biogenic,in-vitro GDABHN 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1.703 40 0 GDABHN CN1CCN(CCC(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585112522 570943179 /nfs/dbraw/zinc/94/31/79/570943179.db2.gz QVAADUKXIWWSAL-FQEVSTJZSA-N 0 3 397.523 1.299 40 0 GDABHN CN(C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccc2)n1 ZINC000328964137 571047564 /nfs/dbraw/zinc/04/75/64/571047564.db2.gz BTKGMPDXFPWPAO-UHFFFAOYSA-N 0 3 376.464 1.795 40 0 GDABHN O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1)N1CCOCC1 ZINC000008299610 291111925 /nfs/dbraw/zinc/11/19/25/291111925.db2.gz BGEJBGRDZKTYDM-WDYCEAGBSA-N 0 3 397.479 1.220 40 0 biogenic,in-vitro GDABHN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2cccs2)C1 ZINC000306142499 209108446 /nfs/dbraw/zinc/10/84/46/209108446.db2.gz XAUOJCQSFIIQOR-FQEVSTJZSA-N 0 3 395.488 1.457 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1F ZINC000019214503 207107617 /nfs/dbraw/zinc/10/76/17/207107617.db2.gz RAANMOFMLDGBII-ZDUSSCGKSA-N 0 3 376.457 1.748 40 0 GDABHN c1cc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc2c1OCO2 ZINC000019346037 207116595 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GDABHN COc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000010111534 570781872 /nfs/dbraw/zinc/78/18/72/570781872.db2.gz ZOAOHGZSZWYURH-UHFFFAOYSA-N 0 3 391.493 1.568 40 0 GDABHN CN1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000216385783 531027362 /nfs/dbraw/zinc/02/73/62/531027362.db2.gz CTDRGZZLGSSOEF-UHFFFAOYSA-N 0 3 388.921 1.079 40 0 GDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O ZINC000242548678 531055563 /nfs/dbraw/zinc/05/55/63/531055563.db2.gz LTFPHXCXOHEUNL-OUCADQQQSA-N 0 3 376.272 1.468 40 0 GDABHN CN(C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccnc2)n1 ZINC000329013036 206241019 /nfs/dbraw/zinc/24/10/19/206241019.db2.gz MMPDAIUWWMYDGH-UHFFFAOYSA-N 0 3 378.436 1.828 40 0 GDABHN Cc1ccn(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)n1 ZINC000019238070 207111149 /nfs/dbraw/zinc/11/11/49/207111149.db2.gz RMLSUFWYOLVRBC-HNNXBMFYSA-N 0 3 384.484 1.059 40 0 GDABHN Cc1ccn(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)n1 ZINC000019238070 207111154 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C[C@@H](C(=O)NC(C)(C)CN1CCCCC1)N1C(=O)c2ccccc2S1(=O)=O ZINC000019717704 207153549 /nfs/dbraw/zinc/15/35/49/207153549.db2.gz NLDRGJUDDRZCAN-AWEZNQCLSA-N 0 3 393.509 1.600 40 0 GDABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCCC1 ZINC000096036834 208256370 /nfs/dbraw/zinc/25/63/70/208256370.db2.gz SAKBJTRCGLVJHZ-SFHVURJKSA-N 0 3 381.480 1.791 40 0 GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306127587 209097573 /nfs/dbraw/zinc/09/75/73/209097573.db2.gz GCXMDUXXGYQLEY-RBUKOAKNSA-N 0 3 388.475 1.907 40 0 GDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306125542 209098002 /nfs/dbraw/zinc/09/80/02/209098002.db2.gz CTMWLSVMVBTZOQ-JKSUJKDBSA-N 0 3 396.447 1.163 40 0 GDABHN Cn1cc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cn1 ZINC000096296440 209014497 /nfs/dbraw/zinc/01/44/97/209014497.db2.gz OUKUUGGOGKRIAA-INIZCTEOSA-N 0 3 381.436 1.743 40 0 biogenic,in-vitro GDABHN Cc1ccn(CCC(=O)N2CC[C@@H](O)[C@H]3[C@H](c4ccccc4)CN(C)[C@@H]3C2)n1 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ZINC000019074981 207101554 /nfs/dbraw/zinc/10/15/54/207101554.db2.gz ZMTWNQNIAXHYNI-UHFFFAOYSA-N 0 3 396.580 1.241 40 0 GDABHN CC(C)N(Cc1ccccc1)C(=O)CN1CCc2nnc([C@@H]3CCCN3)n2CC1 ZINC000019706306 207149942 /nfs/dbraw/zinc/14/99/42/207149942.db2.gz XVGNPMDAUBNDEP-IBGZPJMESA-N 0 3 396.539 1.998 40 0 GDABHN CN1CCc2nc([C@H]3CCN(C(=O)c4n[nH]c(=O)c5ccccc54)C3)ncc2C1 ZINC000019590631 207141989 /nfs/dbraw/zinc/14/19/89/207141989.db2.gz AFEDIJNITHUQAE-ZDUSSCGKSA-N 0 3 390.447 1.331 40 0 GDABHN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CCN(C)CC1 ZINC000019654837 207145673 /nfs/dbraw/zinc/14/56/73/207145673.db2.gz PVPQXDAQJBBRSH-OAHLLOKOSA-N 0 3 387.480 1.753 40 0 GDABHN CCc1cc(C(=O)NC(C)(C)CN2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714530 207152605 /nfs/dbraw/zinc/15/26/05/207152605.db2.gz UNYABHBKJOBULU-UHFFFAOYSA-N 0 3 387.484 1.179 40 0 GDABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1N1CCCC1=O ZINC000020456183 207194180 /nfs/dbraw/zinc/19/41/80/207194180.db2.gz JUWKRMKEXXRSTO-UHFFFAOYSA-N 0 3 381.498 1.586 40 0 GDABHN Cn1cc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cn1 ZINC000096243685 208292712 /nfs/dbraw/zinc/29/27/12/208292712.db2.gz VAFRFROQVSXFQQ-QGZVFWFLSA-N 0 3 384.484 1.129 40 0 GDABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)NCc1cccnc1 ZINC000096251053 208295603 /nfs/dbraw/zinc/29/56/03/208295603.db2.gz ZLWUALSCTQUIJY-KZNAEPCWSA-N 0 3 379.526 1.479 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccco4)C[C@H]32)cc1 ZINC000306132678 209101207 /nfs/dbraw/zinc/10/12/07/209101207.db2.gz LPDLTNYVQUOLPW-AEFFLSMTSA-N 0 3 378.432 1.584 40 0 GDABHN CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@]12CCN(Cc1cccs1)C2 ZINC000306129775 209100353 /nfs/dbraw/zinc/10/03/53/209100353.db2.gz IMNIZBZEHZGMAT-LJQANCHMSA-N 0 3 386.525 1.712 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCN(C)C ZINC000225869437 208982292 /nfs/dbraw/zinc/98/22/92/208982292.db2.gz CKHIHXOJUNGKAE-UHFFFAOYSA-N 0 3 397.541 1.480 40 0 GDABHN CCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(=O)OC)C2 ZINC000105312801 528990007 /nfs/dbraw/zinc/99/00/07/528990007.db2.gz XZKVDCDTYMPTBF-UHFFFAOYSA-N 0 3 382.482 1.345 40 0 GDABHN CN1CCC(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000113953245 536343692 /nfs/dbraw/zinc/34/36/92/536343692.db2.gz IAMVCGDNPZPPFO-OAHLLOKOSA-N 0 3 387.889 1.077 40 0 GDABHN Cn1cc(CN[C@@H]2C[C@H](Cn3cc(C4CC4)nn3)[C@@H](O)[C@H]2O)c2ccccc21 ZINC000225500644 560042529 /nfs/dbraw/zinc/04/25/29/560042529.db2.gz VRWVKCGNBVSNPG-NVGWVTIJSA-N 0 3 381.480 1.547 40 0 biogenic,in-vitro GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281234 570249417 /nfs/dbraw/zinc/24/94/17/570249417.db2.gz HQIQIFRTEHALII-HXUWFJFHSA-N 0 3 398.450 1.808 40 0 GDABHN CC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585288049 570259056 /nfs/dbraw/zinc/25/90/56/570259056.db2.gz UYSPSMBAZWMOOR-OAQYLSRUSA-N 0 3 376.497 1.756 40 0 GDABHN CN(CCc1ccccc1)C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585292299 570261557 /nfs/dbraw/zinc/26/15/57/570261557.db2.gz ZUMIVYJZCVNXNI-GGAORHGYSA-N 0 3 382.504 1.728 40 0 GDABHN Cc1ccccc1C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000036627020 570566152 /nfs/dbraw/zinc/56/61/52/570566152.db2.gz OIISGLIGEAHBGH-HNNXBMFYSA-N 0 3 381.480 1.500 40 0 GDABHN CN1CCC(CN2CC[C@]3(CCCN(C(=O)[C@@H]4[C@@H]5COC[C@@H]54)C3)C2=O)CC1 ZINC000585101017 570928477 /nfs/dbraw/zinc/92/84/77/570928477.db2.gz VQNVGXYQESQEOL-NYUBLWNDSA-N 0 3 375.513 1.062 40 0 GDABHN COc1cccc(CN2CCC[C@H](Cn3nnc4c3nc(C)[nH]c4=O)C2)c1OC ZINC000019286485 210236237 /nfs/dbraw/zinc/23/62/37/210236237.db2.gz KSVCIRSVSFUAQT-AWEZNQCLSA-N 0 3 398.467 1.752 40 0 GDABHN COc1ccc(C)cc1C[N@@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019133568 210227449 /nfs/dbraw/zinc/22/74/49/210227449.db2.gz GIFADJZQCDKSKD-UHFFFAOYSA-N 0 3 384.480 1.937 40 0 GDABHN CC(=O)N1CC[C@@H](c2nn(CCNC(=O)[C@H](C)N3CCCC3)c3ncccc23)C1 ZINC000019080321 210224293 /nfs/dbraw/zinc/22/42/93/210224293.db2.gz YGLSUKFIQRIKKM-DOTOQJQBSA-N 0 3 398.511 1.368 40 0 GDABHN C[C@]1(N(CCN)S(=O)(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000575423793 532013775 /nfs/dbraw/zinc/01/37/75/532013775.db2.gz RGIGWPVXBXZMGA-KRWDZBQOSA-N 0 3 382.507 1.366 40 0 GDABHN COc1ccccc1OCCNC[C@@H](O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000001536931 209332626 /nfs/dbraw/zinc/33/26/26/209332626.db2.gz LVEXHFZHOIWIIP-OAHLLOKOSA-N 0 3 380.466 1.353 40 0 world GDABHN CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000054360978 212058961 /nfs/dbraw/zinc/05/89/61/212058961.db2.gz ZSFIFFVPSZEZOB-ZSOIEALJSA-N 0 3 377.422 1.129 40 0 GDABHN O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12)C1CC1 ZINC000306142759 212055572 /nfs/dbraw/zinc/05/55/72/212055572.db2.gz XIPCNTOEMIPSGU-POZUXBRTSA-N 0 3 375.494 1.697 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306134699 212050422 /nfs/dbraw/zinc/05/04/22/212050422.db2.gz NVMDDZNVWYIOFW-ZWKOTPCHSA-N 0 3 391.479 1.246 40 0 GDABHN Cn1cc(CN2CCC(n3cnc4ncc(-c5cnn(C)c5)nc43)CC2)cn1 ZINC000306125422 212044538 /nfs/dbraw/zinc/04/45/38/212044538.db2.gz CQECGWLCJIGLKA-UHFFFAOYSA-N 0 3 377.456 1.797 40 0 GDABHN CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000257210615 212004133 /nfs/dbraw/zinc/00/41/33/212004133.db2.gz BVKYCQDVNKYZIT-UHFFFAOYSA-N 0 3 384.484 1.137 40 0 GDABHN CCOC(=O)[C@@H]1C[C@]23C=C[C@]1(O)[C@H]1Oc4c5c(ccc4O)C[C@H]2N(C)CC[C@]513 ZINC000096316431 211333043 /nfs/dbraw/zinc/33/30/43/211333043.db2.gz DLIVKNRHHSVJIA-NIDNZAGZSA-N 0 3 383.444 1.522 40 0 biogenic,in-vitro GDABHN COCCN(C)[C@@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074194 211299274 /nfs/dbraw/zinc/29/92/74/211299274.db2.gz OVYRGDBYVMDOKR-INIZCTEOSA-N 0 3 386.496 1.915 40 0 GDABHN CN1CC[C@H](c2nn(CCNC(=O)COc3ccccc3)c3nccnc23)C1 ZINC000072391632 211110005 /nfs/dbraw/zinc/11/00/05/211110005.db2.gz MEVSUQVDLLKQLF-HNNXBMFYSA-N 0 3 380.452 1.441 40 0 GDABHN CCC(=O)N1CC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019700779 210284105 /nfs/dbraw/zinc/28/41/05/210284105.db2.gz GOOHTFJZLKQFQH-SFHVURJKSA-N 0 3 398.507 1.626 40 0 GDABHN COc1cccc(N2CCC(O)(CN3CCO[C@@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585282132 570250022 /nfs/dbraw/zinc/25/00/22/570250022.db2.gz AOEFIUDQELEGRJ-HXUWFJFHSA-N 0 3 391.512 1.206 40 0 GDABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2cccnc2)C1 ZINC000585286213 570255492 /nfs/dbraw/zinc/25/54/92/570255492.db2.gz XQBTVXAFFWGYOC-PKOBYXMFSA-N 0 3 375.856 1.463 40 0 GDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801677 570281679 /nfs/dbraw/zinc/28/16/79/570281679.db2.gz FLIOQZPDDXMGML-LSDHHAIUSA-N 0 3 378.860 1.294 40 0 GDABHN CN1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000113959128 570336862 /nfs/dbraw/zinc/33/68/62/570336862.db2.gz ZCFXLMDFLADRDY-UHFFFAOYSA-N 0 3 379.526 1.826 40 0 GDABHN C[C@H]1CN(C2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)C[C@H](C)O1 ZINC000036741485 570569456 /nfs/dbraw/zinc/56/94/56/570569456.db2.gz VHEUYKBDTVEUCD-IRXDYDNUSA-N 0 3 375.517 1.387 40 0 GDABHN CCn1nc(CC(=O)N(CCN(C)C)Cc2cccnc2)c2ccccc2c1=O ZINC000012222271 570627915 /nfs/dbraw/zinc/62/79/15/570627915.db2.gz UTXBRWYSAQKXGY-UHFFFAOYSA-N 0 3 393.491 1.944 40 0 GDABHN Cc1c(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cnn1C ZINC000019553937 210261938 /nfs/dbraw/zinc/26/19/38/210261938.db2.gz ZKGPQPVXRWLKLJ-HNNXBMFYSA-N 0 3 376.486 1.080 40 0 GDABHN CC[C@@H]1CCCCN1CC(=O)N1CCc2nc([C@@H]3CCN(C(C)=O)C3)ncc2C1 ZINC000019500955 210254081 /nfs/dbraw/zinc/25/40/81/210254081.db2.gz BCZVTPAGEGVMRN-IEBWSBKVSA-N 0 3 399.539 1.962 40 0 GDABHN COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000017214742 210208011 /nfs/dbraw/zinc/20/80/11/210208011.db2.gz FDGBLPYHPVKNQR-CYBMUJFWSA-N 0 3 397.362 1.602 40 0 GDABHN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O ZINC000013673901 530558932 /nfs/dbraw/zinc/55/89/32/530558932.db2.gz NIBRZVSJYOFVIE-NSHDSACASA-N 0 3 377.894 1.181 40 0 GDABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)s1 ZINC000306138773 212052522 /nfs/dbraw/zinc/05/25/22/212052522.db2.gz SHAOBZKNMUFUOJ-IBGZPJMESA-N 0 3 388.493 1.360 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccccn4)C[C@H]32)cc1 ZINC000306136709 212051723 /nfs/dbraw/zinc/05/17/23/212051723.db2.gz QAVGTZUUWDIAJZ-MJGOQNOKSA-N 0 3 389.459 1.386 40 0 GDABHN CC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1 ZINC000306133179 212050028 /nfs/dbraw/zinc/05/00/28/212050028.db2.gz MEEBSKGISGBGPP-TZIWHRDSSA-N 0 3 384.480 1.758 40 0 GDABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccncc2)C1 ZINC000306127463 212046792 /nfs/dbraw/zinc/04/67/92/212046792.db2.gz FZCSPFJKVWWXGY-HXUWFJFHSA-N 0 3 395.488 1.457 40 0 GDABHN CS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125612 212045796 /nfs/dbraw/zinc/04/57/96/212045796.db2.gz CVOJLGYRACEUTO-VQIMIIECSA-N 0 3 393.509 1.467 40 0 GDABHN CS(=O)(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125611 212045262 /nfs/dbraw/zinc/04/52/62/212045262.db2.gz CVOJLGYRACEUTO-QFBILLFUSA-N 0 3 393.509 1.467 40 0 GDABHN COc1ncccc1CN1C[C@@H]2Cn3c(nnc3C(=O)NC3CCC3)C[C@@H]2C1 ZINC000306126773 212044740 /nfs/dbraw/zinc/04/47/40/212044740.db2.gz FEZWPURUBGCFOS-HUUCEWRRSA-N 0 3 382.468 1.268 40 0 GDABHN CN(C)Cc1cnn(-c2ccccc2C(=O)NCCCN2CCN(C)CC2)c1 ZINC000257243806 212009314 /nfs/dbraw/zinc/00/93/14/212009314.db2.gz IIQMTOCMSCEFNL-UHFFFAOYSA-N 0 3 384.528 1.301 40 0 GDABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cnc4ccccn42)C3)CC1 ZINC000096075639 211298852 /nfs/dbraw/zinc/29/88/52/211298852.db2.gz HHUIRHMKZVWWTN-AVRDEDQJSA-N 0 3 397.523 1.593 40 0 GDABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056101 211298282 /nfs/dbraw/zinc/29/82/82/211298282.db2.gz URBFGEYPYNITFY-PXNSSMCTSA-N 0 3 383.500 1.017 40 0 GDABHN Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)c1 ZINC000019710804 210286252 /nfs/dbraw/zinc/28/62/52/210286252.db2.gz PEFTVZGAFVQPJJ-INIZCTEOSA-N 0 3 375.498 1.399 40 0 GDABHN CN(Cc1ccc2ncccc2c1)C(=O)C1CN(C(=O)C2CCN(C)CC2)C1 ZINC000019747431 210291945 /nfs/dbraw/zinc/29/19/45/210291945.db2.gz VBFKGANUPIADQR-UHFFFAOYSA-N 0 3 380.492 1.993 40 0 GDABHN Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@@H]4CCCN4)n3CC2)c1 ZINC000019706425 210284622 /nfs/dbraw/zinc/28/46/22/210284622.db2.gz JZPNYURNPNBUGQ-AWEZNQCLSA-N 0 3 379.461 1.397 40 0 GDABHN CN(CCC(=O)N1CCC[C@@H]1c1nnc2n1CCNCC2)c1cccc(F)c1 ZINC000019706392 210283803 /nfs/dbraw/zinc/28/38/03/210283803.db2.gz CBACDYGPROXRHE-QGZVFWFLSA-N 0 3 386.475 1.753 40 0 GDABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)c3cnn(C)c3)c2)CC1 ZINC000019698339 210280749 /nfs/dbraw/zinc/28/07/49/210280749.db2.gz QMPOQHAJBVXUPA-HXUWFJFHSA-N 0 3 396.495 1.769 40 0 GDABHN COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN(C)C)c1 ZINC000408710256 533508615 /nfs/dbraw/zinc/50/86/15/533508615.db2.gz VCAZHDOWWAVUMS-UHFFFAOYSA-N 0 3 398.463 1.242 40 0 GDABHN Cc1noc(C)c1CN1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251135 136185693 /nfs/dbraw/zinc/18/56/93/136185693.db2.gz HRGUPWBXEAETNZ-YLJYHZDGSA-N 0 3 384.484 1.641 40 0 GDABHN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21 ZINC000035442315 560079422 /nfs/dbraw/zinc/07/94/22/560079422.db2.gz VWXCDQOMNYUFQG-OTWHNJEPSA-N 0 3 390.503 1.505 40 0 biogenic,in-vitro GDABHN O[C@]1(CNCc2cccc(CN3CCOCC3)c2)CCN(c2ccccn2)C1 ZINC000585270832 570239051 /nfs/dbraw/zinc/23/90/51/570239051.db2.gz BNMWCUZYDKTSAS-QFIPXVFZSA-N 0 3 382.508 1.645 40 0 GDABHN Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CNCCO2)ccc1Cl ZINC000585270998 570239787 /nfs/dbraw/zinc/23/97/87/570239787.db2.gz CTLHOXPTRTVWGH-LJQANCHMSA-N 0 3 381.904 1.550 40 0 GDABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287894 570258967 /nfs/dbraw/zinc/25/89/67/570258967.db2.gz UQSHTXXZZILIQY-HXUWFJFHSA-N 0 3 396.459 1.889 40 0 GDABHN COCCn1nnnc1[C@H](c1ccccn1)N1CCN(C2CCCCC2)CC1 ZINC000022584616 570348282 /nfs/dbraw/zinc/34/82/82/570348282.db2.gz ANQWMAVDTMVXLW-IBGZPJMESA-N 0 3 385.516 1.754 40 0 GDABHN OC[C@H]1[C@@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 ZINC000033854099 570529808 /nfs/dbraw/zinc/52/98/08/570529808.db2.gz XVYLNHVEAOOEGI-PLWIEXRSSA-N 0 3 397.556 1.149 40 0 in-vitro GDABHN COC[C@@H]1CN(Cc2ccccn2)CC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000247883024 570717145 /nfs/dbraw/zinc/71/71/45/570717145.db2.gz QTLNUXOOEMLHHL-INIZCTEOSA-N 0 3 379.526 1.734 40 0 GDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585104235 570932837 /nfs/dbraw/zinc/93/28/37/570932837.db2.gz OHKOONIPELNVBU-RBUKOAKNSA-N 0 3 394.537 1.454 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585105129 570934546 /nfs/dbraw/zinc/93/45/46/570934546.db2.gz YXOANTPAAHEZPW-DLBZAZTESA-N 0 3 380.510 1.313 40 0 GDABHN OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000020465250 575367497 /nfs/dbraw/zinc/36/74/97/575367497.db2.gz AHIUPTAJRYKGTL-CLAROIROSA-N 0 3 386.467 1.463 40 0 biogenic,in-vitro GDABHN CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cn1 ZINC000019525068 210257008 /nfs/dbraw/zinc/25/70/08/210257008.db2.gz VLVPJXXKMMRWOL-INIZCTEOSA-N 0 3 376.486 1.255 40 0 GDABHN COc1ccc(CN2CCC[C@@H](Cn3nnc4c3nc(C)[nH]c4=O)C2)cc1OC ZINC000019286468 210235270 /nfs/dbraw/zinc/23/52/70/210235270.db2.gz SUQKLHZLYAXCIU-OAHLLOKOSA-N 0 3 398.467 1.752 40 0 GDABHN CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@H](C)N4CCCCC4)C3)ncc2C1 ZINC000019077739 210223454 /nfs/dbraw/zinc/22/34/54/210223454.db2.gz XUKVXXXFOYUFQY-DOTOQJQBSA-N 0 3 385.512 1.572 40 0 GDABHN COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O ZINC000013673903 530559162 /nfs/dbraw/zinc/55/91/62/530559162.db2.gz NIBRZVSJYOFVIE-LLVKDONJSA-N 0 3 377.894 1.181 40 0 GDABHN CN(Cc1ccccc1)S(=O)(=O)c1cncc(Cl)c1N1CCNCC1 ZINC000072210749 530806111 /nfs/dbraw/zinc/80/61/11/530806111.db2.gz CNGLOKAIHKFRMS-UHFFFAOYSA-N 0 3 380.901 1.965 40 0 GDABHN O=S(=O)(c1cncc(Br)c1N1CCNCC1)N1CCCCC1 ZINC000072210884 530806117 /nfs/dbraw/zinc/80/61/17/530806117.db2.gz VJERPHZBBDXQDL-UHFFFAOYSA-N 0 3 389.319 1.428 40 0 GDABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306133300 212049979 /nfs/dbraw/zinc/04/99/79/212049979.db2.gz MHXKAZGMKDXGHL-CABCVRRESA-N 0 3 395.463 1.593 40 0 GDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CCN(Cc3ccoc3)C1)C2 ZINC000306132102 212049296 /nfs/dbraw/zinc/04/92/96/212049296.db2.gz KYLIMMYGJLASGF-NRFANRHFSA-N 0 3 396.422 1.634 40 0 GDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306130956 212048928 /nfs/dbraw/zinc/04/89/28/212048928.db2.gz JTJCWSMTCAAEOL-KBPBESRZSA-N 0 3 381.436 1.203 40 0 GDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3ccoc3)C1)C2 ZINC000306132103 212048949 /nfs/dbraw/zinc/04/89/49/212048949.db2.gz KYLIMMYGJLASGF-OAQYLSRUSA-N 0 3 396.422 1.634 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CCN(Cc3ccco3)C[C@H]21 ZINC000306131453 212048678 /nfs/dbraw/zinc/04/86/78/212048678.db2.gz KEYILSCNPSFKDZ-AEFFLSMTSA-N 0 3 378.432 1.666 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cccnc4)C[C@H]32)cc1 ZINC000306123739 212045868 /nfs/dbraw/zinc/04/58/68/212045868.db2.gz AVCSKQHIGXZHDQ-OALUTQOASA-N 0 3 389.459 1.386 40 0 GDABHN COCCN1CCC(Cc2nccnc2N2CC3(CCOCC3)OC2=O)CC1 ZINC000257273137 212014855 /nfs/dbraw/zinc/01/48/55/212014855.db2.gz NFJZVNBZUGMCRJ-UHFFFAOYSA-N 0 3 390.484 1.883 40 0 GDABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)C1CCOCC1 ZINC000257255572 212012942 /nfs/dbraw/zinc/01/29/42/212012942.db2.gz KHZYLKFGYFFYAB-CGXNFDGLSA-N 0 3 388.508 1.965 40 0 GDABHN O=C(Cc1ccsc1)N1CC[C@]2(CC(C(=O)NCCN3CCCC3)=NO2)C1 ZINC000096225588 211318814 /nfs/dbraw/zinc/31/88/14/211318814.db2.gz KDMQNEUEXDZNOL-IBGZPJMESA-N 0 3 390.509 1.250 40 0 GDABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cnc4ccccn42)C3)CC1 ZINC000096075640 211299370 /nfs/dbraw/zinc/29/93/70/211299370.db2.gz HHUIRHMKZVWWTN-GCJKJVERSA-N 0 3 397.523 1.593 40 0 GDABHN CN(C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccncc2)n1 ZINC000329042597 570214457 /nfs/dbraw/zinc/21/44/57/570214457.db2.gz SOTCUHBUQNYJAX-UHFFFAOYSA-N 0 3 378.436 1.828 40 0 GDABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@H](O)COc1ccccc1 ZINC000585269811 570238628 /nfs/dbraw/zinc/23/86/28/570238628.db2.gz LCYSXVMPYHZVFV-IBGZPJMESA-N 0 3 375.465 1.946 40 0 GDABHN CS(=O)(=O)N1CCC(N2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585281960 570248388 /nfs/dbraw/zinc/24/83/88/570248388.db2.gz VQCODPZBXYPMRN-UHFFFAOYSA-N 0 3 386.489 1.455 40 0 GDABHN CCOc1ccccc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000113961350 570336665 /nfs/dbraw/zinc/33/66/65/570336665.db2.gz BIDYYKUQCPTUBV-UHFFFAOYSA-N 0 3 397.541 1.842 40 0 GDABHN CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@@H]1NC(=O)c1ccccc1 ZINC000071782984 570576113 /nfs/dbraw/zinc/57/61/13/570576113.db2.gz QJWLTVVWSLQPON-YFWFAHHUSA-N 0 3 384.432 1.598 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCN(C)CC1 ZINC000061030986 570742203 /nfs/dbraw/zinc/74/22/03/570742203.db2.gz GXIQRJDIEBJCNL-UHFFFAOYSA-N 0 3 379.526 1.994 40 0 GDABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)s1 ZINC000585104230 570933202 /nfs/dbraw/zinc/93/32/02/570933202.db2.gz NTHQCCFFMLEYKB-JKSUJKDBSA-N 0 3 379.526 1.838 40 0 GDABHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(N3CCCC3)c3nonc32)CC1=O ZINC000019717619 571039932 /nfs/dbraw/zinc/03/99/32/571039932.db2.gz NOWRFLRLAMNYHW-CYBMUJFWSA-N 0 3 386.456 1.172 40 0 GDABHN COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN2CCC[C@H]2C1 ZINC000245227657 231040233 /nfs/dbraw/zinc/04/02/33/231040233.db2.gz RPEMSTJEXQWAGN-DLBZAZTESA-N 0 3 376.892 1.842 40 0 GDABHN CC(=O)N1CC[C@H](c2nn(CCNC(=O)[C@@H](C)N3CCCC3)c3ncccc23)C1 ZINC000019080324 210224279 /nfs/dbraw/zinc/22/42/79/210224279.db2.gz YGLSUKFIQRIKKM-WBVHZDCISA-N 0 3 398.511 1.368 40 0 GDABHN NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228543 212059044 /nfs/dbraw/zinc/05/90/44/212059044.db2.gz JOFLLBVZXYGCBN-SFHVURJKSA-N 0 3 378.476 1.847 40 0 GDABHN COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCN(C)C)C2=O)c1OC ZINC000054360980 212058503 /nfs/dbraw/zinc/05/85/03/212058503.db2.gz IRJKDNLODSHWFY-UVTDQMKNSA-N 0 3 393.465 1.418 40 0 GDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306143975 212055002 /nfs/dbraw/zinc/05/50/02/212055002.db2.gz YSIWHQFAGACOGQ-UHFFFAOYSA-N 0 3 384.484 1.278 40 0 GDABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096262816 211326781 /nfs/dbraw/zinc/32/67/81/211326781.db2.gz YRJNOBTUMQRHMO-QFIPXVFZSA-N 0 3 399.539 1.900 40 0 GDABHN Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN([C@@H]3CCOC3)CC2)O1 ZINC000096243890 211325362 /nfs/dbraw/zinc/32/53/62/211325362.db2.gz GZUMAQOOOKOYSU-SJLPKXTDSA-N 0 3 397.479 1.704 40 0 GDABHN CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096036782 211294337 /nfs/dbraw/zinc/29/43/37/211294337.db2.gz HGSFZNZALQNDDA-GOSISDBHSA-N 0 3 383.496 1.940 40 0 GDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CCCc2ccccn2)CC3)C1 ZINC000072370897 211102166 /nfs/dbraw/zinc/10/21/66/211102166.db2.gz NBBCZGIYBSCCHO-QGZVFWFLSA-N 0 3 382.512 1.890 40 0 GDABHN Cc1cccc(CC(=O)N2CCC(N3C(=O)NC4(CCN(C)CC4)C3=O)CC2)c1 ZINC000072345339 211095396 /nfs/dbraw/zinc/09/53/96/211095396.db2.gz QDJRFQLZSJKJQA-UHFFFAOYSA-N 0 3 398.507 1.545 40 0 GDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)COc2ccccc2F)CC3)C1 ZINC000019709256 210284150 /nfs/dbraw/zinc/28/41/50/210284150.db2.gz RMKIYXKDJAQZPK-HNNXBMFYSA-N 0 3 387.459 1.690 40 0 GDABHN COc1cccc(CN2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244168 136185793 /nfs/dbraw/zinc/18/57/93/136185793.db2.gz DASGIURWGUZBMD-JOCHJYFZSA-N 0 3 396.491 1.996 40 0 GDABHN O=C(NCC1CC1)[C@]12CN(Cc3cccnc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251181 136185810 /nfs/dbraw/zinc/18/58/10/136185810.db2.gz COVCMNDOOQLEGF-DENIHFKCSA-N 0 3 392.507 1.869 40 0 GDABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1O ZINC000514288867 560033724 /nfs/dbraw/zinc/03/37/24/560033724.db2.gz IEXCVNXMHPIRAM-ISWURRPUSA-N 0 3 386.851 1.448 40 0 biogenic,in-vitro GDABHN Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CNCCO2)ccc1Cl ZINC000585270991 570239798 /nfs/dbraw/zinc/23/97/98/570239798.db2.gz CTLHOXPTRTVWGH-IBGZPJMESA-N 0 3 381.904 1.550 40 0 GDABHN Cc1ccc(OCC2(O)CCN(C3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000585281935 570248437 /nfs/dbraw/zinc/24/84/37/570248437.db2.gz URYDOGROJFLERM-UHFFFAOYSA-N 0 3 382.526 1.625 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000023421526 570361598 /nfs/dbraw/zinc/36/15/98/570361598.db2.gz KYQFLTWHJWNKBP-UHFFFAOYSA-N 0 3 379.526 1.606 40 0 GDABHN CNc1cc(N2CCC[C@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 ZINC000257245424 570488150 /nfs/dbraw/zinc/48/81/50/570488150.db2.gz IPKNMBZETJFHDB-FQEVSTJZSA-N 0 3 389.475 1.988 40 0 GDABHN CC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCc3ccccn3)cc2)[C@H](O)C1 ZINC000257268298 570488679 /nfs/dbraw/zinc/48/86/79/570488679.db2.gz MLAZVAPMJSTFAN-HMXCVIKNSA-N 0 3 385.464 1.093 40 0 GDABHN CC(C)c1cc(C(=O)N2CCCC[C@H]2CN(C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000019452639 210251208 /nfs/dbraw/zinc/25/12/08/210251208.db2.gz HHFXZIRXRVXYJT-JKSUJKDBSA-N 0 3 396.557 1.922 40 0 GDABHN O=C(COCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019375847 210246543 /nfs/dbraw/zinc/24/65/43/210246543.db2.gz VECJCNDGYIZNIH-SFHVURJKSA-N 0 3 392.463 1.879 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1F ZINC000019214501 210231688 /nfs/dbraw/zinc/23/16/88/210231688.db2.gz RAANMOFMLDGBII-CYBMUJFWSA-N 0 3 376.457 1.748 40 0 GDABHN CC(=O)N1CC[C@@H](c2nn(CCNC(=O)[C@@H](C)N3CCCC3)c3ncccc23)C1 ZINC000019080318 210223790 /nfs/dbraw/zinc/22/37/90/210223790.db2.gz YGLSUKFIQRIKKM-NVXWUHKLSA-N 0 3 398.511 1.368 40 0 GDABHN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)CN1CCCCCC1)C2 ZINC000019017206 210222161 /nfs/dbraw/zinc/22/21/61/210222161.db2.gz GPBLBMQJIAHEFG-IBGZPJMESA-N 0 3 385.512 1.921 40 0 GDABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3c[nH]nc3-c3ccccc3)O2)C1 ZINC000306144282 212054889 /nfs/dbraw/zinc/05/48/89/212054889.db2.gz ZBCGCFWIWQIZDU-CTNGQTDRSA-N 0 3 384.480 1.963 40 0 GDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306134947 212051821 /nfs/dbraw/zinc/05/18/21/212051821.db2.gz OCDNXFLDVUEVAH-HUUCEWRRSA-N 0 3 383.452 1.449 40 0 GDABHN Cc1ncc(CN2CC[C@@]3(C2)COCc2cnc(N4C[C@H](C)O[C@@H](C)C4)nc23)[nH]1 ZINC000306127619 212048018 /nfs/dbraw/zinc/04/80/18/212048018.db2.gz GDPBRUIKKWUZFO-VFCRVFHLSA-N 0 3 398.511 1.796 40 0 GDABHN CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)CC1 ZINC000257298500 212019916 /nfs/dbraw/zinc/01/99/16/212019916.db2.gz RLZCZDNEDHMSNB-FQEVSTJZSA-N 0 3 391.516 1.054 40 0 GDABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096144907 211308177 /nfs/dbraw/zinc/30/81/77/211308177.db2.gz PKVGTTCBJKVKHG-KRWDZBQOSA-N 0 3 386.500 1.375 40 0 GDABHN CN(C)C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 ZINC000019745693 210290841 /nfs/dbraw/zinc/29/08/41/210290841.db2.gz NWQHDJYZOCZTAR-IBGZPJMESA-N 0 3 396.491 1.503 40 0 GDABHN Cc1ncc(C(=O)N2CCC([C@H]3CCCCN3CC(=O)N(C)C)CC2)c(C)n1 ZINC000019746404 210290961 /nfs/dbraw/zinc/29/09/61/210290961.db2.gz JKEFTJUMYYRHJL-LJQANCHMSA-N 0 3 387.528 1.888 40 0 GDABHN COc1cc2c(c(CN3CCC4(CC3)NC(=O)N(C)C4=O)cn2C)c(OC)c1 ZINC000019715818 210287876 /nfs/dbraw/zinc/28/78/76/210287876.db2.gz DNTWRIMZYSMGGZ-UHFFFAOYSA-N 0 3 386.452 1.712 40 0 GDABHN CN(C)c1cccc(C(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)c1 ZINC000019709487 210283749 /nfs/dbraw/zinc/28/37/49/210283749.db2.gz DTGSMETZGSTALF-KRWDZBQOSA-N 0 3 382.512 1.852 40 0 GDABHN Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709230 210283592 /nfs/dbraw/zinc/28/35/92/210283592.db2.gz IKDQMUZSHWHYEC-QGZVFWFLSA-N 0 3 383.496 1.907 40 0 GDABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C(C)(C)C)C1)C2=O ZINC000019699851 210281770 /nfs/dbraw/zinc/28/17/70/210281770.db2.gz LATFTAGOBNXWAL-HNNXBMFYSA-N 0 3 378.517 1.818 40 0 GDABHN CN1CCC2(CC1)CN(CC(=O)NC[C@@H]1CCCO1)C(=O)c1ccccc1O2 ZINC000019588395 210273917 /nfs/dbraw/zinc/27/39/17/210273917.db2.gz BECVVTIOMKXCDF-INIZCTEOSA-N 0 3 387.480 1.281 40 0 GDABHN COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)C)C3)C2)c1 ZINC000514288836 560033759 /nfs/dbraw/zinc/03/37/59/560033759.db2.gz FWKWSCJNGWULRZ-VQTJNVASSA-N 0 3 387.524 1.434 40 0 biogenic,in-vitro GDABHN Cn1cc(CNC[C@@]2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)c2ccccc21 ZINC000107430554 560044962 /nfs/dbraw/zinc/04/49/62/560044962.db2.gz SDKBPGPFVBXZCV-CEQLMSFQSA-N 0 3 382.464 1.639 40 0 biogenic,in-vitro GDABHN COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000012483741 560212328 /nfs/dbraw/zinc/21/23/28/560212328.db2.gz WUELVLQEKKVLLL-CSEOROSGSA-N 0 3 384.476 1.532 40 0 biogenic,in-vitro GDABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585286214 570255792 /nfs/dbraw/zinc/25/57/92/570255792.db2.gz XQKRCOMPJPWDKE-FPOVZHCZSA-N 0 3 390.430 1.621 40 0 GDABHN CN1CCC(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000113965471 570337398 /nfs/dbraw/zinc/33/73/98/570337398.db2.gz IFSXRGXTFCOQRL-UHFFFAOYSA-N 0 3 389.468 1.721 40 0 GDABHN COc1ccc(C)cc1N([C@@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000220350465 570385612 /nfs/dbraw/zinc/38/56/12/570385612.db2.gz LNZBNMUXIKWTJL-AWEZNQCLSA-N 0 3 383.514 1.369 40 0 GDABHN CCOc1ccc(N([C@H](CC)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000220681416 570390123 /nfs/dbraw/zinc/39/01/23/570390123.db2.gz LSUUBNCADGMFDI-GOSISDBHSA-N 0 3 397.541 1.840 40 0 GDABHN O[C@@]1(CN2CCOCC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257317560 570487339 /nfs/dbraw/zinc/48/73/39/570487339.db2.gz VKGNQTXYRLDYRQ-JOCHJYFZSA-N 0 3 383.492 1.930 40 0 GDABHN CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@@H]1NC(=O)c1ccccc1 ZINC000071782985 570576004 /nfs/dbraw/zinc/57/60/04/570576004.db2.gz QJWLTVVWSLQPON-ZOCXKQACSA-N 0 3 384.432 1.598 40 0 GDABHN Cc1noc(CC(=O)N2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)n1 ZINC000585113573 570944242 /nfs/dbraw/zinc/94/42/42/570944242.db2.gz XLUXSTDOLOYKPX-SFHVURJKSA-N 0 3 376.482 1.733 40 0 GDABHN COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019551313 210261634 /nfs/dbraw/zinc/26/16/34/210261634.db2.gz FISYBAUJRFWYNC-AWEZNQCLSA-N 0 3 382.464 1.698 40 0 GDABHN CC(C)c1cc(C(=O)N2CCCC[C@H]2CN(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000019452643 210251045 /nfs/dbraw/zinc/25/10/45/210251045.db2.gz HHFXZIRXRVXYJT-HOTGVXAUSA-N 0 3 396.557 1.922 40 0 GDABHN O=C(c1ccc2c(c1)OCCO2)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019345495 210241112 /nfs/dbraw/zinc/24/11/12/210241112.db2.gz XNUGYABXUUTZJJ-UHFFFAOYSA-N 0 3 380.448 1.913 40 0 GDABHN N=C1NC(=N)N(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(Cl)cc2)N1 ZINC000004824902 530537242 /nfs/dbraw/zinc/53/72/42/530537242.db2.gz PQCVHDDRCNRMGD-ZDUSSCGKSA-N 0 3 378.845 1.136 40 0 GDABHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113967301 530892021 /nfs/dbraw/zinc/89/20/21/530892021.db2.gz VQYYRUAAQINALP-NSHDSACASA-N 0 3 375.441 1.330 40 0 GDABHN CCOC(=O)[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Br)cc1 ZINC000242548679 531055458 /nfs/dbraw/zinc/05/54/58/531055458.db2.gz LTFPHXCXOHEUNL-YRGRVCCFSA-N 0 3 376.272 1.468 40 0 GDABHN CC(C)(C)c1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)CC2)[n-]c(=O)n1 ZINC000257316591 212023525 /nfs/dbraw/zinc/02/35/25/212023525.db2.gz VGEYACRRDYLQBV-HXUWFJFHSA-N 0 3 376.501 1.933 40 0 GDABHN CN1CCC[C@@H](NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751300 210293214 /nfs/dbraw/zinc/29/32/14/210293214.db2.gz FTAJTDVUJCAXDU-QGZVFWFLSA-N 0 3 386.427 1.450 40 0 GDABHN CC1CCC(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)(N2CCCCC2)CC1 ZINC000019655252 210277869 /nfs/dbraw/zinc/27/78/69/210277869.db2.gz RRJWYHFDUCPTNZ-QPIRBTGLSA-N 0 3 399.601 1.656 40 0 GDABHN CCN1CCC[C@H]1CNC(=O)Cn1ncc2c3oc(C)cc3n(CC)c2c1=O ZINC000012183682 221162685 /nfs/dbraw/zinc/16/26/85/221162685.db2.gz RAQUGVILCQJYME-AWEZNQCLSA-N 0 3 385.468 1.873 40 0 GDABHN O=C(NCC1CC1)[C@]12CN(Cc3ccccn3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251180 136185817 /nfs/dbraw/zinc/18/58/17/136185817.db2.gz JRRSHKBCQLOEQT-DENIHFKCSA-N 0 3 392.507 1.869 40 0 GDABHN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CN ZINC000585262429 570230349 /nfs/dbraw/zinc/23/03/49/570230349.db2.gz BQHJDAZGWIOWNK-QCFAMHMHSA-N 0 3 387.455 1.282 40 0 GDABHN Cn1ccnc1COc1ccc(CN2CC[C@](O)(CN3CCOCC3)C2)cc1 ZINC000585270361 570239147 /nfs/dbraw/zinc/23/91/47/570239147.db2.gz VMDMCXJSXZMHFA-NRFANRHFSA-N 0 3 386.496 1.268 40 0 GDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585282379 570250158 /nfs/dbraw/zinc/25/01/58/570250158.db2.gz IPAGMUGSNOHXQO-FPOVZHCZSA-N 0 3 392.496 1.792 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287206 570256267 /nfs/dbraw/zinc/25/62/67/570256267.db2.gz KXWDKWMPEOIXBI-JOCHJYFZSA-N 0 3 390.524 1.883 40 0 GDABHN CN(Cc1ccccc1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585289880 570257770 /nfs/dbraw/zinc/25/77/70/570257770.db2.gz MACDNAHEWYRQNN-CTNGQTDRSA-N 0 3 388.895 1.949 40 0 GDABHN CN(CCc1ccccn1)C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585290531 570259110 /nfs/dbraw/zinc/25/91/10/570259110.db2.gz CFHCMZCSQVWHME-IRLDBZIGSA-N 0 3 383.492 1.123 40 0 GDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585291037 570259380 /nfs/dbraw/zinc/25/93/80/570259380.db2.gz IECCSTPPXPXYKE-MSOLQXFVSA-N 0 3 396.896 1.226 40 0 GDABHN COc1ccccc1CNC[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585291116 570259839 /nfs/dbraw/zinc/25/98/39/570259839.db2.gz KVBUHEQCCIYNNL-IRLDBZIGSA-N 0 3 384.476 1.352 40 0 GDABHN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCN(C)CC1 ZINC000225350519 570566241 /nfs/dbraw/zinc/56/62/41/570566241.db2.gz YNOUTFHKFLZVAM-QGZVFWFLSA-N 0 3 383.514 1.450 40 0 GDABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12 ZINC000036740444 570568827 /nfs/dbraw/zinc/56/88/27/570568827.db2.gz XLDDMSGGQVEUQR-UHFFFAOYSA-N 0 3 381.480 1.834 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1 ZINC000053790728 570675434 /nfs/dbraw/zinc/67/54/34/570675434.db2.gz PDEGOGLYWGSYKJ-MRXNPFEDSA-N 0 3 379.526 1.606 40 0 GDABHN CN1CCC2(CCCN(C(=O)c3ccsc3)[C@@H]2CNS(C)(=O)=O)CC1 ZINC000306138772 212054029 /nfs/dbraw/zinc/05/40/29/212054029.db2.gz SGVDWDKIYRKONO-OAHLLOKOSA-N 0 3 385.555 1.614 40 0 GDABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(C(C)C)c(=O)c2=O)CO3)s1 ZINC000306134236 212050974 /nfs/dbraw/zinc/05/09/74/212050974.db2.gz NGUJBNZGBZICLZ-SFHVURJKSA-N 0 3 376.482 1.531 40 0 GDABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccc(-n4ccnn4)cc3)O2)C1 ZINC000306137235 212050317 /nfs/dbraw/zinc/05/03/17/212050317.db2.gz QQCBFZVYUKXHEE-UXHICEINSA-N 0 3 385.468 1.153 40 0 GDABHN CCn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)cn1 ZINC000306129737 212047855 /nfs/dbraw/zinc/04/78/55/212047855.db2.gz ILJKCYBCKXGRPV-UHFFFAOYSA-N 0 3 383.500 1.615 40 0 GDABHN CN(C)CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257239288 212009159 /nfs/dbraw/zinc/00/91/59/212009159.db2.gz HORGVNCUJFOJGO-JAXLGGSGSA-N 0 3 389.540 1.238 40 0 GDABHN COCCN1CCC[C@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257201990 212002178 /nfs/dbraw/zinc/00/21/78/212002178.db2.gz AJZMMRRCDCHBCO-HNNXBMFYSA-N 0 3 376.457 1.808 40 0 GDABHN COc1ccccc1CNc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000328960104 209153870 /nfs/dbraw/zinc/15/38/70/209153870.db2.gz AWUCPKMYVDFBPQ-UHFFFAOYSA-N 0 3 378.480 1.977 40 0 GDABHN O=C(c1ccco1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952840 211373950 /nfs/dbraw/zinc/37/39/50/211373950.db2.gz FGZAIWUDGSMJFH-QFIPXVFZSA-N 0 3 394.475 1.919 40 0 GDABHN O=C(c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1)N1CCOCC1 ZINC000096267564 211328081 /nfs/dbraw/zinc/32/80/81/211328081.db2.gz WCLNANJARMKHST-KRWDZBQOSA-N 0 3 392.463 1.586 40 0 GDABHN CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1cnn(C)c1)CC2 ZINC000096260380 211326190 /nfs/dbraw/zinc/32/61/90/211326190.db2.gz MXYKZPJIQDYRNB-UHFFFAOYSA-N 0 3 382.512 1.718 40 0 GDABHN COCCN1CC[C@H](c2nnc3ccc(C(=O)NCCc4ccncc4)cn32)C1 ZINC000096156140 211313085 /nfs/dbraw/zinc/31/30/85/211313085.db2.gz ZTOXXKXZKHWRRO-KRWDZBQOSA-N 0 3 394.479 1.533 40 0 GDABHN CN1CC[C@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3nccnc23)C1 ZINC000072391672 211110912 /nfs/dbraw/zinc/11/09/12/211110912.db2.gz KPMMHZYAHXGZOC-AWEZNQCLSA-N 0 3 398.442 1.580 40 0 GDABHN O=S1(=O)CC[C@@H](NCCn2cncc2-c2cnc(N3CCCCC3)s2)C1 ZINC000019719449 210289650 /nfs/dbraw/zinc/28/96/50/210289650.db2.gz DWYVHGFAIYYYRC-CQSZACIVSA-N 0 3 395.554 1.774 40 0 GDABHN CN(C)c1cc(N2CC[C@@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 ZINC000257344440 570488685 /nfs/dbraw/zinc/48/86/85/570488685.db2.gz 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ZINC000218202876 531027878 /nfs/dbraw/zinc/02/78/78/531027878.db2.gz NXLHIPYJIKYSSQ-VNHYZAJKSA-N 0 3 390.299 1.858 40 0 GDABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)cc1 ZINC000008299317 291110485 /nfs/dbraw/zinc/11/04/85/291110485.db2.gz WRIWDPONNJFXTN-WDYCEAGBSA-N 0 3 381.480 1.943 40 0 biogenic,in-vitro GDABHN Cc1ccccc1CN1CC[C@@]2(C1)Cn1c(nnc1C(=O)NC1CC1)CN2C ZINC000306135420 212051208 /nfs/dbraw/zinc/05/12/08/212051208.db2.gz OQEDXPRJFBKDKR-OAQYLSRUSA-N 0 3 380.496 1.569 40 0 GDABHN CN(C)CCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2cccnc2)n1 ZINC000329069662 209159980 /nfs/dbraw/zinc/15/99/80/209159980.db2.gz YZAZKLDIIOMIBL-UHFFFAOYSA-N 0 3 377.452 1.190 40 0 GDABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cnn(C)c1)CC2 ZINC000096260566 211327408 /nfs/dbraw/zinc/32/74/08/211327408.db2.gz QRHGONMETZEQBL-UHFFFAOYSA-N 0 3 382.512 1.940 40 0 GDABHN COc1ccccc1CNCCn1nc([C@H]2CCN(C(C)=O)C2)c2nccnc21 ZINC000072391616 211109528 /nfs/dbraw/zinc/10/95/28/211109528.db2.gz FCBFLPHKJSKUPC-KRWDZBQOSA-N 0 3 394.479 1.961 40 0 GDABHN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccccc1 ZINC000019818032 210299854 /nfs/dbraw/zinc/29/98/54/210299854.db2.gz BAOGJRLPPPZHLY-MOPGFXCFSA-N 0 3 392.459 1.825 40 0 GDABHN CN(C)C(=O)Cn1cccc(C(=O)Nc2ccccc2CN2CCCC2)c1=O ZINC000019750161 210293299 /nfs/dbraw/zinc/29/32/99/210293299.db2.gz XPEQTEBOAZAAOL-UHFFFAOYSA-N 0 3 382.464 1.785 40 0 GDABHN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C1CCN(C)CC1 ZINC000019655130 210278011 /nfs/dbraw/zinc/27/80/11/210278011.db2.gz CQOXJLKRPQSGPT-HNNXBMFYSA-N 0 3 389.496 1.999 40 0 GDABHN Cn1cc(CN2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096251179 136185765 /nfs/dbraw/zinc/18/57/65/136185765.db2.gz IRSQKHFPUAUVHZ-WIYYLYMNSA-N 0 3 395.511 1.207 40 0 GDABHN O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O)Nc1ccccc1 ZINC000012603816 560213319 /nfs/dbraw/zinc/21/33/19/560213319.db2.gz ZIZAUQUEVYDUBK-KVPLUYHFSA-N 0 3 390.867 1.948 40 0 biogenic,in-vitro GDABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(OC)cc2)nn1 ZINC000008297686 565091041 /nfs/dbraw/zinc/09/10/41/565091041.db2.gz FQMLBUGOQJMVDH-SCTDSRPQSA-N 0 3 399.495 1.427 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281729 570248060 /nfs/dbraw/zinc/24/80/60/570248060.db2.gz QKTIWRDESMFDPV-IBGZPJMESA-N 0 3 382.888 1.793 40 0 GDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 ZINC000585284193 570253357 /nfs/dbraw/zinc/25/33/57/570253357.db2.gz VPEQCPWNJDTEMN-PMACEKPBSA-N 0 3 396.915 1.836 40 0 GDABHN Cc1cccc(N2CCC(O)(CN3CCO[C@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585285540 570254812 /nfs/dbraw/zinc/25/48/12/570254812.db2.gz ZMJCCOLUNDUNAH-FQEVSTJZSA-N 0 3 375.513 1.505 40 0 GDABHN CCOc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccccc3)CC[C@H]2O)cc1 ZINC000585286477 570255703 /nfs/dbraw/zinc/25/57/03/570255703.db2.gz REGKBIWCOHPINU-GGAORHGYSA-N 0 3 398.503 1.742 40 0 GDABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCOc2ccccc2)C1 ZINC000585290909 570259388 /nfs/dbraw/zinc/25/93/88/570259388.db2.gz HEKZYDXYHZLOCC-IRLDBZIGSA-N 0 3 384.476 1.222 40 0 GDABHN Cn1ccnc1COc1ccc(CNC[C@@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257322421 570487348 /nfs/dbraw/zinc/48/73/48/570487348.db2.gz WFXABQDGPJGCDG-NRFANRHFSA-N 0 3 394.479 1.520 40 0 GDABHN CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257277175 570488610 /nfs/dbraw/zinc/48/86/10/570488610.db2.gz NWTHTAXBZFQFCV-OAQYLSRUSA-N 0 3 393.503 1.572 40 0 GDABHN C[C@H]1C[C@H](C)CN(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225088420 570547938 /nfs/dbraw/zinc/54/79/38/570547938.db2.gz VTRPQUCVZIMZKB-GJZGRUSLSA-N 0 3 393.509 1.596 40 0 GDABHN C[C@@H]1CN(C2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)C[C@@H](C)O1 ZINC000036741486 570569222 /nfs/dbraw/zinc/56/92/22/570569222.db2.gz VHEUYKBDTVEUCD-IAGOWNOFSA-N 0 3 375.517 1.387 40 0 GDABHN COCCNC(=S)N(CCN(C)C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004133484 570618062 /nfs/dbraw/zinc/61/80/62/570618062.db2.gz ZUYDLYFKLRGBBB-UHFFFAOYSA-N 0 3 376.526 1.721 40 0 GDABHN O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1 ZINC000247325215 570715112 /nfs/dbraw/zinc/71/51/12/570715112.db2.gz NEKAVNPGOBXPTJ-HNNXBMFYSA-N 0 3 378.473 1.939 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585104263 570932899 /nfs/dbraw/zinc/93/28/99/570932899.db2.gz OWLXNXXDBHVGMK-ROUUACIJSA-N 0 3 394.537 1.703 40 0 GDABHN CCN1C[C@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1=O ZINC000019526854 210256614 /nfs/dbraw/zinc/25/66/14/210256614.db2.gz DUZDSMPUWPHXOV-JKSUJKDBSA-N 0 3 398.511 1.177 40 0 GDABHN CN1CCN(CCCNC(=O)c2cccc(I)c2)CC1 ZINC000042298522 530628556 /nfs/dbraw/zinc/62/85/56/530628556.db2.gz DGIFVYBMMGANNG-UHFFFAOYSA-N 0 3 387.265 1.659 40 0 GDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218202808 531027828 /nfs/dbraw/zinc/02/78/28/531027828.db2.gz NXLHIPYJIKYSSQ-IPYPFGDCSA-N 0 3 390.299 1.858 40 0 GDABHN Cc1ccc(Cl)cc1S(=O)(=O)N(CCN)[C@]1(C)CCS(=O)(=O)C1 ZINC000575426735 532013950 /nfs/dbraw/zinc/01/39/50/532013950.db2.gz ZCGCTRRAQDNUOU-CQSZACIVSA-N 0 3 380.919 1.175 40 0 GDABHN NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228542 212058909 /nfs/dbraw/zinc/05/89/09/212058909.db2.gz JOFLLBVZXYGCBN-GOSISDBHSA-N 0 3 378.476 1.847 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CCN(Cc3ccncc3)C1)C2 ZINC000306136786 212050493 /nfs/dbraw/zinc/05/04/93/212050493.db2.gz QDJAWMDWVIACGO-JOCHJYFZSA-N 0 3 389.459 1.297 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccco4)C[C@@H]32)cc1 ZINC000306132679 212049960 /nfs/dbraw/zinc/04/99/60/212049960.db2.gz LPDLTNYVQUOLPW-FUHWJXTLSA-N 0 3 378.432 1.584 40 0 GDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(C)n2)CC1 ZINC000306126460 212045518 /nfs/dbraw/zinc/04/55/18/212045518.db2.gz DWMZAUUWSCXMTK-UHFFFAOYSA-N 0 3 398.511 1.586 40 0 GDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257258571 212013350 /nfs/dbraw/zinc/01/33/50/212013350.db2.gz KUPICTUEURXEBB-CGXNFDGLSA-N 0 3 397.475 1.865 40 0 GDABHN CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](CN3CCN(C)CC3)CO2)C1 ZINC000096228443 211321650 /nfs/dbraw/zinc/32/16/50/211321650.db2.gz ZMAHLKYGWCRYJN-GHTZIAJQSA-N 0 3 389.544 1.470 40 0 GDABHN CC(=O)NC1(CC(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)CCCCC1 ZINC000019710682 210286192 /nfs/dbraw/zinc/28/61/92/210286192.db2.gz MYWVYJVVNOPZGN-MRXNPFEDSA-N 0 3 388.516 1.316 40 0 GDABHN O=C(COc1ccccc1F)N1CC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000019748003 210291472 /nfs/dbraw/zinc/29/14/72/210291472.db2.gz AYQAQODVUJRMLW-MRXNPFEDSA-N 0 3 377.460 1.655 40 0 GDABHN Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)c1 ZINC000019710803 210286382 /nfs/dbraw/zinc/28/63/82/210286382.db2.gz PEFTVZGAFVQPJJ-MRXNPFEDSA-N 0 3 375.498 1.399 40 0 GDABHN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CCC(=O)N2CCOCC2)n1 ZINC000019690931 210282256 /nfs/dbraw/zinc/28/22/56/210282256.db2.gz JSEYLMXXSVNAJD-IBGZPJMESA-N 0 3 396.495 1.815 40 0 GDABHN CCc1ncc(CN2C[C@H](C(N)=O)[C@@H](c3ccc(CNC(C)=O)cc3)C2)cn1 ZINC000019698698 210281738 /nfs/dbraw/zinc/28/17/38/210281738.db2.gz YADNXXULAYNKMC-MOPGFXCFSA-N 0 3 381.480 1.376 40 0 GDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O ZINC000514289068 560033234 /nfs/dbraw/zinc/03/32/34/560033234.db2.gz QNAPCKUVJSYNCT-OKZBNKHCSA-N 0 3 396.534 1.329 40 0 biogenic,in-vitro GDABHN COc1ccc(C(=O)N[C@H]2CO[C@@H](CN(C)CCc3ccccc3)[C@@H]2O)cc1 ZINC000514288798 560033917 /nfs/dbraw/zinc/03/39/17/560033917.db2.gz DGTSYNMUISJCLE-PCCBWWKXSA-N 0 3 384.476 1.728 40 0 biogenic,in-vitro GDABHN CN1CCN(Cc2nc(C3(O)CCN(C4CCOCC4)CC3)cs2)CC1 ZINC000225472017 560043185 /nfs/dbraw/zinc/04/31/85/560043185.db2.gz XVXAPZUCIHOOAO-UHFFFAOYSA-N 0 3 380.558 1.353 40 0 biogenic,in-vitro GDABHN CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCc3ccccc31)N2C ZINC000035442398 560079336 /nfs/dbraw/zinc/07/93/36/560079336.db2.gz AZZPNXFOIDZDOQ-DSKINZAPSA-N 0 3 384.524 1.637 40 0 biogenic,in-vitro GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282484 570250074 /nfs/dbraw/zinc/25/00/74/570250074.db2.gz KYRPNPBUZDHQCM-FQEVSTJZSA-N 0 3 380.460 1.669 40 0 GDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585282704 570250993 /nfs/dbraw/zinc/25/09/93/570250993.db2.gz NAICVYOATJHUMD-FPOVZHCZSA-N 0 3 392.496 1.792 40 0 GDABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCc2ccccn2)[C@@H](O)C1 ZINC000585283216 570251463 /nfs/dbraw/zinc/25/14/63/570251463.db2.gz DHHVWXQWOYJAHF-ICSRJNTNSA-N 0 3 389.883 1.505 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284284 570253257 /nfs/dbraw/zinc/25/32/57/570253257.db2.gz WOOYHOMWZWSVOK-FQEVSTJZSA-N 0 3 398.450 1.808 40 0 GDABHN COc1ccccc1CNC[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585284981 570254175 /nfs/dbraw/zinc/25/41/75/570254175.db2.gz MSOIBORIAIBSND-JTHBVZDNSA-N 0 3 398.503 1.742 40 0 GDABHN Cc1cc(N2CC[C@@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257250895 570487830 /nfs/dbraw/zinc/48/78/30/570487830.db2.gz JOMGYUBVIAARHN-JOCHJYFZSA-N 0 3 397.523 1.348 40 0 GDABHN COc1cc(CN2CCC[C@]2(C)C(=O)NCCO)ccc1OCCN(C)C ZINC000257246582 570488245 /nfs/dbraw/zinc/48/82/45/570488245.db2.gz IUTIYTOFHLGICM-HXUWFJFHSA-N 0 3 379.501 1.099 40 0 GDABHN CN(Cc1ccc(OCCCO)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000257286936 570488867 /nfs/dbraw/zinc/48/88/67/570488867.db2.gz PNSFYTIORLZFQB-NRFANRHFSA-N 0 3 386.496 1.701 40 0 GDABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)n(C)n1 ZINC000585109819 570938637 /nfs/dbraw/zinc/93/86/37/570938637.db2.gz WZLDBBSEFGLGHV-BDDYBESOSA-N 0 3 380.492 1.886 40 0 GDABHN COc1cccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1OC ZINC000019568070 210265908 /nfs/dbraw/zinc/26/59/08/210265908.db2.gz BOKWCOZTGJCJFB-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN COc1cccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1OC ZINC000019568070 210265912 /nfs/dbraw/zinc/26/59/12/210265912.db2.gz BOKWCOZTGJCJFB-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C[C@@H]2CC(C)(C)OC2=O)C3)C1 ZINC000019460949 210250689 /nfs/dbraw/zinc/25/06/89/210250689.db2.gz WFJXFSUGYKFXCX-HUUCEWRRSA-N 0 3 386.496 1.902 40 0 GDABHN O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019403665 210247942 /nfs/dbraw/zinc/24/79/42/210247942.db2.gz RYWDYXQHRLQGLH-GOSISDBHSA-N 0 3 394.479 1.331 40 0 GDABHN c1cc(CN2CCCC[C@H]2CCN2CCOCC2)nc(N2CCOCC2)n1 ZINC000019404047 210247534 /nfs/dbraw/zinc/24/75/34/210247534.db2.gz MJKULCRDAHRFIT-IBGZPJMESA-N 0 3 375.517 1.390 40 0 GDABHN O=C(COCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019375845 210246605 /nfs/dbraw/zinc/24/66/05/210246605.db2.gz VECJCNDGYIZNIH-GOSISDBHSA-N 0 3 392.463 1.879 40 0 GDABHN C[C@@H](C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1)N1CCCC1=O ZINC000019077595 210224285 /nfs/dbraw/zinc/22/42/85/210224285.db2.gz GRCVEONNVOVGTJ-JKSUJKDBSA-N 0 3 398.511 1.320 40 0 GDABHN Cc1cncc2cccc(S(=O)(=O)N3CCCN(C(=O)CN)C[C@@H]3C)c12 ZINC000016052817 210184083 /nfs/dbraw/zinc/18/40/83/210184083.db2.gz CMKMGFAUKPAOMG-AWEZNQCLSA-N 0 3 376.482 1.113 40 0 in-vitro GDABHN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2cccs2)C1 ZINC000306142500 212055491 /nfs/dbraw/zinc/05/54/91/212055491.db2.gz XAUOJCQSFIIQOR-HXUWFJFHSA-N 0 3 395.488 1.457 40 0 GDABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)s1 ZINC000306144072 212054561 /nfs/dbraw/zinc/05/45/61/212054561.db2.gz YVLKWRPTLRNWDT-IBGZPJMESA-N 0 3 390.509 1.606 40 0 GDABHN Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306140009 212053136 /nfs/dbraw/zinc/05/31/36/212053136.db2.gz UGTDUENRGVJKCS-QFIPXVFZSA-N 0 3 396.491 1.607 40 0 GDABHN CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@]12CCN(Cc1ccsc1)C2 ZINC000306135228 212051922 /nfs/dbraw/zinc/05/19/22/212051922.db2.gz OLHQRNUHFXPLRE-LJQANCHMSA-N 0 3 388.541 1.958 40 0 GDABHN Cc1cnc(N2CC[C@H](NCC3CC3)[C@@]3(CC(C(=O)N4CCCC4)=NO3)C2)nc1 ZINC000306133306 212049534 /nfs/dbraw/zinc/04/95/34/212049534.db2.gz MHYOYFJRGZNZRW-GHTZIAJQSA-N 0 3 398.511 1.501 40 0 GDABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)NC3CC3)CCO2)C1=O ZINC000306128442 212047318 /nfs/dbraw/zinc/04/73/18/212047318.db2.gz HAJWPXMPADZNPG-GHTZIAJQSA-N 0 3 386.496 1.117 40 0 GDABHN Cc1[nH]ncc1CN1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257318236 212024432 /nfs/dbraw/zinc/02/44/32/212024432.db2.gz VNAXHFNDUFFUNF-SFHVURJKSA-N 0 3 378.860 1.897 40 0 GDABHN COc1c(C)cccc1C(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391675 211109644 /nfs/dbraw/zinc/10/96/44/211109644.db2.gz AEKZMDWQOACGAD-HNNXBMFYSA-N 0 3 394.479 1.992 40 0 GDABHN C[C@]12CC[C@H](C[C@@H]1C(=O)NCCN1CCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342631 211093419 /nfs/dbraw/zinc/09/34/19/211093419.db2.gz NWGPNRVUYIBRGW-VIDZHXABSA-N 0 3 397.523 1.972 40 0 GDABHN CN1CCC[C@@H](NC(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)C1 ZINC000019749992 210293658 /nfs/dbraw/zinc/29/36/58/210293658.db2.gz MZPHFKKMRZPVSD-MRXNPFEDSA-N 0 3 386.427 1.450 40 0 GDABHN Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2nnc3n2CCNCC3)CC1 ZINC000019709406 210283890 /nfs/dbraw/zinc/28/38/90/210283890.db2.gz HYPOCYFPRKWAEF-UHFFFAOYSA-N 0 3 393.488 1.440 40 0 GDABHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000019581957 210269940 /nfs/dbraw/zinc/26/99/40/210269940.db2.gz IZMQKWPBZZYKMC-HOTGVXAUSA-N 0 3 394.541 1.676 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224313813 136206702 /nfs/dbraw/zinc/20/67/02/136206702.db2.gz ZEKVKAZERHOXBG-UHFFFAOYSA-N 0 3 377.470 1.062 40 0 GDABHN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3cccs3)CN21 ZINC000022936962 560091862 /nfs/dbraw/zinc/09/18/62/560091862.db2.gz VKUFMZSQOWYUCI-UXLLHSPISA-N 0 3 378.542 1.428 40 0 biogenic,in-vitro GDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000585274207 570243377 /nfs/dbraw/zinc/24/33/77/570243377.db2.gz UPRPXSICFSSELP-HSZRJFAPSA-N 0 3 396.535 1.987 40 0 GDABHN CN(CCc1ccccn1)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585286186 570255783 /nfs/dbraw/zinc/25/57/83/570255783.db2.gz WUQFGUOCRIFSRG-UNMCSNQZSA-N 0 3 383.492 1.123 40 0 GDABHN CC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585288048 570259067 /nfs/dbraw/zinc/25/90/67/570259067.db2.gz UYSPSMBAZWMOOR-NRFANRHFSA-N 0 3 376.497 1.756 40 0 GDABHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220661416 570390204 /nfs/dbraw/zinc/39/02/04/570390204.db2.gz RPIUPSCXNRTTMS-QGZVFWFLSA-N 0 3 383.514 1.450 40 0 GDABHN CN1CCN(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)CC1 ZINC000044913744 570642911 /nfs/dbraw/zinc/64/29/11/570642911.db2.gz CSJYSCKKGJUKDY-UHFFFAOYSA-N 0 3 376.520 1.791 40 0 GDABHN CN(C)CCN(Cc1cccnc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000012360971 570645576 /nfs/dbraw/zinc/64/55/76/570645576.db2.gz PBJZCCOVOAMWSG-UHFFFAOYSA-N 0 3 379.464 1.461 40 0 GDABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585103767 570929207 /nfs/dbraw/zinc/92/92/07/570929207.db2.gz JAIUJKVTWMACMO-ZWKOTPCHSA-N 0 3 394.537 1.621 40 0 GDABHN COc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019551673 210261932 /nfs/dbraw/zinc/26/19/32/210261932.db2.gz APEMVOLAGOXXNK-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1 ZINC000019551673 210261934 /nfs/dbraw/zinc/26/19/34/210261934.db2.gz APEMVOLAGOXXNK-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN CC(=O)NCCn1nc([C@H]2CCN(C(=O)[C@H](C)N3CCCC3)C2)c2cccnc21 ZINC000019077613 210222942 /nfs/dbraw/zinc/22/29/42/210222942.db2.gz WNTPKAIRFIMEQA-RDJZCZTQSA-N 0 3 398.511 1.368 40 0 GDABHN Cn1c2ncn(CCNC(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000001579527 209333768 /nfs/dbraw/zinc/33/37/68/209333768.db2.gz WZOSCNGIFBVLPA-UHFFFAOYSA-N 0 3 389.459 1.813 40 0 GDABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)s1 ZINC000306138774 212053150 /nfs/dbraw/zinc/05/31/50/212053150.db2.gz SHAOBZKNMUFUOJ-LJQANCHMSA-N 0 3 388.493 1.360 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccccn4)C[C@H]32)cc1 ZINC000306136707 212050745 /nfs/dbraw/zinc/05/07/45/212050745.db2.gz QAVGTZUUWDIAJZ-HKUYNNGSSA-N 0 3 389.459 1.386 40 0 GDABHN O=S(=O)(c1cn[nH]c1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257342233 212027583 /nfs/dbraw/zinc/02/75/83/212027583.db2.gz ZNRUJYUKNBQZQZ-AWEZNQCLSA-N 0 3 378.445 1.047 40 0 GDABHN COc1cccc(CNc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c1 ZINC000329007205 209156185 /nfs/dbraw/zinc/15/61/85/209156185.db2.gz LIVZKPOAENQMRW-UHFFFAOYSA-N 0 3 378.480 1.977 40 0 GDABHN COc1ccc(OC)c(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000220223920 211785147 /nfs/dbraw/zinc/78/51/47/211785147.db2.gz JZPSRJFCSGFVGV-ZDUSSCGKSA-N 0 3 399.513 1.069 40 0 GDABHN CN(C)CCN(C)C(=O)CN1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327568 211091942 /nfs/dbraw/zinc/09/19/42/211091942.db2.gz AIHVHDGWQFAYHN-NRFANRHFSA-N 0 3 387.480 1.423 40 0 GDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)COc2ccccc2F)CC3)C1 ZINC000019709255 210284173 /nfs/dbraw/zinc/28/41/73/210284173.db2.gz RMKIYXKDJAQZPK-OAHLLOKOSA-N 0 3 387.459 1.690 40 0 GDABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1C ZINC000019571390 210268548 /nfs/dbraw/zinc/26/85/48/210268548.db2.gz WBMIFHSPHMJLBB-UHFFFAOYSA-N 0 3 384.480 1.937 40 0 GDABHN COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1C ZINC000019571390 210268550 /nfs/dbraw/zinc/26/85/50/210268550.db2.gz WBMIFHSPHMJLBB-UHFFFAOYSA-N 0 3 384.480 1.937 40 0 GDABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCO)c(OC)c2)c1 ZINC000585262581 570230765 /nfs/dbraw/zinc/23/07/65/570230765.db2.gz UXQRCCQUACFJNU-QGZVFWFLSA-N 0 3 391.464 1.947 40 0 GDABHN Cc1ccccc1N1CCC(O)(CN2CCO[C@@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285534 570254980 /nfs/dbraw/zinc/25/49/80/570254980.db2.gz ZEOIHKPYOSEFKB-HXUWFJFHSA-N 0 3 375.513 1.505 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585287809 570259027 /nfs/dbraw/zinc/25/90/27/570259027.db2.gz SFTQQFAIRWABTN-HXUWFJFHSA-N 0 3 398.450 1.808 40 0 GDABHN COc1cc([C@@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc(OC)c1OC ZINC000022362970 570343186 /nfs/dbraw/zinc/34/31/86/570343186.db2.gz FTQDVFVRKDZVRX-MRXNPFEDSA-N 0 3 381.392 1.709 40 0 GDABHN CN1CCN([C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2O)CC1 ZINC000257302972 570488700 /nfs/dbraw/zinc/48/87/00/570488700.db2.gz SFFISNIRCQNIQF-YADHBBJMSA-N 0 3 382.508 1.453 40 0 GDABHN COc1cccc(-c2c3c(ccn(CCN(C)C)c3=O)nc3nc(C)nn32)c1 ZINC000040398501 570602379 /nfs/dbraw/zinc/60/23/79/570602379.db2.gz BMFRIVRJBVFWMU-UHFFFAOYSA-N 0 3 378.436 1.985 40 0 GDABHN COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000019593948 570929230 /nfs/dbraw/zinc/92/92/30/570929230.db2.gz RPEMSTJEXQWAGN-SJORKVTESA-N 0 3 376.892 1.842 40 0 GDABHN O=C(CCc1cccnc1)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103176 570931607 /nfs/dbraw/zinc/93/16/07/570931607.db2.gz FGUSQWUTDUQUJP-HXUWFJFHSA-N 0 3 387.524 1.869 40 0 GDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585105108 570934225 /nfs/dbraw/zinc/93/42/25/570934225.db2.gz YKESIKJERUBPTI-PMACEKPBSA-N 0 3 388.508 1.789 40 0 GDABHN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 ZINC000008298211 570950833 /nfs/dbraw/zinc/95/08/33/570950833.db2.gz XPFNBWCCNVOVFW-KSZLIROESA-N 0 3 383.496 1.532 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)CN4CCCC[C@@H]4C)CC3)ncc2C1 ZINC000019496340 210251807 /nfs/dbraw/zinc/25/18/07/210251807.db2.gz QBBHARKNZRZWHF-INIZCTEOSA-N 0 3 399.539 1.962 40 0 GDABHN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019374861 210247029 /nfs/dbraw/zinc/24/70/29/210247029.db2.gz VTLJLCPWYKKEGA-RHSMWYFYSA-N 0 3 391.475 1.954 40 0 GDABHN O=C(COc1ncnc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019376149 210245502 /nfs/dbraw/zinc/24/55/02/210245502.db2.gz QSFOKMHAKFGIRA-SFHVURJKSA-N 0 3 390.447 1.808 40 0 GDABHN Cn1ccc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C4CC[NH+](C)CC4)n3)C2)n1 ZINC000019290919 210238702 /nfs/dbraw/zinc/23/87/02/210238702.db2.gz YMYFUCIGMGROBQ-OAHLLOKOSA-N 0 3 384.484 1.332 40 0 GDABHN COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000016958034 210200223 /nfs/dbraw/zinc/20/02/23/210200223.db2.gz FDGBLPYHPVKNQR-ZDUSSCGKSA-N 0 3 397.362 1.602 40 0 GDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218203030 531027845 /nfs/dbraw/zinc/02/78/45/531027845.db2.gz NXLHIPYJIKYSSQ-KCQAQPDRSA-N 0 3 390.299 1.858 40 0 GDABHN CS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc4[nH]ccc4c3)C2)O1 ZINC000306143902 212054431 /nfs/dbraw/zinc/05/44/31/212054431.db2.gz YQCXDBHDOPJLNQ-IEBWSBKVSA-N 0 3 393.509 1.467 40 0 GDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306138482 212053501 /nfs/dbraw/zinc/05/35/01/212053501.db2.gz RYNZXKYGHXUUEM-UHFFFAOYSA-N 0 3 389.525 1.944 40 0 GDABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306130958 212050036 /nfs/dbraw/zinc/05/00/36/212050036.db2.gz JTJCWSMTCAAEOL-UONOGXRCSA-N 0 3 381.436 1.203 40 0 GDABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(OC)cc1OC ZINC000257340362 212027255 /nfs/dbraw/zinc/02/72/55/212027255.db2.gz ZFRHVXWLETUUSX-APWZRJJASA-N 0 3 377.485 1.681 40 0 GDABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096262817 211327127 /nfs/dbraw/zinc/32/71/27/211327127.db2.gz YRJNOBTUMQRHMO-JOCHJYFZSA-N 0 3 399.539 1.900 40 0 GDABHN CC[C@@H]1CCCCN1CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000072397283 211112919 /nfs/dbraw/zinc/11/29/19/211112919.db2.gz DIRITEQKSBYVHE-PKOBYXMFSA-N 0 3 399.539 1.962 40 0 GDABHN O=C(CCn1ncc2c1CCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390821 211107895 /nfs/dbraw/zinc/10/78/95/211107895.db2.gz IDDWLDQYBJAFEB-GOSISDBHSA-N 0 3 380.496 1.951 40 0 GDABHN COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccccc1 ZINC000019818029 210300245 /nfs/dbraw/zinc/30/02/45/210300245.db2.gz BAOGJRLPPPZHLY-RTBURBONSA-N 0 3 392.459 1.825 40 0 GDABHN O=S1(=O)CC[C@@H](NCCn2cncc2-c2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019719642 210289205 /nfs/dbraw/zinc/28/92/05/210289205.db2.gz YXMWZZCJPHNNAW-MRXNPFEDSA-N 0 3 389.456 1.652 40 0 GDABHN CC(C)c1cc(C(=O)NCC[N@H+](C)C2CCCC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714763 210286761 /nfs/dbraw/zinc/28/67/61/210286761.db2.gz MEUKTBZFJHKHEO-UHFFFAOYSA-N 0 3 387.484 1.349 40 0 GDABHN CC(C)c1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714763 210286765 /nfs/dbraw/zinc/28/67/65/210286765.db2.gz MEUKTBZFJHKHEO-UHFFFAOYSA-N 0 3 387.484 1.349 40 0 GDABHN O=C(CN1CCc2ccccc2C1)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709206 210283214 /nfs/dbraw/zinc/28/32/14/210283214.db2.gz OFRNJGAZNJTUDG-LJQANCHMSA-N 0 3 394.523 1.188 40 0 GDABHN CC(=O)N1CCC(c2nnc3n2CCN(C(=O)CN2CCCCCC2)C3)CC1 ZINC000019707874 210283054 /nfs/dbraw/zinc/28/30/54/210283054.db2.gz HIKCNRFMWXBULT-UHFFFAOYSA-N 0 3 388.516 1.222 40 0 GDABHN CCC(C)(C)N1CCN(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000654565760 570315378 /nfs/dbraw/zinc/31/53/78/570315378.db2.gz CERUHTVCRGPRIB-UHFFFAOYSA-N 0 3 398.529 1.358 40 0 GDABHN C[C@H]1C[C@H](C)CN(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC000012145863 570616830 /nfs/dbraw/zinc/61/68/30/570616830.db2.gz LFBALGZPRXAPNC-HOTGVXAUSA-N 0 3 383.496 1.933 40 0 GDABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21 ZINC000248128797 570721024 /nfs/dbraw/zinc/72/10/24/570721024.db2.gz PRSAGFLWOVQIAT-USXIJHARSA-N 0 3 378.498 1.934 40 0 GDABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2)cc1 ZINC000013647339 570766505 /nfs/dbraw/zinc/76/65/05/570766505.db2.gz VKXUDFPUNSCTTP-UHFFFAOYSA-N 0 3 375.494 1.868 40 0 GDABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103706 570929214 /nfs/dbraw/zinc/92/92/14/570929214.db2.gz IMJMRRACUZVVJM-UYAOXDASSA-N 0 3 388.508 1.838 40 0 GDABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3cnn(C)c3)C2)cc1 ZINC000306141840 212054988 /nfs/dbraw/zinc/05/49/88/212054988.db2.gz WHXIDRSINQFUGJ-NRFANRHFSA-N 0 3 392.463 1.595 40 0 GDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306130957 212049636 /nfs/dbraw/zinc/04/96/36/212049636.db2.gz JTJCWSMTCAAEOL-KGLIPLIRSA-N 0 3 381.436 1.203 40 0 GDABHN COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)c4cc(=O)[n-]c(=O)[nH]4)C[C@@H]32)cc1 ZINC000257228239 212007866 /nfs/dbraw/zinc/00/78/66/212007866.db2.gz FSZCTVYDPFUARU-BFYDXBDKSA-N 0 3 384.436 1.456 40 0 GDABHN COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4cc(=O)[n-]c(=O)[nH]4)C[C@@H]32)cc1 ZINC000257228239 212007869 /nfs/dbraw/zinc/00/78/69/212007869.db2.gz FSZCTVYDPFUARU-BFYDXBDKSA-N 0 3 384.436 1.456 40 0 GDABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000072354520 211099139 /nfs/dbraw/zinc/09/91/39/211099139.db2.gz OSWFSTNRMVKNNW-GOSISDBHSA-N 0 3 384.480 1.043 40 0 GDABHN CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2C1 ZINC000019749470 210292920 /nfs/dbraw/zinc/29/29/20/210292920.db2.gz YNEMSMSRLLOJED-IBGZPJMESA-N 0 3 393.553 1.834 40 0 GDABHN CC1CCN(CC2(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CCCCC2)CC1 ZINC000019655268 210277778 /nfs/dbraw/zinc/27/77/78/210277778.db2.gz ZWESWQIIOAXDOH-SFHVURJKSA-N 0 3 399.601 1.656 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1C ZINC000224313743 136206706 /nfs/dbraw/zinc/20/67/06/136206706.db2.gz ZRZOWJGECIDSLS-UHFFFAOYSA-N 0 3 375.498 1.670 40 0 GDABHN COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1 ZINC000030879005 560090083 /nfs/dbraw/zinc/09/00/83/560090083.db2.gz MGSOUGKHNIMKCN-FHWLQOOXSA-N 0 3 380.485 1.519 40 0 biogenic,in-vitro GDABHN Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N3CCOCC3)nn2)c1 ZINC000008254315 560208049 /nfs/dbraw/zinc/20/80/49/560208049.db2.gz XYFGCNBBVHVKDS-LZQZEXGQSA-N 0 3 396.495 1.097 40 0 biogenic,in-vitro GDABHN CCn1nc(C)c(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1C ZINC000019523838 210255925 /nfs/dbraw/zinc/25/59/25/210255925.db2.gz GYDKOHNKCKKQMG-UHFFFAOYSA-N 0 3 386.500 1.453 40 0 GDABHN CCn1nc(C)c(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1C ZINC000019523838 210255929 /nfs/dbraw/zinc/25/59/29/210255929.db2.gz GYDKOHNKCKKQMG-UHFFFAOYSA-N 0 3 386.500 1.453 40 0 GDABHN O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019376633 210245553 /nfs/dbraw/zinc/24/55/53/210245553.db2.gz USVCEPGXXPGPBB-QGZVFWFLSA-N 0 3 393.447 1.784 40 0 GDABHN O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019376634 210245631 /nfs/dbraw/zinc/24/56/31/210245631.db2.gz USVCEPGXXPGPBB-KRWDZBQOSA-N 0 3 393.447 1.784 40 0 GDABHN C[C@H](C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1)N1CCCC1=O ZINC000019077592 210223691 /nfs/dbraw/zinc/22/36/91/210223691.db2.gz GRCVEONNVOVGTJ-HZPDHXFCSA-N 0 3 398.511 1.320 40 0 GDABHN CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008299324 291108702 /nfs/dbraw/zinc/10/87/02/291108702.db2.gz WBGKYRXVUIZGDT-IPELMVKDSA-N 0 3 386.475 1.163 40 0 biogenic,in-vitro GDABHN COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)NCCN(C)C)C2=O)cc1 ZINC000054360971 212059054 /nfs/dbraw/zinc/05/90/54/212059054.db2.gz AJOHTEPAPRDQJB-UVTDQMKNSA-N 0 3 391.449 1.187 40 0 GDABHN COc1ccc(CN2CC[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275146 212016700 /nfs/dbraw/zinc/01/67/00/212016700.db2.gz NOBQEUCOLARLKS-HNNXBMFYSA-N 0 3 380.448 1.630 40 0 GDABHN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(C1CCOCC1)C2 ZINC000257247002 212010686 /nfs/dbraw/zinc/01/06/86/212010686.db2.gz IWXLHVADCZMNAN-YPAWHYETSA-N 0 3 385.508 1.966 40 0 GDABHN COCC(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)NCCN(C)C)C1 ZINC000257242991 212008529 /nfs/dbraw/zinc/00/85/29/212008529.db2.gz IFCOVRATVZHXAA-CYBMUJFWSA-N 0 3 390.509 1.550 40 0 GDABHN CN(C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccn2)n1 ZINC000329008992 209155823 /nfs/dbraw/zinc/15/58/23/209155823.db2.gz LUDFHBQVCJIZFW-UHFFFAOYSA-N 0 3 377.452 1.190 40 0 GDABHN CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn32)CC1 ZINC000096155979 211313798 /nfs/dbraw/zinc/31/37/98/211313798.db2.gz ICZYMFQQDSPYJG-IBGZPJMESA-N 0 3 383.496 1.384 40 0 GDABHN CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCCN4CCCC4)cn32)C1 ZINC000096156242 211312884 /nfs/dbraw/zinc/31/28/84/211312884.db2.gz LVPXRHYDSAENAF-OAHLLOKOSA-N 0 3 399.499 1.026 40 0 GDABHN Cn1cc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cn1 ZINC000096243686 211324307 /nfs/dbraw/zinc/32/43/07/211324307.db2.gz VAFRFROQVSXFQQ-KRWDZBQOSA-N 0 3 384.484 1.129 40 0 GDABHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccc(C)s1)C2 ZINC000096230557 211321913 /nfs/dbraw/zinc/32/19/13/211321913.db2.gz TXQBZPKGFBEWOI-LJQANCHMSA-N 0 3 387.509 1.630 40 0 GDABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)COC)CCC2 ZINC000096056095 211297985 /nfs/dbraw/zinc/29/79/85/211297985.db2.gz FISCWRQAJSCWKK-UTKZUKDTSA-N 0 3 389.496 1.640 40 0 GDABHN COCCNC(=O)[C@@H]1CCC[C@@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 ZINC000096113437 560061378 /nfs/dbraw/zinc/06/13/78/560061378.db2.gz CKCVTZRTZWMKCH-SJLPKXTDSA-N 0 3 379.476 1.695 40 0 biogenic,in-vitro GDABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(F)cc2)C1 ZINC000585284394 570253293 /nfs/dbraw/zinc/25/32/93/570253293.db2.gz KTHMTAVOEYHIFG-RBBKRZOGSA-N 0 3 386.467 1.872 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585287808 570258882 /nfs/dbraw/zinc/25/88/82/570258882.db2.gz SFTQQFAIRWABTN-FQEVSTJZSA-N 0 3 398.450 1.808 40 0 GDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801674 570281578 /nfs/dbraw/zinc/28/15/78/570281578.db2.gz FLIOQZPDDXMGML-HUUCEWRRSA-N 0 3 378.860 1.294 40 0 GDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218145536 570326305 /nfs/dbraw/zinc/32/63/05/570326305.db2.gz BKVJLJWQXUGJDA-RVKKMQEKSA-N 0 3 398.481 1.538 40 0 GDABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382648 570353873 /nfs/dbraw/zinc/35/38/73/570353873.db2.gz WYKAQZIDVXCQOC-XRXFAXGQSA-N 0 3 391.475 1.624 40 0 biogenic,in-vitro GDABHN Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 ZINC000521205775 570439917 /nfs/dbraw/zinc/43/99/17/570439917.db2.gz RMKJHJRLZXGKEN-RDJZCZTQSA-N 0 3 396.491 1.743 40 0 GDABHN CCS(=O)(=O)N1C[C@@H](C(=O)NCCN2CCCCC2)Oc2ccccc21 ZINC000026112945 570450201 /nfs/dbraw/zinc/45/02/01/570450201.db2.gz QMNZRLKAOITYEB-KRWDZBQOSA-N 0 3 381.498 1.206 40 0 GDABHN CNc1cc(N2CC[C@](O)(CN(C)Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257204241 570487151 /nfs/dbraw/zinc/48/71/51/570487151.db2.gz ATRSITYNALHSEQ-FQEVSTJZSA-N 0 3 389.475 1.940 40 0 GDABHN CCN1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000035311629 570551267 /nfs/dbraw/zinc/55/12/67/570551267.db2.gz JYHLBOXYECLCHK-UHFFFAOYSA-N 0 3 395.525 1.248 40 0 GDABHN COc1cccc(C2(O)CCN(CCNC(=O)CN3CCCCC3)CC2)c1 ZINC000012326296 570643351 /nfs/dbraw/zinc/64/33/51/570643351.db2.gz WIXDUOOOABRTQD-UHFFFAOYSA-N 0 3 375.513 1.581 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CCN(Cc3cccs3)C1)C2 ZINC000306133402 212049892 /nfs/dbraw/zinc/04/98/92/212049892.db2.gz MKIKCTHKYFHYSB-NRFANRHFSA-N 0 3 394.500 1.963 40 0 GDABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)NC3CC3)CCO2)C1=O ZINC000306128443 212047049 /nfs/dbraw/zinc/04/70/49/212047049.db2.gz HAJWPXMPADZNPG-NQIIRXRSSA-N 0 3 386.496 1.117 40 0 GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306127585 212046926 /nfs/dbraw/zinc/04/69/26/212046926.db2.gz GCXMDUXXGYQLEY-MOPGFXCFSA-N 0 3 388.475 1.907 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306132108 212048907 /nfs/dbraw/zinc/04/89/07/212048907.db2.gz KYOUZWLZCVUCEA-HUUCEWRRSA-N 0 3 395.442 1.707 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CCN(Cc3cccs3)C1)C2 ZINC000306133403 212048583 /nfs/dbraw/zinc/04/85/83/212048583.db2.gz MKIKCTHKYFHYSB-OAQYLSRUSA-N 0 3 394.500 1.963 40 0 GDABHN CC(=O)Nc1ccc(CN2CCC[C@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257330173 212025670 /nfs/dbraw/zinc/02/56/70/212025670.db2.gz XNEVCNNDSOKWAL-HXUWFJFHSA-N 0 3 382.468 1.959 40 0 GDABHN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257270435 212014143 /nfs/dbraw/zinc/01/41/43/212014143.db2.gz MUFISFFHNOKIGU-GUDVDZBRSA-N 0 3 388.443 1.512 40 0 GDABHN O=S1(=O)c2ccccc2OCC2(CCN(CCO)CC2)CN1CC1CC1 ZINC000096145194 211308184 /nfs/dbraw/zinc/30/81/84/211308184.db2.gz NNFQNHHQRVZYHV-UHFFFAOYSA-N 0 3 380.510 1.554 40 0 GDABHN COc1ccc(CN(C)CC(=O)N2CCn3c(nnc3[C@H]3CCCN3)C2)cc1 ZINC000072373957 211103547 /nfs/dbraw/zinc/10/35/47/211103547.db2.gz UFLKWMYJLHTNAN-QGZVFWFLSA-N 0 3 384.484 1.185 40 0 GDABHN CN1CC[C@@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3nccnc23)C1 ZINC000072391673 211110937 /nfs/dbraw/zinc/11/09/37/211110937.db2.gz KPMMHZYAHXGZOC-CQSZACIVSA-N 0 3 398.442 1.580 40 0 GDABHN Cc1cc(C)cc(OC[C@H](C)NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000019747546 210290644 /nfs/dbraw/zinc/29/06/44/210290644.db2.gz PJAQNOYDLAKDPB-KRWDZBQOSA-N 0 3 387.524 1.987 40 0 GDABHN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C1CCN(C)CC1 ZINC000019655132 210278058 /nfs/dbraw/zinc/27/80/58/210278058.db2.gz CQOXJLKRPQSGPT-OAHLLOKOSA-N 0 3 389.496 1.999 40 0 GDABHN COc1cc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc(OC)c1 ZINC000224311788 536842524 /nfs/dbraw/zinc/84/25/24/536842524.db2.gz UDEZIHQXGRLVTA-UHFFFAOYSA-N 0 3 386.456 1.914 40 0 GDABHN O=C(c1cccnc1)N1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290130 560030634 /nfs/dbraw/zinc/03/06/34/560030634.db2.gz UEIYPHGPDOYNBD-LEWJYISDSA-N 0 3 392.503 1.270 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000067897198 560050262 /nfs/dbraw/zinc/05/02/62/560050262.db2.gz ADXKXXIPJMTVPE-MOPGFXCFSA-N 0 3 375.444 1.248 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284275 570253509 /nfs/dbraw/zinc/25/35/09/570253509.db2.gz WNLRFPCTGVFJAQ-HXUWFJFHSA-N 0 3 380.460 1.587 40 0 GDABHN O[C@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000257295001 570488971 /nfs/dbraw/zinc/48/89/71/570488971.db2.gz QWOJZFNXLGOAAI-VXKWHMMOSA-N 0 3 389.540 1.429 40 0 GDABHN Cn1c(SCCN2CCCC2)nnc1[C@H]1CCCN1C(=O)N1CCOCC1 ZINC000005001566 570651760 /nfs/dbraw/zinc/65/17/60/570651760.db2.gz HMXUFDMWUUIOPG-OAHLLOKOSA-N 0 3 394.545 1.592 40 0 GDABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000061497561 570742979 /nfs/dbraw/zinc/74/29/79/570742979.db2.gz PARJAGLRHNYRMC-AWEZNQCLSA-N 0 3 383.489 1.437 40 0 GDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2)cc1 ZINC000010111577 570781995 /nfs/dbraw/zinc/78/19/95/570781995.db2.gz SMWLHALTRLJRMF-UHFFFAOYSA-N 0 3 391.493 1.568 40 0 GDABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585103762 570928984 /nfs/dbraw/zinc/92/89/84/570928984.db2.gz JAIUJKVTWMACMO-MSOLQXFVSA-N 0 3 394.537 1.621 40 0 GDABHN COc1ccc(OC)c(CN2CCC[C@@H](Cn3nnc4c3nc(C)[nH]c4=O)C2)c1 ZINC000019286464 210235329 /nfs/dbraw/zinc/23/53/29/210235329.db2.gz LWYPEPPSKGLIPO-CQSZACIVSA-N 0 3 398.467 1.752 40 0 GDABHN CC(=O)NCCn1nc([C@H]2CCN(C(=O)[C@@H](C)N3CCCC3)C2)c2cccnc21 ZINC000019077609 210223502 /nfs/dbraw/zinc/22/35/02/210223502.db2.gz WNTPKAIRFIMEQA-WBVHZDCISA-N 0 3 398.511 1.368 40 0 GDABHN CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)CN4CCCCCC4)C3)ncc2C1 ZINC000019018683 210222306 /nfs/dbraw/zinc/22/23/06/210222306.db2.gz ZWBDJOVBRBXHDX-QGZVFWFLSA-N 0 3 385.512 1.573 40 0 GDABHN Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306134696 212050509 /nfs/dbraw/zinc/05/05/09/212050509.db2.gz NVMDDZNVWYIOFW-MSOLQXFVSA-N 0 3 391.479 1.246 40 0 GDABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccccn2)C1 ZINC000306129330 212046888 /nfs/dbraw/zinc/04/68/88/212046888.db2.gz IAVYLZLJLPUTES-HXUWFJFHSA-N 0 3 395.488 1.457 40 0 GDABHN Cc1ncc(CN2CC[C@@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@H](C)C4)nc23)[nH]1 ZINC000306127620 212048038 /nfs/dbraw/zinc/04/80/38/212048038.db2.gz GDPBRUIKKWUZFO-VTJXTGGHSA-N 0 3 398.511 1.796 40 0 GDABHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257305846 212021516 /nfs/dbraw/zinc/02/15/16/212021516.db2.gz SRUXOAQIXQADIP-NRFANRHFSA-N 0 3 382.464 1.185 40 0 GDABHN Cc1nc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C)CC4)CC3)ccc2n1C ZINC000257247240 212010076 /nfs/dbraw/zinc/01/00/76/212010076.db2.gz IYCOHUZLBJYBIT-PMACEKPBSA-N 0 3 385.512 1.095 40 0 GDABHN CN(C(=O)c1cc(-c2ccccc2F)[nH]n1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257238650 212009575 /nfs/dbraw/zinc/00/95/75/212009575.db2.gz HLXVKYGVGHLJDR-GUDVDZBRSA-N 0 3 388.443 1.512 40 0 GDABHN O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000257229103 212007173 /nfs/dbraw/zinc/00/71/73/212007173.db2.gz FWRRZBWKBBBPJV-QFIPXVFZSA-N 0 3 395.507 1.834 40 0 GDABHN O=C(NCCN1CCCC1)C1=NO[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096225587 211319872 /nfs/dbraw/zinc/31/98/72/211319872.db2.gz ZHKCAGINQHNRRD-HXUWFJFHSA-N 0 3 385.468 1.651 40 0 GDABHN CN(C)CCN1[C@]2(CCN(Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143085 211308320 /nfs/dbraw/zinc/30/83/20/211308320.db2.gz SJWVUBIKIGSMGN-FQEVSTJZSA-N 0 3 386.521 1.749 40 0 GDABHN COc1ccc(CC(=O)NCCn2nc([C@H]3CCN(C)C3)c3nccnc32)cc1 ZINC000072391662 211109957 /nfs/dbraw/zinc/10/99/57/211109957.db2.gz GGNHSMYPJVDPMZ-INIZCTEOSA-N 0 3 394.479 1.613 40 0 GDABHN CN(C)c1ccc(C(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709488 210283854 /nfs/dbraw/zinc/28/38/54/210283854.db2.gz OPTRPDHOSSLWSE-QGZVFWFLSA-N 0 3 382.512 1.852 40 0 GDABHN COCCOc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1 ZINC000019593731 210274320 /nfs/dbraw/zinc/27/43/20/210274320.db2.gz RJFBFABHSDCIHA-UHFFFAOYSA-N 0 3 398.507 1.996 40 0 GDABHN COCCOc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1 ZINC000019593731 210274326 /nfs/dbraw/zinc/27/43/26/210274326.db2.gz RJFBFABHSDCIHA-UHFFFAOYSA-N 0 3 398.507 1.996 40 0 GDABHN CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c3oc(C)cc3n(CC)c2c1=O ZINC000012183680 221163137 /nfs/dbraw/zinc/16/31/37/221163137.db2.gz RAQUGVILCQJYME-CQSZACIVSA-N 0 3 385.468 1.873 40 0 GDABHN O=C(c1ccccc1)N1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290085 560030458 /nfs/dbraw/zinc/03/04/58/560030458.db2.gz SNRBDIFNDMFJEZ-FGZHOGPDSA-N 0 3 391.515 1.875 40 0 biogenic,in-vitro GDABHN COc1ccc(CN[C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)cc1 ZINC000077261976 560046753 /nfs/dbraw/zinc/04/67/53/560046753.db2.gz HTEPXBOTWJBTOC-UGESXGAOSA-N 0 3 399.491 1.294 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCC(N2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381117 570352283 /nfs/dbraw/zinc/35/22/83/570352283.db2.gz DJQLXCUXDZWPOY-JOCHJYFZSA-N 0 3 398.551 1.268 40 0 biogenic,in-vitro GDABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382625 570353645 /nfs/dbraw/zinc/35/36/45/570353645.db2.gz VVRZDHNBODOUJF-XRXFAXGQSA-N 0 3 391.475 1.624 40 0 biogenic,in-vitro GDABHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 ZINC000224173821 570502239 /nfs/dbraw/zinc/50/22/39/570502239.db2.gz ABYBRTNRSXMXHE-UHFFFAOYSA-N 0 3 379.457 1.942 40 0 GDABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298008 570527321 /nfs/dbraw/zinc/52/73/21/570527321.db2.gz CKAJJRWLZCKMQE-RLLQIKCJSA-N 0 3 389.544 1.874 40 0 biogenic,in-vitro GDABHN COC(=O)c1cc(NC(=S)NC[C@H]2CCCN(C)C2)cc(C(=O)OC)c1 ZINC000009876457 570562221 /nfs/dbraw/zinc/56/22/21/570562221.db2.gz BFULCAWKIYMWKH-GFCCVEGCSA-N 0 3 379.482 1.888 40 0 GDABHN CN1CCN(C2=N[C@@H](c3ccco3)C3=C(N2)C(=O)N(c2ccccc2)C3=O)CC1 ZINC000009287457 570774867 /nfs/dbraw/zinc/77/48/67/570774867.db2.gz XBJNKYNXGPYHII-KRWDZBQOSA-N 0 3 391.431 1.355 40 0 GDABHN CN1CCc2nc3n(c(=O)c2C1)CCC31CCN(C(=O)c2ccnc(F)c2)CC1 ZINC000585105983 570935447 /nfs/dbraw/zinc/93/54/47/570935447.db2.gz YTDHMDZWOVMJLD-UHFFFAOYSA-N 0 3 397.454 1.343 40 0 GDABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N3CCCC3)nn2)c1 ZINC000008254511 570947516 /nfs/dbraw/zinc/94/75/16/570947516.db2.gz SJZWRHQGSZRVOC-IPELMVKDSA-N 0 3 380.496 1.860 40 0 biogenic,in-vitro GDABHN O=C(CCCN1CCC2(CC(=O)N(N3CCOCC3)C2=O)CC1)c1ccccc1 ZINC000001641806 212251558 /nfs/dbraw/zinc/25/15/58/212251558.db2.gz QWQCBFNAWBDUED-UHFFFAOYSA-N 0 3 399.491 1.738 40 0 GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)CN4CCCCCC4)CC3)ncc2C1 ZINC000019018812 221395579 /nfs/dbraw/zinc/39/55/79/221395579.db2.gz SJJZAMRYJYMSEM-UHFFFAOYSA-N 0 3 399.539 1.963 40 0 GDABHN Cn1ncc2c1ncn(CC(=O)NC[C@H](c1ccccc1)N1CCCCC1)c2=O ZINC000019662759 221438993 /nfs/dbraw/zinc/43/89/93/221438993.db2.gz NHOUTABLLURUQD-GOSISDBHSA-N 0 3 394.479 1.473 40 0 GDABHN Cc1ccc2c(c1)CN(C(=O)Cn1cccnc1=O)CC1(CCN(C)CC1)O2 ZINC000072394156 222250233 /nfs/dbraw/zinc/25/02/33/222250233.db2.gz HJLSMOVXKZOWHI-UHFFFAOYSA-N 0 3 382.464 1.437 40 0 GDABHN Cn1cc(CNC[C@H]2COCc3nc4cc(S(C)(=O)=O)ccc4n32)cn1 ZINC000096112780 222381800 /nfs/dbraw/zinc/38/18/00/222381800.db2.gz JAAIIDZGOLGRCR-ZDUSSCGKSA-N 0 3 375.454 1.034 40 0 biogenic,in-vitro GDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408708753 529076154 /nfs/dbraw/zinc/07/61/54/529076154.db2.gz MCZUFVMVLHLKEK-OAHLLOKOSA-N 0 3 398.463 1.749 40 0 GDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408707424 529076197 /nfs/dbraw/zinc/07/61/97/529076197.db2.gz AOZPDNBKNOUENA-MRXNPFEDSA-N 0 3 386.496 1.898 40 0 GDABHN COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)CN3C3(CN(CC(C)C)C3)C2)c1 ZINC000514288842 560033818 /nfs/dbraw/zinc/03/38/18/560033818.db2.gz FWKWSCJNGWULRZ-WOJBJXKFSA-N 0 3 387.524 1.434 40 0 biogenic,in-vitro GDABHN CN1CCC(N2CCC(O)(c3csc(CN4CCN(C)CC4)n3)CC2)CC1 ZINC000225471944 560043259 /nfs/dbraw/zinc/04/32/59/560043259.db2.gz ITGGDHXPHYIBGK-UHFFFAOYSA-N 0 3 393.601 1.268 40 0 biogenic,in-vitro GDABHN O=C(Cc1ccsc1)N1CC[C@@]2(CC(C(=O)NCCN3CCCC3)=NO2)C1 ZINC000096225589 570220094 /nfs/dbraw/zinc/22/00/94/570220094.db2.gz KDMQNEUEXDZNOL-LJQANCHMSA-N 0 3 390.509 1.250 40 0 GDABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCO)c(OC)c2)cc1 ZINC000585262536 570230380 /nfs/dbraw/zinc/23/03/80/570230380.db2.gz OWLVNAKTHGGEHQ-KRWDZBQOSA-N 0 3 391.464 1.947 40 0 GDABHN O[C@@]1(CNCc2cccc(CN3CCOCC3)c2)CCCN(c2ncccn2)C1 ZINC000585274307 570243570 /nfs/dbraw/zinc/24/35/70/570243570.db2.gz VCXAIAUSGCEDEB-JOCHJYFZSA-N 0 3 397.523 1.430 40 0 GDABHN CC(=O)N1CCC(N2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585284088 570252310 /nfs/dbraw/zinc/25/23/10/570252310.db2.gz UWDZWXSUEVNLLJ-IBGZPJMESA-N 0 3 384.423 1.418 40 0 GDABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585290936 570259442 /nfs/dbraw/zinc/25/94/42/570259442.db2.gz HOGQZVXYLYGQCH-CTNGQTDRSA-N 0 3 388.895 1.997 40 0 GDABHN COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1OC ZINC000022074691 570304829 /nfs/dbraw/zinc/30/48/29/570304829.db2.gz DMQMXUAWTVVAEH-UHFFFAOYSA-N 0 3 380.466 1.692 40 0 GDABHN C[C@@H]1CN(C2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)C[C@H](C)O1 ZINC000036741484 570569490 /nfs/dbraw/zinc/56/94/90/570569490.db2.gz VHEUYKBDTVEUCD-CALCHBBNSA-N 0 3 375.517 1.387 40 0 GDABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000003838644 570884473 /nfs/dbraw/zinc/88/44/73/570884473.db2.gz NPTSDWASUUUVIN-LESCRADOSA-N 0 3 385.468 1.124 40 0 biogenic,in-vitro GDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccoc3)C2)cs1 ZINC000306139354 570944259 /nfs/dbraw/zinc/94/42/59/570944259.db2.gz SVBSNUIEAULZLK-LJQANCHMSA-N 0 3 399.476 1.359 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306144085 570946288 /nfs/dbraw/zinc/94/62/88/570946288.db2.gz YVRKIYUONNOGPY-QFIPXVFZSA-N 0 3 389.459 1.297 40 0 GDABHN Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)n1 ZINC000019573866 571011106 /nfs/dbraw/zinc/01/11/06/571011106.db2.gz ZOOAETJMLQDRNC-INIZCTEOSA-N 0 3 398.511 1.780 40 0 GDABHN Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)n1 ZINC000019573866 571011110 /nfs/dbraw/zinc/01/11/10/571011110.db2.gz ZOOAETJMLQDRNC-INIZCTEOSA-N 0 3 398.511 1.780 40 0 GDABHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000019581960 571013408 /nfs/dbraw/zinc/01/34/08/571013408.db2.gz IZMQKWPBZZYKMC-CVEARBPZSA-N 0 3 394.541 1.676 40 0 GDABHN COc1cc(CCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)on1 ZINC000019590668 571018496 /nfs/dbraw/zinc/01/84/96/571018496.db2.gz BKWLMHGNHSULRD-UHFFFAOYSA-N 0 3 385.468 1.800 40 0 GDABHN COc1ccccc1CN(C(=O)Cc1nnc(N)s1)C1CCN(C)CC1 ZINC000019655366 571023382 /nfs/dbraw/zinc/02/33/82/571023382.db2.gz CVCRWEIHIUVLJU-UHFFFAOYSA-N 0 3 375.498 1.794 40 0 GDABHN Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@H]4CCCN4)n3CC2)c1 ZINC000019706427 571032327 /nfs/dbraw/zinc/03/23/27/571032327.db2.gz JZPNYURNPNBUGQ-CQSZACIVSA-N 0 3 379.461 1.397 40 0 GDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218191319 531027883 /nfs/dbraw/zinc/02/78/83/531027883.db2.gz LTFPHXCXOHEUNL-DYEKYZERSA-N 0 3 376.272 1.468 40 0 GDABHN COc1cccc(CNc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c1 ZINC000329016470 212093308 /nfs/dbraw/zinc/09/33/08/212093308.db2.gz NGYRKZIODSTVPO-UHFFFAOYSA-N 0 3 378.480 1.977 40 0 GDABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCC(N)=O ZINC000008327005 221037389 /nfs/dbraw/zinc/03/73/89/221037389.db2.gz RUOSCLDKSGTIQO-LLVKDONJSA-N 0 3 375.263 1.572 40 0 GDABHN Cc1ccc(=O)n(CC(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)n1 ZINC000019131083 221397769 /nfs/dbraw/zinc/39/77/69/221397769.db2.gz GGECBVYZSKHZKI-UHFFFAOYSA-N 0 3 380.492 1.864 40 0 GDABHN CCOc1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cn1cccn1 ZINC000019715882 221446325 /nfs/dbraw/zinc/44/63/25/221446325.db2.gz QPMYYINVLZMLFD-UHFFFAOYSA-N 0 3 397.479 1.846 40 0 GDABHN COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)NCCN(C)C)C2=O)c1 ZINC000054360984 222014344 /nfs/dbraw/zinc/01/43/44/222014344.db2.gz NPJDXKGQFJKIIF-GDNBJRDFSA-N 0 3 393.465 1.418 40 0 GDABHN Cc1ccc(CC(=O)NCCn2nc([C@@H]3CCN(C)C3)c3nccnc32)cc1 ZINC000072391668 222248455 /nfs/dbraw/zinc/24/84/55/222248455.db2.gz LVZWZAHCUYWBFQ-QGZVFWFLSA-N 0 3 378.480 1.913 40 0 GDABHN O=C(N1CCCC1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036352 222372852 /nfs/dbraw/zinc/37/28/52/222372852.db2.gz CQDUSVVLHYBQGG-JOCHJYFZSA-N 0 3 397.523 1.702 40 0 GDABHN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(CC3CC3)CCN21 ZINC000514289882 560031426 /nfs/dbraw/zinc/03/14/26/560031426.db2.gz PLZOOEAZBGXAGH-ICSRJNTNSA-N 0 3 377.916 1.943 40 0 biogenic,in-vitro GDABHN Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CCN([C@@H]3CCOC3)CC2)O1 ZINC000096243889 570223777 /nfs/dbraw/zinc/22/37/77/570223777.db2.gz GZUMAQOOOKOYSU-AEFFLSMTSA-N 0 3 397.479 1.704 40 0 GDABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@@H](O)COc1ccccc1 ZINC000585269815 570238725 /nfs/dbraw/zinc/23/87/25/570238725.db2.gz LCYSXVMPYHZVFV-LJQANCHMSA-N 0 3 375.465 1.946 40 0 GDABHN O[C@@]1(CNCc2cccc(CN3CCOCC3)c2)CCN(c2ccccn2)C1 ZINC000585270827 570239183 /nfs/dbraw/zinc/23/91/83/570239183.db2.gz BNMWCUZYDKTSAS-JOCHJYFZSA-N 0 3 382.508 1.645 40 0 GDABHN CN(Cc1ccccc1)C[C@@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@@H]1O ZINC000585285680 570255291 /nfs/dbraw/zinc/25/52/91/570255291.db2.gz RXTJXTVLDXHIHM-VQTJNVASSA-N 0 3 390.505 1.305 40 0 GDABHN COc1cccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)c1 ZINC000585290590 570258985 /nfs/dbraw/zinc/25/89/85/570258985.db2.gz CYNAANRKNBZLOD-IRLDBZIGSA-N 0 3 384.476 1.352 40 0 GDABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(Cl)cc2)C1 ZINC000585291890 570260320 /nfs/dbraw/zinc/26/03/20/570260320.db2.gz VBDXIWAWYLEPGM-CTNGQTDRSA-N 0 3 388.895 1.997 40 0 GDABHN CCN(CCO)C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]21 ZINC000004783402 570405310 /nfs/dbraw/zinc/40/53/10/570405310.db2.gz JGAJKIMRDZDQSF-FYFSBDKLSA-N 0 3 379.453 1.660 40 0 GDABHN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCN(C)C)cc1OC ZINC000223367660 570462189 /nfs/dbraw/zinc/46/21/89/570462189.db2.gz IOMLVTHMTJEUFQ-SSZFMOIBSA-N 0 3 387.436 1.746 40 0 GDABHN CN(Cc1ccc(OCCCO)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000257286937 570488709 /nfs/dbraw/zinc/48/87/09/570488709.db2.gz PNSFYTIORLZFQB-OAQYLSRUSA-N 0 3 386.496 1.701 40 0 GDABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257277174 570488915 /nfs/dbraw/zinc/48/89/15/570488915.db2.gz NWTHTAXBZFQFCV-NRFANRHFSA-N 0 3 393.503 1.572 40 0 GDABHN CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000054147677 570676209 /nfs/dbraw/zinc/67/62/09/570676209.db2.gz JAACYBOOPCRUFH-CQSZACIVSA-N 0 3 399.944 1.951 40 0 GDABHN CC(=O)N[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2OCC(N)=O)CC[C@@H]1O ZINC000257320298 570781298 /nfs/dbraw/zinc/78/12/98/570781298.db2.gz VWCTUMVOSOLWED-ROUUACIJSA-N 0 3 391.512 1.310 40 0 GDABHN CNCc1cc(NC)nc([C@H]2CCCN2C(=O)COc2ccccc2OC)n1 ZINC000019760450 570888785 /nfs/dbraw/zinc/88/87/85/570888785.db2.gz BDTJTZHBCDOZDQ-OAHLLOKOSA-N 0 3 385.468 1.989 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103774 570929198 /nfs/dbraw/zinc/92/91/98/570929198.db2.gz JMQYRNBIOOWNLF-SFHVURJKSA-N 0 3 394.537 1.703 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585105131 570934537 /nfs/dbraw/zinc/93/45/37/570934537.db2.gz YXOANTPAAHEZPW-IRXDYDNUSA-N 0 3 380.510 1.313 40 0 GDABHN Cc1ccccc1CN1CC[C@]2(C1)Cn1c(nnc1C(=O)NC1CC1)CN2C ZINC000306135419 570942059 /nfs/dbraw/zinc/94/20/59/570942059.db2.gz OQEDXPRJFBKDKR-NRFANRHFSA-N 0 3 380.496 1.569 40 0 GDABHN CCN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CCN(C)CC1 ZINC000019654835 571022881 /nfs/dbraw/zinc/02/28/81/571022881.db2.gz PVPQXDAQJBBRSH-HNNXBMFYSA-N 0 3 387.480 1.753 40 0 GDABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000020494796 530569263 /nfs/dbraw/zinc/56/92/63/530569263.db2.gz NZQDOEZZXQNXCL-UHFFFAOYSA-N 0 3 387.933 1.560 40 0 GDABHN O=S(=O)(c1cncc(Br)c1N1CCNCC1)N1CCCC1 ZINC000072210877 530805615 /nfs/dbraw/zinc/80/56/15/530805615.db2.gz AXAFKYGCEGTORD-UHFFFAOYSA-N 0 3 375.292 1.038 40 0 GDABHN COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN(C)C)cc1 ZINC000408709994 533650831 /nfs/dbraw/zinc/65/08/31/533650831.db2.gz KNQSPISLQZWZBA-UHFFFAOYSA-N 0 3 398.463 1.242 40 0 GDABHN Cc1ccc(CC(=O)NCCn2nc([C@H]3CCN(C)C3)c3nccnc32)cc1 ZINC000072391669 222249839 /nfs/dbraw/zinc/24/98/39/222249839.db2.gz LVZWZAHCUYWBFQ-KRWDZBQOSA-N 0 3 378.480 1.913 40 0 GDABHN Cn1ccnc1COc1ccc(CN2CC[C@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585270508 570239268 /nfs/dbraw/zinc/23/92/68/570239268.db2.gz XZTWBYBLJQUDFT-QFIPXVFZSA-N 0 3 399.539 1.183 40 0 GDABHN CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020110515 570240617 /nfs/dbraw/zinc/24/06/17/570240617.db2.gz SSXCXGODNRZZIU-SFHVURJKSA-N 0 3 381.542 1.339 40 0 GDABHN CCC(CC)N1CCN(C(=O)COC)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282617 570250352 /nfs/dbraw/zinc/25/03/52/570250352.db2.gz LTRUDYAUEARYRO-HXUWFJFHSA-N 0 3 382.476 1.915 40 0 GDABHN CN(C)C(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccccc3F)CC2)CCO1 ZINC000585282983 570250872 /nfs/dbraw/zinc/25/08/72/570250872.db2.gz LEGLNIFBTNPXGG-LJQANCHMSA-N 0 3 379.476 1.336 40 0 GDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585284091 570252105 /nfs/dbraw/zinc/25/21/05/570252105.db2.gz UXEBYMUUXFPWKP-OALUTQOASA-N 0 3 384.423 1.152 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@@H](CO)C1 ZINC000585285508 570254663 /nfs/dbraw/zinc/25/46/63/570254663.db2.gz YZBNJZMQCPXDMA-LJQANCHMSA-N 0 3 375.513 1.099 40 0 GDABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCOc2ccccc2)C1 ZINC000585285878 570255228 /nfs/dbraw/zinc/25/52/28/570255228.db2.gz UTFVOKBVHGSDAZ-JTHBVZDNSA-N 0 3 398.503 1.612 40 0 GDABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382033 570353148 /nfs/dbraw/zinc/35/31/48/570353148.db2.gz AAEVRMDXGIARKT-NCXUSEDFSA-N 0 3 397.475 1.773 40 0 biogenic,in-vitro GDABHN C[C@@H]1C[C@H](C)CN(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225088376 570547920 /nfs/dbraw/zinc/54/79/20/570547920.db2.gz VTRPQUCVZIMZKB-GASCZTMLSA-N 0 3 393.509 1.596 40 0 GDABHN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCN(C)CC1 ZINC000225350559 570566382 /nfs/dbraw/zinc/56/63/82/570566382.db2.gz YNOUTFHKFLZVAM-KRWDZBQOSA-N 0 3 383.514 1.450 40 0 GDABHN COCCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004133465 570618300 /nfs/dbraw/zinc/61/83/00/570618300.db2.gz VYMQWBCBEKGRDM-UHFFFAOYSA-N 0 3 376.526 1.721 40 0 GDABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160477 570619549 /nfs/dbraw/zinc/61/95/49/570619549.db2.gz NWLXOSUXJPQPKP-UHFFFAOYSA-N 0 3 376.482 1.515 40 0 GDABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000054147679 570676346 /nfs/dbraw/zinc/67/63/46/570676346.db2.gz JAACYBOOPCRUFH-AWEZNQCLSA-N 0 3 399.944 1.951 40 0 GDABHN COCCN1C(=O)C[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1OC ZINC000257342270 570784683 /nfs/dbraw/zinc/78/46/83/570784683.db2.gz ZNWITLRSQLRBON-APWZRJJASA-N 0 3 377.485 1.251 40 0 GDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000306125540 570936434 /nfs/dbraw/zinc/93/64/34/570936434.db2.gz CTMWLSVMVBTZOQ-HOTGVXAUSA-N 0 3 396.447 1.163 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CCN(Cc3ccco3)C[C@@H]21 ZINC000306131455 570939906 /nfs/dbraw/zinc/93/99/06/570939906.db2.gz KEYILSCNPSFKDZ-SJLPKXTDSA-N 0 3 378.432 1.666 40 0 GDABHN Cc1ccsc1CN1CC[C@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 ZINC000306135177 570941987 /nfs/dbraw/zinc/94/19/87/570941987.db2.gz OKGFRWJWNOPJTG-IBGZPJMESA-N 0 3 388.493 1.360 40 0 GDABHN Cc1nn(CCC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c(C)c1C ZINC000019557133 571004069 /nfs/dbraw/zinc/00/40/69/571004069.db2.gz ZRYAVOJHLKHVFP-KRWDZBQOSA-N 0 3 382.512 1.992 40 0 GDABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019561168 571005434 /nfs/dbraw/zinc/00/54/34/571005434.db2.gz JBJHRIXMQHAACT-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN COc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019561168 571005435 /nfs/dbraw/zinc/00/54/35/571005435.db2.gz JBJHRIXMQHAACT-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCNCC4)C2)c1 ZINC000019709359 571034209 /nfs/dbraw/zinc/03/42/09/571034209.db2.gz SWXFADCRSMFNJS-CQSZACIVSA-N 0 3 393.488 1.440 40 0 GDABHN COc1ccccc1S(=O)(=O)N1CCC(c2nnc3n2CCNCC3)CC1 ZINC000019709511 571034230 /nfs/dbraw/zinc/03/42/30/571034230.db2.gz JLKMPMMDWIKNNX-UHFFFAOYSA-N 0 3 391.497 1.001 40 0 GDABHN Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN(C)C)c1 ZINC000408710369 231102787 /nfs/dbraw/zinc/10/27/87/231102787.db2.gz ZMVCDCVIAPLUMC-UHFFFAOYSA-N 0 3 382.464 1.541 40 0 GDABHN O=S(=O)(c1cn[nH]c1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257342234 531092554 /nfs/dbraw/zinc/09/25/54/531092554.db2.gz ZNRUJYUKNBQZQZ-CQSZACIVSA-N 0 3 378.445 1.047 40 0 GDABHN Cc1ccc(Cl)cc1S(=O)(=O)N(CCN)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575426734 532013962 /nfs/dbraw/zinc/01/39/62/532013962.db2.gz ZCGCTRRAQDNUOU-AWEZNQCLSA-N 0 3 380.919 1.175 40 0 GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)[C@H](C)N4CCCC4)CC3)ncc2C1 ZINC000019078083 221395344 /nfs/dbraw/zinc/39/53/44/221395344.db2.gz LLPVHFXSQXWNSY-HNNXBMFYSA-N 0 3 385.512 1.572 40 0 GDABHN CC(=O)N1CC[C@H](c2nn(CCNC(=O)[C@H](C)N3CCCC3)c3ncccc23)C1 ZINC000019080327 221396262 /nfs/dbraw/zinc/39/62/62/221396262.db2.gz YGLSUKFIQRIKKM-RDJZCZTQSA-N 0 3 398.511 1.368 40 0 GDABHN COc1ccccc1CC(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391649 222249193 /nfs/dbraw/zinc/24/91/93/222249193.db2.gz RQJQLLUEQVRJFW-MRXNPFEDSA-N 0 3 394.479 1.613 40 0 GDABHN CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](CN3CCN(C)CC3)CO2)C1 ZINC000096228441 222399982 /nfs/dbraw/zinc/39/99/82/222399982.db2.gz ZMAHLKYGWCRYJN-WIYYLYMNSA-N 0 3 389.544 1.470 40 0 GDABHN O=C(NC1CC1)[C@H]1O[C@H](CCN2CCN(Cc3ccccc3)CC2)CC[C@@H]1O ZINC000030878687 560090051 /nfs/dbraw/zinc/09/00/51/560090051.db2.gz JAZDYTPFLXRZDQ-ACRUOGEOSA-N 0 3 387.524 1.381 40 0 biogenic,in-vitro GDABHN COc1cccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000113968036 570338368 /nfs/dbraw/zinc/33/83/68/570338368.db2.gz YKDGHJQLCCMAQF-UHFFFAOYSA-N 0 3 383.514 1.452 40 0 GDABHN COCCn1nnnc1[C@@H](c1ccccn1)N1CCN(C2CCCCC2)CC1 ZINC000022584613 570348291 /nfs/dbraw/zinc/34/82/91/570348291.db2.gz ANQWMAVDTMVXLW-LJQANCHMSA-N 0 3 385.516 1.754 40 0 GDABHN CCCOc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000219151193 570348586 /nfs/dbraw/zinc/34/85/86/570348586.db2.gz AWBPJLRGMYVCFO-UHFFFAOYSA-N 0 3 383.514 1.452 40 0 GDABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514288786 570492922 /nfs/dbraw/zinc/49/29/22/570492922.db2.gz DZJPLLWGMBUKRU-FCHUYYIVSA-N 0 3 378.520 1.630 40 0 biogenic,in-vitro GDABHN COc1ccc(S[C@@H](C)C(=O)NCCCN2CCN(C)CC2)cc1OC ZINC000038753573 570581736 /nfs/dbraw/zinc/58/17/36/570581736.db2.gz IZNWBJINUBTUDO-HNNXBMFYSA-N 0 3 381.542 1.938 40 0 GDABHN O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007339508 570677427 /nfs/dbraw/zinc/67/74/27/570677427.db2.gz IMMQSJSDPDBVAY-UHFFFAOYSA-N 0 3 383.489 1.535 40 0 GDABHN Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)N=C13)CCO2 ZINC000263584388 570794336 /nfs/dbraw/zinc/79/43/36/570794336.db2.gz RMKJHJRLZXGKEN-DOTOQJQBSA-N 0 3 396.491 1.743 40 0 GDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104924 570934147 /nfs/dbraw/zinc/93/41/47/570934147.db2.gz XGPNREAFHHCGPH-FQEVSTJZSA-N 0 3 388.508 1.789 40 0 GDABHN CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CCN(Cc1ccsc1)C2 ZINC000306126394 570936752 /nfs/dbraw/zinc/93/67/52/570936752.db2.gz DUMCFBBHJSKWDF-IBGZPJMESA-N 0 3 386.525 1.712 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306129991 570938407 /nfs/dbraw/zinc/93/84/07/570938407.db2.gz ITIDZJGWINBXOF-QFIPXVFZSA-N 0 3 389.459 1.297 40 0 GDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccoc3)C2)cs1 ZINC000306139353 570944169 /nfs/dbraw/zinc/94/41/69/570944169.db2.gz SVBSNUIEAULZLK-IBGZPJMESA-N 0 3 399.476 1.359 40 0 GDABHN C=Cn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1C ZINC000019554360 571002560 /nfs/dbraw/zinc/00/25/60/571002560.db2.gz SVAWYHZVUHTGOL-MRXNPFEDSA-N 0 3 384.484 1.592 40 0 GDABHN C=Cn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1C ZINC000019554360 571002562 /nfs/dbraw/zinc/00/25/62/571002562.db2.gz SVAWYHZVUHTGOL-MRXNPFEDSA-N 0 3 384.484 1.592 40 0 GDABHN NC(=O)C1(N2CCOCC2)CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC000019658690 571025063 /nfs/dbraw/zinc/02/50/63/571025063.db2.gz ILZJEFCMSIFKFM-UHFFFAOYSA-N 0 3 386.540 1.829 40 0 GDABHN CN1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000030856116 530600750 /nfs/dbraw/zinc/60/07/50/530600750.db2.gz KGTHAGINFZKRTC-UHFFFAOYSA-N 0 3 388.921 1.079 40 0 GDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC ZINC000252515829 531091372 /nfs/dbraw/zinc/09/13/72/531091372.db2.gz NXLHIPYJIKYSSQ-GZBFAFLISA-N 0 3 390.299 1.858 40 0 GDABHN COc1ccccc1CN1CC[C@@H](c2nn(CCNC(C)=O)c3nccnc23)C1 ZINC000019021591 221394592 /nfs/dbraw/zinc/39/45/92/221394592.db2.gz ISGJSVWXGXCFLJ-QGZVFWFLSA-N 0 3 394.479 1.961 40 0 GDABHN C[C@@H](C(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1)N1CCCC1=O ZINC000019077599 221395191 /nfs/dbraw/zinc/39/51/91/221395191.db2.gz GRCVEONNVOVGTJ-HOTGVXAUSA-N 0 3 398.511 1.320 40 0 GDABHN CNc1ncccc1CN1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380634 222244556 /nfs/dbraw/zinc/24/45/56/222244556.db2.gz RDCXKDSTRQDHGX-HNNXBMFYSA-N 0 3 384.484 1.698 40 0 GDABHN COc1cccc(CC(=O)NCCn2nc([C@H]3CCN(C)C3)c3nccnc32)c1 ZINC000072391646 222248807 /nfs/dbraw/zinc/24/88/07/222248807.db2.gz SCQMNLQFUQGMFN-INIZCTEOSA-N 0 3 394.479 1.613 40 0 GDABHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096230558 570221810 /nfs/dbraw/zinc/22/18/10/570221810.db2.gz TXQBZPKGFBEWOI-IBGZPJMESA-N 0 3 387.509 1.630 40 0 GDABHN Cc1nc2nnc3ccc(C(=O)NCCN(C)C)cc3c2n1C[C@H]1CCCO1 ZINC000096264318 570226918 /nfs/dbraw/zinc/22/69/18/570226918.db2.gz IYEQCUATIBIVEZ-OAHLLOKOSA-N 0 3 382.468 1.758 40 0 GDABHN O[C@]1(CNCc2cccc(CN3CCOCC3)c2)CCN(c2ncccn2)C1 ZINC000585270669 570239324 /nfs/dbraw/zinc/23/93/24/570239324.db2.gz AMPPFVLZDBREDT-NRFANRHFSA-N 0 3 383.496 1.040 40 0 GDABHN Cc1ccc(OCC2(O)CCN(C3CCN(S(C)(=O)=O)CC3)CC2)c(C)c1 ZINC000585281072 570249243 /nfs/dbraw/zinc/24/92/43/570249243.db2.gz DTKIMOYQIVZMBW-UHFFFAOYSA-N 0 3 396.553 1.933 40 0 GDABHN CN(CCc1ccccn1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285661 570255121 /nfs/dbraw/zinc/25/51/21/570255121.db2.gz ROGGIZIUJNOGJX-GMAHTHKFSA-N 0 3 397.519 1.513 40 0 GDABHN CCOc1ccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1 ZINC000585290615 570258504 /nfs/dbraw/zinc/25/85/04/570258504.db2.gz RDORJJXNVZSZKU-GMAHTHKFSA-N 0 3 398.503 1.742 40 0 GDABHN CCCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCN(C)CC3)C2=O)cc1 ZINC000022079613 570305641 /nfs/dbraw/zinc/30/56/41/570305641.db2.gz LDEHNJJPJCUSLQ-LJQANCHMSA-N 0 3 388.512 1.334 40 0 GDABHN Cc1cccnc1CN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108530670 570313050 /nfs/dbraw/zinc/31/30/50/570313050.db2.gz GQTSZKWQNOYFDL-MRXNPFEDSA-N 0 3 379.526 1.985 40 0 GDABHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000023421630 570362037 /nfs/dbraw/zinc/36/20/37/570362037.db2.gz VKEGNZSJTXGEBZ-UHFFFAOYSA-N 0 3 381.498 1.304 40 0 GDABHN COCCOc1cc(CNC[C@@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257249417 570488227 /nfs/dbraw/zinc/48/82/27/570488227.db2.gz JIGWVYGLYHEKHB-NRFANRHFSA-N 0 3 387.480 1.846 40 0 GDABHN COCCNC(=S)N(CCN(C)C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004133426 570618272 /nfs/dbraw/zinc/61/82/72/570618272.db2.gz PBTCHJRSRJXOCX-UHFFFAOYSA-N 0 3 376.526 1.721 40 0 GDABHN O=C(N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 ZINC000257217958 570762242 /nfs/dbraw/zinc/76/22/42/570762242.db2.gz DBHUVFLAPVNBRQ-VAMGGRTRSA-N 0 3 384.480 1.852 40 0 GDABHN CCN1C(=O)C[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000257276696 570774372 /nfs/dbraw/zinc/77/43/72/570774372.db2.gz NUUBXCSXAQXJKV-UZLBHIALSA-N 0 3 389.496 1.824 40 0 GDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cccnc4)C[C@@H]32)cc1 ZINC000306123741 570935971 /nfs/dbraw/zinc/93/59/71/570935971.db2.gz AVCSKQHIGXZHDQ-RTBURBONSA-N 0 3 389.459 1.386 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306128620 570938119 /nfs/dbraw/zinc/93/81/19/570938119.db2.gz HGFQTYSPSDPNDI-HZPDHXFCSA-N 0 3 377.452 1.568 40 0 GDABHN CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccc1)CC3 ZINC000585110053 570939063 /nfs/dbraw/zinc/93/90/63/570939063.db2.gz BMYZIYBBPQZPIW-QGZVFWFLSA-N 0 3 380.492 1.810 40 0 GDABHN Cc1noc(CC(=O)N2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)n1 ZINC000585113572 570944029 /nfs/dbraw/zinc/94/40/29/570944029.db2.gz XLUXSTDOLOYKPX-GOSISDBHSA-N 0 3 376.482 1.733 40 0 GDABHN COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCN(C)C ZINC000408709934 231103006 /nfs/dbraw/zinc/10/30/06/231103006.db2.gz IWYCHOLHRDTYHJ-UHFFFAOYSA-N 0 3 398.463 1.242 40 0 GDABHN C[C@H](C(=O)NCCN(C)C)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000012086365 221148808 /nfs/dbraw/zinc/14/88/08/221148808.db2.gz XYIKCOMDRBXDRK-VFNWGFHPSA-N 0 3 387.480 1.469 40 0 GDABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000072354519 222238150 /nfs/dbraw/zinc/23/81/50/222238150.db2.gz OSWFSTNRMVKNNW-SFHVURJKSA-N 0 3 384.480 1.043 40 0 GDABHN COc1ccc(CCC(=O)N2CCNC[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355154 222240011 /nfs/dbraw/zinc/24/00/11/222240011.db2.gz NDCHFQIKXSQHQB-SFHVURJKSA-N 0 3 397.523 1.775 40 0 GDABHN COc1ccccc1CC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391648 222248561 /nfs/dbraw/zinc/24/85/61/222248561.db2.gz RQJQLLUEQVRJFW-INIZCTEOSA-N 0 3 394.479 1.613 40 0 GDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O ZINC000514288759 560034295 /nfs/dbraw/zinc/03/42/95/560034295.db2.gz CHMLQAGBKQDWGB-SLFFLAALSA-N 0 3 390.505 1.268 40 0 biogenic,in-vitro GDABHN COC(=O)N1c2ccccc2[C@]23[C@@H]4N5C[C@H]2C(=O)[C@@]2(O)C[C@]4(CCC5)CC[C@]123 ZINC000004104814 560197061 /nfs/dbraw/zinc/19/70/61/560197061.db2.gz YROYAGSZNDUMIF-KYEDJVRWSA-N 0 3 380.444 1.842 40 0 biogenic,in-vitro GDABHN O[C@@]1(CNCc2cccc(CN3CCOCC3)c2)CCN(c2ncccn2)C1 ZINC000585270683 570239203 /nfs/dbraw/zinc/23/92/03/570239203.db2.gz 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O=C(NCc1ccco1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253981 570525722 /nfs/dbraw/zinc/52/57/22/570525722.db2.gz GMTRVSDHNAICPO-NUJGCVRESA-N 0 3 392.463 1.960 40 0 biogenic,in-vitro GDABHN CCn1cc(NC(=O)CN2CCNC[C@H]2c2cccc(C(=O)NC)c2)c(C)n1 ZINC000257240247 570767954 /nfs/dbraw/zinc/76/79/54/570767954.db2.gz HSSIKSYECKOXGZ-SFHVURJKSA-N 0 3 384.484 1.156 40 0 GDABHN CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144152632 570891696 /nfs/dbraw/zinc/89/16/96/570891696.db2.gz MKMPWKUAHLTIBJ-YLQAJVPDSA-N 0 3 398.435 1.142 40 0 GDABHN Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)CCC(=O)N(C)C)CC2)n(C)n1 ZINC000585100274 570924116 /nfs/dbraw/zinc/92/41/16/570924116.db2.gz JHMIBKWLHSKQKF-OAQYLSRUSA-N 0 3 389.544 1.944 40 0 GDABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103704 570929255 /nfs/dbraw/zinc/92/92/55/570929255.db2.gz IMJMRRACUZVVJM-QUCCMNQESA-N 0 3 388.508 1.838 40 0 GDABHN COc1cccc(C(=O)N2C[C@@H]3CCCCN(CCC(N)=O)[C@@H]3C2)c1OC ZINC000019567408 571008456 /nfs/dbraw/zinc/00/84/56/571008456.db2.gz QXCOAVNINGTZBO-GOEBONIOSA-N 0 3 375.469 1.506 40 0 GDABHN Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)n1 ZINC000019573862 571011319 /nfs/dbraw/zinc/01/13/19/571011319.db2.gz ZOOAETJMLQDRNC-MRXNPFEDSA-N 0 3 398.511 1.780 40 0 GDABHN Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)n1 ZINC000019573862 571011321 /nfs/dbraw/zinc/01/13/21/571011321.db2.gz ZOOAETJMLQDRNC-MRXNPFEDSA-N 0 3 398.511 1.780 40 0 GDABHN CN1CC[C@H](c2nn(CCNC(=O)COC[C@@H]3CCCO3)c3ncccc23)C1 ZINC000019587908 571015600 /nfs/dbraw/zinc/01/56/00/571015600.db2.gz KHSVJBMLCHPSJT-HOTGVXAUSA-N 0 3 387.484 1.162 40 0 GDABHN COc1cc(CCC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)on1 ZINC000019588575 571016395 /nfs/dbraw/zinc/01/63/95/571016395.db2.gz UHUSXLXWZJKPJO-AWEZNQCLSA-N 0 3 385.468 1.800 40 0 GDABHN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2CCC(=O)N2CCOCC2)n1 ZINC000019690933 571029109 /nfs/dbraw/zinc/02/91/09/571029109.db2.gz JSEYLMXXSVNAJD-LJQANCHMSA-N 0 3 396.495 1.815 40 0 GDABHN CN1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2Cl)C3)CC1 ZINC000019711245 571035209 /nfs/dbraw/zinc/03/52/09/571035209.db2.gz UMIIIFLXRRVVKH-UHFFFAOYSA-N 0 3 395.916 1.945 40 0 GDABHN CN1CCN(CCCNC(=O)c2ccc(I)cc2)CC1 ZINC000022934907 530573283 /nfs/dbraw/zinc/57/32/83/530573283.db2.gz MMPIKVLOERDPSB-UHFFFAOYSA-N 0 3 387.265 1.659 40 0 GDABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008297969 291107248 /nfs/dbraw/zinc/10/72/48/291107248.db2.gz GAMDJNOHKGCBSO-ZACQAIPSSA-N 0 3 375.517 1.665 40 0 biogenic,in-vitro GDABHN CCOC(=O)c1ccc(N(C[C@H](N)O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001749365 212255667 /nfs/dbraw/zinc/25/56/67/212255667.db2.gz PQTQMXZSBYIKJR-QGZVFWFLSA-N 0 3 378.450 1.644 40 0 GDABHN CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)CN2CCCCCC2)C3)C1 ZINC000019016642 221393483 /nfs/dbraw/zinc/39/34/83/221393483.db2.gz CTEAEKYTRLBNRI-KRWDZBQOSA-N 0 3 385.512 1.573 40 0 GDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)CCCc2ccccn2)CC3)C1 ZINC000072370896 222240592 /nfs/dbraw/zinc/24/05/92/222240592.db2.gz NBBCZGIYBSCCHO-KRWDZBQOSA-N 0 3 382.512 1.890 40 0 GDABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)CCc2cccnc2)C3)CC1 ZINC000096228450 222399786 /nfs/dbraw/zinc/39/97/86/222399786.db2.gz QMFGZJVOXSKFQX-UNMCSNQZSA-N 0 3 386.540 1.659 40 0 GDABHN COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21 ZINC000008635725 560106942 /nfs/dbraw/zinc/10/69/42/560106942.db2.gz ZTVIBUKYLSKMPZ-IPMKNSEASA-N 0 3 388.581 1.870 40 0 biogenic,in-vitro GDABHN CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297558 560208207 /nfs/dbraw/zinc/20/82/07/560208207.db2.gz WLJAASZPFAHRAS-TYPHKJRUSA-N 0 3 396.539 1.709 40 0 biogenic,in-vitro GDABHN Cc1nc(N)ncc1C(=O)N1CCC([C@H]2CCCCN2CC(=O)N(C)C)CC1 ZINC000019746442 570213923 /nfs/dbraw/zinc/21/39/23/570213923.db2.gz IHMQGNGHICWNGQ-QGZVFWFLSA-N 0 3 388.516 1.162 40 0 GDABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccncc2)[C@@H](O)C1 ZINC000585283601 570251867 /nfs/dbraw/zinc/25/18/67/570251867.db2.gz FIYQRGJBBKBWKN-HKUYNNGSSA-N 0 3 375.856 1.463 40 0 GDABHN CC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284271 570253369 /nfs/dbraw/zinc/25/33/69/570253369.db2.gz WNLRFPCTGVFJAQ-FQEVSTJZSA-N 0 3 380.460 1.587 40 0 GDABHN Cc1ccc(N2CCC(O)(CN3CCO[C@@](C)(C(=O)N(C)C)C3)CC2)cc1 ZINC000585285465 570254771 /nfs/dbraw/zinc/25/47/71/570254771.db2.gz YNIGSRGBJBGQHV-HXUWFJFHSA-N 0 3 375.513 1.505 40 0 GDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585287873 570258907 /nfs/dbraw/zinc/25/89/07/570258907.db2.gz UFMRSOAUFRSKTI-VXKWHMMOSA-N 0 3 390.524 1.799 40 0 GDABHN COc1cc(CN2CCC[C@@]2(C)C(=O)NCCO)ccc1OCCN(C)C ZINC000257246581 570488039 /nfs/dbraw/zinc/48/80/39/570488039.db2.gz IUTIYTOFHLGICM-FQEVSTJZSA-N 0 3 379.501 1.099 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1F ZINC000257297606 570777465 /nfs/dbraw/zinc/77/74/65/570777465.db2.gz RIAVNROOXDVRDB-APWZRJJASA-N 0 3 379.476 1.772 40 0 GDABHN CC(C)Cc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)CC2)[n-]c(=O)n1 ZINC000257310517 570780003 /nfs/dbraw/zinc/78/00/03/570780003.db2.gz UFJRFKIKNSVQDY-HXUWFJFHSA-N 0 3 376.501 1.834 40 0 GDABHN CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccccn3)CC1)COC2 ZINC000306129014 570938390 /nfs/dbraw/zinc/93/83/90/570938390.db2.gz HRKWRLZWYMNFGK-UHFFFAOYSA-N 0 3 384.484 1.626 40 0 GDABHN Cc1noc(C)c1C(=O)N1CCc2nc3n(c(=O)c2C1)[C@@H](CN(C)C)CCC3 ZINC000585110163 570939055 /nfs/dbraw/zinc/93/90/55/570939055.db2.gz REEPYBCLVSQWLY-CQSZACIVSA-N 0 3 385.468 1.486 40 0 GDABHN Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306132106 570940412 /nfs/dbraw/zinc/94/04/12/570940412.db2.gz KYOUZWLZCVUCEA-CABCVRRESA-N 0 3 395.442 1.707 40 0 GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306135030 570941406 /nfs/dbraw/zinc/94/14/06/570941406.db2.gz OFHLWHORZMAEDE-RBUKOAKNSA-N 0 3 388.475 1.907 40 0 GDABHN CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@@]12CCN(Cc1ccsc1)C2 ZINC000306135227 570942200 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XDYQEBRWGYAEHU-AWEZNQCLSA-N 0 3 396.447 1.919 40 0 GDABHN COc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590652 571017912 /nfs/dbraw/zinc/01/79/12/571017912.db2.gz CXMZKLQWELSRPI-CQSZACIVSA-N 0 3 388.493 1.651 40 0 GDABHN NC(=O)C1CCN(C(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000019659194 571025012 /nfs/dbraw/zinc/02/50/12/571025012.db2.gz VQHHXUMTIXHOHT-HNNXBMFYSA-N 0 3 383.496 1.541 40 0 GDABHN Cn1ncc2c1ncn(CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1)c2=O ZINC000019662761 571026648 /nfs/dbraw/zinc/02/66/48/571026648.db2.gz NHOUTABLLURUQD-SFHVURJKSA-N 0 3 394.479 1.473 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)cc1 ZINC000019711098 571035137 /nfs/dbraw/zinc/03/51/37/571035137.db2.gz JWNZXYBJEGTGCH-CQSZACIVSA-N 0 3 391.497 1.300 40 0 GDABHN COc1cc(C)ccc1OCC(=O)N1CCn2c(nnc2C2CCN(C)CC2)C1 ZINC000019711283 571035304 /nfs/dbraw/zinc/03/53/04/571035304.db2.gz BIHBFKUJKXTJCW-UHFFFAOYSA-N 0 3 399.495 1.826 40 0 GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)[C@@H](C)N4CCCCC4)CC3)ncc2C1 ZINC000019078087 221394576 /nfs/dbraw/zinc/39/45/76/221394576.db2.gz SNAQXBBRXGMPRK-MRXNPFEDSA-N 0 3 399.539 1.962 40 0 GDABHN CNc1ncccc1CN1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380635 222245557 /nfs/dbraw/zinc/24/55/57/222245557.db2.gz RDCXKDSTRQDHGX-OAHLLOKOSA-N 0 3 384.484 1.698 40 0 GDABHN COc1cccc(C(=O)NCCn2nc([C@H]3CCN(C)C3)c3nccnc32)c1 ZINC000072391614 222248084 /nfs/dbraw/zinc/24/80/84/222248084.db2.gz MNXPMZWCDNYAIH-HNNXBMFYSA-N 0 3 380.452 1.684 40 0 GDABHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN(C)C)cc1 ZINC000408710206 534051936 /nfs/dbraw/zinc/05/19/36/534051936.db2.gz RYGPNGMCSPOLPI-UHFFFAOYSA-N 0 3 382.464 1.541 40 0 GDABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 ZINC000008253939 523920897 /nfs/dbraw/zinc/92/08/97/523920897.db2.gz CTLAABIVZFGQBP-QGTPRVQTSA-N 0 3 384.484 1.000 40 0 biogenic,in-vitro GDABHN Cc1ccc([C@@]2(O)CCN(C(=O)C3CN(C(=O)C4CCN(C)CC4)C3)C2)cc1 ZINC000019719843 570210899 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399.495 1.370 40 0 GDABHN CN(C)c1cc(CN(C)S(=O)(=O)Cc2ccccc2)nc([C@H]2CCCN2)n1 ZINC000019760170 570888087 /nfs/dbraw/zinc/88/80/87/570888087.db2.gz GIAINLVIFWQZFI-QGZVFWFLSA-N 0 3 389.525 1.929 40 0 GDABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585103765 570929103 /nfs/dbraw/zinc/92/91/03/570929103.db2.gz JAIUJKVTWMACMO-QZTJIDSGSA-N 0 3 394.537 1.621 40 0 GDABHN CN1CCC2(CC1)COc1ncccc1S(=O)(=O)N(Cc1cccnc1)C2 ZINC000306125196 570936087 /nfs/dbraw/zinc/93/60/87/570936087.db2.gz CIWWNVRWAPKEHP-UHFFFAOYSA-N 0 3 388.493 1.772 40 0 GDABHN CN1CCN(CCC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585112523 570943342 /nfs/dbraw/zinc/94/33/42/570943342.db2.gz QVAADUKXIWWSAL-HXUWFJFHSA-N 0 3 397.523 1.299 40 0 GDABHN CN1CC[C@@H](c2nn(CCNC(=O)COC[C@@H]3CCCO3)c3ncccc23)C1 ZINC000019587906 571015843 /nfs/dbraw/zinc/01/58/43/571015843.db2.gz KHSVJBMLCHPSJT-CVEARBPZSA-N 0 3 387.484 1.162 40 0 GDABHN COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCC(C)CC2)c1 ZINC000020466015 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40 0 GDABHN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)CN4CCCC[C@@H]4C)C3)ncc2C1 ZINC000072397280 222253937 /nfs/dbraw/zinc/25/39/37/222253937.db2.gz RYKMJLKUDQPLIN-RDJZCZTQSA-N 0 3 385.512 1.572 40 0 GDABHN COCCN(C)[C@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074195 222377580 /nfs/dbraw/zinc/37/75/80/222377580.db2.gz OVYRGDBYVMDOKR-MRXNPFEDSA-N 0 3 386.496 1.915 40 0 GDABHN CC1CCN(CCNC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000019748026 570214269 /nfs/dbraw/zinc/21/42/69/570214269.db2.gz GBWVTESCJKPSGW-INIZCTEOSA-N 0 3 397.516 1.684 40 0 GDABHN Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN([C@H]3CCOC3)CC2)O1 ZINC000096243892 570223842 /nfs/dbraw/zinc/22/38/42/570223842.db2.gz GZUMAQOOOKOYSU-FUHWJXTLSA-N 0 3 397.479 1.704 40 0 GDABHN Cc1nc2nnc3ccc(C(=O)NCCN(C)C)cc3c2n1C[C@@H]1CCCO1 ZINC000096264317 570226966 /nfs/dbraw/zinc/22/69/66/570226966.db2.gz IYEQCUATIBIVEZ-HNNXBMFYSA-N 0 3 382.468 1.758 40 0 GDABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCO)c(OC)c2)c1 ZINC000585262580 570230881 /nfs/dbraw/zinc/23/08/81/570230881.db2.gz UXQRCCQUACFJNU-KRWDZBQOSA-N 0 3 391.464 1.947 40 0 GDABHN CC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585280885 570249388 /nfs/dbraw/zinc/24/93/88/570249388.db2.gz BODQSMBOJUXYGT-IBGZPJMESA-N 0 3 384.423 1.418 40 0 GDABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCCc2ccccn2)[C@@H](O)C1 ZINC000585283622 570251875 /nfs/dbraw/zinc/25/18/75/570251875.db2.gz FRZLGLKXGCERRX-UNMCSNQZSA-N 0 3 383.492 1.171 40 0 GDABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585285588 570255140 /nfs/dbraw/zinc/25/51/40/570255140.db2.gz QUUNJBLVWNPLAN-UNMCSNQZSA-N 0 3 383.492 1.471 40 0 GDABHN CC(C)N1CCN(C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)CC1 ZINC000585285704 570255398 /nfs/dbraw/zinc/25/53/98/570255398.db2.gz SFRCLEKMRPNXSL-AZUAARDMSA-N 0 3 395.931 1.304 40 0 GDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(CN)CO)cc1 ZINC000218168176 570326896 /nfs/dbraw/zinc/32/68/96/570326896.db2.gz LZWAEIMUQAIGNK-CEXWTWQISA-N 0 3 375.446 1.601 40 0 GDABHN COc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000113961703 570336765 /nfs/dbraw/zinc/33/67/65/570336765.db2.gz SLIKMKNDDFMIBX-UHFFFAOYSA-N 0 3 383.514 1.452 40 0 GDABHN CC(C)C[C@H](NC(=O)[C@@H](NCCC(N)=O)C(C)C)C(=O)Nc1ccccc1 ZINC000004899891 570416581 /nfs/dbraw/zinc/41/65/81/570416581.db2.gz PGQXESHWNNKZJB-WMZOPIPTSA-N 0 3 376.501 1.646 40 0 GDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585105111 570934699 /nfs/dbraw/zinc/93/46/99/570934699.db2.gz YKESIKJERUBPTI-WOJBJXKFSA-N 0 3 388.508 1.789 40 0 GDABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306132109 570940550 /nfs/dbraw/zinc/94/05/50/570940550.db2.gz KYOUZWLZCVUCEA-LSDHHAIUSA-N 0 3 395.442 1.707 40 0 GDABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c(OC)c1 ZINC000019552490 571001600 /nfs/dbraw/zinc/00/16/00/571001600.db2.gz JSKZUMVOZNQOGQ-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN COc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c(OC)c1 ZINC000019552490 571001602 /nfs/dbraw/zinc/00/16/02/571001602.db2.gz JSKZUMVOZNQOGQ-UHFFFAOYSA-N 0 3 384.480 1.988 40 0 GDABHN CC1CCN(CC2(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CCCCC2)CC1 ZINC000019655266 571023331 /nfs/dbraw/zinc/02/33/31/571023331.db2.gz ZWESWQIIOAXDOH-GOSISDBHSA-N 0 3 399.601 1.656 40 0 GDABHN CCN(CC)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 ZINC000072210852 530805675 /nfs/dbraw/zinc/80/56/75/530805675.db2.gz QOVBLUHXNQNEBY-UHFFFAOYSA-N 0 3 377.308 1.284 40 0 GDABHN Cc1c(Cl)cccc1N(CCCC(=O)NCCN(C)C)S(C)(=O)=O ZINC000224978586 531029851 /nfs/dbraw/zinc/02/98/51/531029851.db2.gz QRDAHHCKVZWGRL-UHFFFAOYSA-N 0 3 375.922 1.872 40 0 GDABHN CC(C)NC(=O)[C@H]1O[C@H](CCN2CCN(c3ccccn3)CC2)CC[C@@H]1O ZINC000030878784 291107244 /nfs/dbraw/zinc/10/72/44/291107244.db2.gz TXHZXGOXLLYPMS-LNLFQRSKSA-N 0 3 376.501 1.027 40 0 biogenic,in-vitro GDABHN CN(C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccncc2)n1 ZINC000328994495 212092370 /nfs/dbraw/zinc/09/23/70/212092370.db2.gz JERPNDDCYMZNPU-UHFFFAOYSA-N 0 3 377.452 1.190 40 0 GDABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCC(N)=O ZINC000008326260 221037012 /nfs/dbraw/zinc/03/70/12/221037012.db2.gz RUOSCLDKSGTIQO-NSHDSACASA-N 0 3 375.263 1.572 40 0 GDABHN COc1cccc(C2(O)CCN(CCNC(=O)CN3CCC(C)CC3)CC2)c1 ZINC000012291050 221174298 /nfs/dbraw/zinc/17/42/98/221174298.db2.gz LNJJNZOQLVFBER-UHFFFAOYSA-N 0 3 389.540 1.827 40 0 GDABHN C[C@H]1C[C@H](C)CN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1 ZINC000013636530 221277977 /nfs/dbraw/zinc/27/79/77/221277977.db2.gz LVMUTPZRGOUDTF-BQFCYCMXSA-N 0 3 386.496 1.320 40 0 GDABHN CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019022499 221394836 /nfs/dbraw/zinc/39/48/36/221394836.db2.gz NGKBIFISKWRJSY-UHFFFAOYSA-N 0 3 397.479 1.578 40 0 GDABHN CC(=O)Nc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019022499 221394840 /nfs/dbraw/zinc/39/48/40/221394840.db2.gz NGKBIFISKWRJSY-UHFFFAOYSA-N 0 3 397.479 1.578 40 0 GDABHN CN1CC[C@@H](c2nn(CCNC(=O)COc3ccccc3)c3nccnc23)C1 ZINC000072391633 222249090 /nfs/dbraw/zinc/24/90/90/222249090.db2.gz MEVSUQVDLLKQLF-OAHLLOKOSA-N 0 3 380.452 1.441 40 0 GDABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3nccnc23)C1 ZINC000072391670 222249448 /nfs/dbraw/zinc/24/94/48/222249448.db2.gz OZOFRDAMKZYZAR-HNNXBMFYSA-N 0 3 382.443 1.743 40 0 GDABHN CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCCN4CCCC4)cn32)C1 ZINC000096156241 222393025 /nfs/dbraw/zinc/39/30/25/222393025.db2.gz LVPXRHYDSAENAF-HNNXBMFYSA-N 0 3 399.499 1.026 40 0 GDABHN CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](CN3CCN(C)CC3)CO2)C1 ZINC000096228442 222399596 /nfs/dbraw/zinc/39/95/96/222399596.db2.gz ZMAHLKYGWCRYJN-RXVVDRJESA-N 0 3 389.544 1.470 40 0 GDABHN COc1ccc(CNC[C@H]2O[C@H](Cc3cc(CN(C)C)on3)CC[C@@H]2O)cc1 ZINC000225284551 560036226 /nfs/dbraw/zinc/03/62/26/560036226.db2.gz CNIAHGWQSIIAAA-SESVDKBCSA-N 0 3 389.496 1.986 40 0 biogenic,in-vitro GDABHN CN(C)Cc1ccccc1CNC(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1 ZINC000019745699 570213631 /nfs/dbraw/zinc/21/36/31/570213631.db2.gz QGTSJDHCFFBOQI-UHFFFAOYSA-N 0 3 396.491 1.462 40 0 GDABHN O=C(c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1)N1CCOCC1 ZINC000096267565 570227552 /nfs/dbraw/zinc/22/75/52/570227552.db2.gz WCLNANJARMKHST-QGZVFWFLSA-N 0 3 392.463 1.586 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@@H](CO)C1 ZINC000585282960 570250912 /nfs/dbraw/zinc/25/09/12/570250912.db2.gz KNGOQOOIDLGPJV-LJQANCHMSA-N 0 3 375.513 1.099 40 0 GDABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccncc2)[C@@H](O)C1 ZINC000585284610 570253995 /nfs/dbraw/zinc/25/39/95/570253995.db2.gz MDWWTMMXZOGIDS-ICSRJNTNSA-N 0 3 389.883 1.392 40 0 GDABHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5[C@H]3C4 ZINC000004403676 570373606 /nfs/dbraw/zinc/37/36/06/570373606.db2.gz SNIQKBBBJUCTFG-IMTUZFDOSA-N 0 3 394.471 1.967 40 0 GDABHN COc1ccc(C)cc1N([C@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000220350531 570385463 /nfs/dbraw/zinc/38/54/63/570385463.db2.gz LNZBNMUXIKWTJL-CQSZACIVSA-N 0 3 383.514 1.369 40 0 GDABHN 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GDABHN COc1ccc(CN2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000105982414 136191430 /nfs/dbraw/zinc/19/14/30/136191430.db2.gz KTKUKJAVLPAIID-QFIPXVFZSA-N 0 3 396.491 1.996 40 0 GDABHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000061031456 222061945 /nfs/dbraw/zinc/06/19/45/222061945.db2.gz VVXICINYMDITBB-UHFFFAOYSA-N 0 3 395.525 1.306 40 0 GDABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C[C@H]2CC(C)(C)OC2=O)C3)C1 ZINC000072397276 222254313 /nfs/dbraw/zinc/25/43/13/222254313.db2.gz WFJXFSUGYKFXCX-GJZGRUSLSA-N 0 3 386.496 1.902 40 0 GDABHN CN(C)CCN1[C@@]2(CCN(Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143084 222388230 /nfs/dbraw/zinc/38/82/30/222388230.db2.gz SJWVUBIKIGSMGN-HXUWFJFHSA-N 0 3 386.521 1.749 40 0 GDABHN O[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NCc2ccc(F)cc2)[C@@H]1O ZINC000225500860 560042522 /nfs/dbraw/zinc/04/25/22/560042522.db2.gz DKCWCWCABWYXGA-QOJCHSLYSA-N 0 3 383.427 1.379 40 0 biogenic,in-vitro GDABHN Cc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1 ZINC000077264754 560046470 /nfs/dbraw/zinc/04/64/70/560046470.db2.gz HYZZUCINXUTDAH-AQNXPRMDSA-N 0 3 390.505 1.500 40 0 biogenic,in-vitro GDABHN CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(C)CC2)cc1 ZINC000020503847 560093755 /nfs/dbraw/zinc/09/37/55/560093755.db2.gz XBSUTROOQPUSQI-JAXLGGSGSA-N 0 3 399.583 1.440 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281730 570247925 /nfs/dbraw/zinc/24/79/25/570247925.db2.gz QKTIWRDESMFDPV-LJQANCHMSA-N 0 3 382.888 1.793 40 0 GDABHN CC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@H](CO)C1 ZINC000585282959 570250823 /nfs/dbraw/zinc/25/08/23/570250823.db2.gz KNGOQOOIDLGPJV-IBGZPJMESA-N 0 3 375.513 1.099 40 0 GDABHN O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(F)cc2)C1 ZINC000585283654 570251822 /nfs/dbraw/zinc/25/18/22/570251822.db2.gz GJXSDVIHDPVOGK-RBUKOAKNSA-N 0 3 394.468 1.102 40 0 GDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000020801680 570281700 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GDABHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257305847 570778999 /nfs/dbraw/zinc/77/89/99/570778999.db2.gz SRUXOAQIXQADIP-OAQYLSRUSA-N 0 3 382.464 1.185 40 0 GDABHN CC(C)Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)CC2)[n-]c(=O)n1 ZINC000257310516 570780010 /nfs/dbraw/zinc/78/00/10/570780010.db2.gz UFJRFKIKNSVQDY-FQEVSTJZSA-N 0 3 376.501 1.834 40 0 GDABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cn1 ZINC000585100745 570925320 /nfs/dbraw/zinc/92/53/20/570925320.db2.gz VEUDGINAYHQKFV-OAQYLSRUSA-N 0 3 387.528 1.873 40 0 GDABHN CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NCCCN3CCC(C(N)=O)CC3)c2C1 ZINC000019661498 571025901 /nfs/dbraw/zinc/02/59/01/571025901.db2.gz PYQSMFJSWDSPDE-OAHLLOKOSA-N 0 3 389.544 1.878 40 0 GDABHN COc1ccccc1CN1CC[C@H](c2nn(CCNC(C)=O)c3nccnc23)C1 ZINC000019021595 221395711 /nfs/dbraw/zinc/39/57/11/221395711.db2.gz ISGJSVWXGXCFLJ-KRWDZBQOSA-N 0 3 394.479 1.961 40 0 GDABHN COC1CCC(C(=O)NCCn2nc([C@@H]3CCN(C)C3)c3nccnc32)CC1 ZINC000072391661 222249305 /nfs/dbraw/zinc/24/93/05/222249305.db2.gz MGIICHPNRCRYEB-HWOWSKLDSA-N 0 3 386.500 1.567 40 0 GDABHN CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)C1 ZINC000072398717 222253913 /nfs/dbraw/zinc/25/39/13/222253913.db2.gz XEVRRHKSVUXLER-PMPSAXMXSA-N 0 3 388.512 1.669 40 0 GDABHN CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)C1 ZINC000072398717 222253917 /nfs/dbraw/zinc/25/39/17/222253917.db2.gz XEVRRHKSVUXLER-PMPSAXMXSA-N 0 3 388.512 1.669 40 0 GDABHN CN(C)CCN1c2ccccc2C2(CCN(C(=O)c3cnccn3)CC2)C1=O ZINC000096078906 222377527 /nfs/dbraw/zinc/37/75/27/222377527.db2.gz VOJUHJCUHJEPBX-UHFFFAOYSA-N 0 3 379.464 1.559 40 0 GDABHN CCOc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000113960972 222520458 /nfs/dbraw/zinc/52/04/58/222520458.db2.gz XWEDJKICBOWDOV-UHFFFAOYSA-N 0 3 397.541 1.842 40 0 GDABHN O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)c1ccccc1 ZINC000095252498 527229112 /nfs/dbraw/zinc/22/91/12/527229112.db2.gz JWQNVHNGQDKCDN-OKZBNKHCSA-N 0 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O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585104234 570933229 /nfs/dbraw/zinc/93/32/29/570933229.db2.gz OHKOONIPELNVBU-OALUTQOASA-N 0 3 394.537 1.454 40 0 GDABHN COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@@H]2C1 ZINC000306126771 570937269 /nfs/dbraw/zinc/93/72/69/570937269.db2.gz FEZWPURUBGCFOS-CABCVRRESA-N 0 3 382.468 1.268 40 0 GDABHN Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@]3(COCCN(C(C)C)C3)O2)c1 ZINC000306130220 570939360 /nfs/dbraw/zinc/93/93/60/570939360.db2.gz IZKVDZSSLUJNGR-HKUYNNGSSA-N 0 3 382.526 1.932 40 0 GDABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(C(C)C)c(=O)c2=O)CO3)s1 ZINC000306134235 570941623 /nfs/dbraw/zinc/94/16/23/570941623.db2.gz NGUJBNZGBZICLZ-GOSISDBHSA-N 0 3 376.482 1.531 40 0 GDABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3cnn(C)c3)C2)cc1 ZINC000306141841 570945250 /nfs/dbraw/zinc/94/52/50/570945250.db2.gz WHXIDRSINQFUGJ-OAQYLSRUSA-N 0 3 392.463 1.595 40 0 GDABHN COc1c(C)cccc1C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019235907 570965971 /nfs/dbraw/zinc/96/59/71/570965971.db2.gz ZFYHEMQHFZDBOR-INIZCTEOSA-N 0 3 384.480 1.913 40 0 GDABHN COc1c(C)cccc1C[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019235907 570965973 /nfs/dbraw/zinc/96/59/73/570965973.db2.gz ZFYHEMQHFZDBOR-INIZCTEOSA-N 0 3 384.480 1.913 40 0 GDABHN CC(=O)NC1(CC(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)CCCCC1 ZINC000019710683 571034558 /nfs/dbraw/zinc/03/45/58/571034558.db2.gz MYWVYJVVNOPZGN-INIZCTEOSA-N 0 3 388.516 1.316 40 0 GDABHN CCN(CC)S(=O)(=O)N1CCc2nc(C3CCN(C)CC3)nc(NC)c2C1 ZINC000019711076 571035181 /nfs/dbraw/zinc/03/51/81/571035181.db2.gz ZWUBWLPGSQHZFK-UHFFFAOYSA-N 0 3 396.561 1.272 40 0 GDABHN CC1CCN([C@H]2[C@@H](CNC(=O)Nc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466012 575368684 /nfs/dbraw/zinc/36/86/84/575368684.db2.gz GKTGOLGCCROIAU-VSZNYVQBSA-N 0 3 397.903 1.683 40 0 biogenic,in-vitro GDABHN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN(C)C)cc1 ZINC000408710052 529651146 /nfs/dbraw/zinc/65/11/46/529651146.db2.gz NAWJLZGORADFFH-UHFFFAOYSA-N 0 3 396.491 1.795 40 0 GDABHN CCc1ccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)cc1 ZINC000306140289 222802783 /nfs/dbraw/zinc/80/27/83/222802783.db2.gz UOZVIQBRTFZUQS-QFIPXVFZSA-N 0 3 396.491 1.552 40 0 GDABHN COc1ccc(CN2C[C@@H](C(=O)N(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cc1 ZINC000072334449 222230466 /nfs/dbraw/zinc/23/04/66/222230466.db2.gz RRCNNXFPLRGCJW-NZQKXSOJSA-N 0 3 393.487 1.940 40 0 GDABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCCC1 ZINC000096036833 222373555 /nfs/dbraw/zinc/37/35/55/222373555.db2.gz SAKBJTRCGLVJHZ-GOSISDBHSA-N 0 3 381.480 1.791 40 0 GDABHN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN1CCCCC1 ZINC000408701111 534206042 /nfs/dbraw/zinc/20/60/42/534206042.db2.gz RPZQOLWSJYORFI-UHFFFAOYSA-N 0 3 379.526 1.995 40 0 GDABHN O[C@]1(CN2CCOCC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000585270576 570239318 /nfs/dbraw/zinc/23/93/18/570239318.db2.gz MOTFUODFJOQAKT-NRFANRHFSA-N 0 3 386.496 1.231 40 0 GDABHN COCC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281733 570247901 /nfs/dbraw/zinc/24/79/01/570247901.db2.gz QKZFDRGJHIVUDQ-NRFANRHFSA-N 0 3 376.497 1.838 40 0 GDABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCOc2ccccc2)C1 ZINC000585283610 570251957 /nfs/dbraw/zinc/25/19/57/570251957.db2.gz FKBKSTDADABHRQ-RBBKRZOGSA-N 0 3 384.476 1.222 40 0 GDABHN CN(CCc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585285126 570254294 /nfs/dbraw/zinc/25/42/94/570254294.db2.gz OCVFDKVABSYPBA-GMAHTHKFSA-N 0 3 382.504 1.728 40 0 GDABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585285210 570254350 /nfs/dbraw/zinc/25/43/50/570254350.db2.gz PIPLXGWKIWSJIE-PZJWPPBQSA-N 0 3 388.895 1.997 40 0 GDABHN COc1ccc(S[C@H](C)C(=O)NCCCN2CCN(C)CC2)cc1OC ZINC000038753575 570581904 /nfs/dbraw/zinc/58/19/04/570581904.db2.gz IZNWBJINUBTUDO-OAHLLOKOSA-N 0 3 381.542 1.938 40 0 GDABHN COCCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1F ZINC000257239337 570767432 /nfs/dbraw/zinc/76/74/32/570767432.db2.gz HOVBNRLPSLLKPE-XLIONFOSSA-N 0 3 391.487 1.964 40 0 GDABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(CN3CCN(C)CC3)CC2)cc1 ZINC000257308582 570779384 /nfs/dbraw/zinc/77/93/84/570779384.db2.gz TXHCHHABBIKNQN-NRFANRHFSA-N 0 3 388.512 1.250 40 0 GDABHN CC(=O)Nc1ccc(CN2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257330172 570782396 /nfs/dbraw/zinc/78/23/96/570782396.db2.gz XNEVCNNDSOKWAL-FQEVSTJZSA-N 0 3 382.468 1.959 40 0 GDABHN CN(C)CCN1CCOCC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)C1 ZINC000585102436 570930619 /nfs/dbraw/zinc/93/06/19/570930619.db2.gz JSFGVQZDPNFHBD-UHFFFAOYSA-N 0 3 399.486 1.474 40 0 GDABHN O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585105130 570934483 /nfs/dbraw/zinc/93/44/83/570934483.db2.gz YXOANTPAAHEZPW-IAGOWNOFSA-N 0 3 380.510 1.313 40 0 GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306135028 570941335 /nfs/dbraw/zinc/94/13/35/570941335.db2.gz OFHLWHORZMAEDE-MOPGFXCFSA-N 0 3 388.475 1.907 40 0 GDABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)s1 ZINC000306144073 570946447 /nfs/dbraw/zinc/94/64/47/570946447.db2.gz YVLKWRPTLRNWDT-LJQANCHMSA-N 0 3 390.509 1.606 40 0 GDABHN Cc1nnnn1CCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019288395 570970429 /nfs/dbraw/zinc/97/04/29/570970429.db2.gz UDENXYPUDLRHQW-UHFFFAOYSA-N 0 3 384.484 1.694 40 0 GDABHN CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)n1 ZINC000019524655 570996423 /nfs/dbraw/zinc/99/64/23/570996423.db2.gz ZDLNLDAQYIUMGT-MRXNPFEDSA-N 0 3 390.513 1.563 40 0 GDABHN CCN1C[C@@H](C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1=O ZINC000019526851 570997590 /nfs/dbraw/zinc/99/75/90/570997590.db2.gz DUZDSMPUWPHXOV-CVEARBPZSA-N 0 3 398.511 1.177 40 0 GDABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C(C)(C)C)C1)C2=O ZINC000019699850 571030896 /nfs/dbraw/zinc/03/08/96/571030896.db2.gz LATFTAGOBNXWAL-OAHLLOKOSA-N 0 3 378.517 1.818 40 0 GDABHN CN(C)CCNC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ccccc2)CC1 ZINC000101084969 231009844 /nfs/dbraw/zinc/00/98/44/231009844.db2.gz IOAVZAQTSPFAFO-MAEOIBBWSA-N 0 3 388.512 1.017 40 0 GDABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1 ZINC000008636235 291109250 /nfs/dbraw/zinc/10/92/50/291109250.db2.gz IPBMRGGYSZDGDZ-IRFCIJBXSA-N 0 3 386.540 1.282 40 0 biogenic,in-vitro GDABHN CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000224313235 136206780 /nfs/dbraw/zinc/20/67/80/136206780.db2.gz SNPHVVCQXDXPLS-UHFFFAOYSA-N 0 3 384.440 1.668 40 0 GDABHN O=C(N1CCn2c(nnc2[C@@H]2CCCN2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000072373940 222242931 /nfs/dbraw/zinc/24/29/31/222242931.db2.gz ANPHRNDPACYQKB-KRWDZBQOSA-N 0 3 399.470 1.932 40 0 GDABHN COc1ccc(CNCCn2nc([C@H]3CCN(C(C)=O)C3)c3nccnc32)cc1 ZINC000072391606 222248934 /nfs/dbraw/zinc/24/89/34/222248934.db2.gz CTGOOKFGTALNFJ-KRWDZBQOSA-N 0 3 394.479 1.961 40 0 GDABHN COc1ccc(CC(=O)NCCn2nc([C@@H]3CCN(C)C3)c3nccnc32)cc1 ZINC000072391663 222249712 /nfs/dbraw/zinc/24/97/12/222249712.db2.gz GGNHSMYPJVDPMZ-MRXNPFEDSA-N 0 3 394.479 1.613 40 0 GDABHN CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N(C)CCN(C)C ZINC000096113144 222382505 /nfs/dbraw/zinc/38/25/05/222382505.db2.gz BWIBAZSKLXJRDD-DLBZAZTESA-N 0 3 380.920 1.612 40 0 biogenic,in-vitro GDABHN O[C@@]1(CN2CCOCC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000585270578 570239237 /nfs/dbraw/zinc/23/92/37/570239237.db2.gz MOTFUODFJOQAKT-OAQYLSRUSA-N 0 3 386.496 1.231 40 0 GDABHN COc1cccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)c1 ZINC000585283072 570251141 /nfs/dbraw/zinc/25/11/41/570251141.db2.gz BIAHTXFWQDWMAG-GMAHTHKFSA-N 0 3 398.503 1.742 40 0 GDABHN CC(C)Oc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000219147918 570348656 /nfs/dbraw/zinc/34/86/56/570348656.db2.gz OMBOILJQPKVNCL-UHFFFAOYSA-N 0 3 383.514 1.450 40 0 GDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104926 570934203 /nfs/dbraw/zinc/93/42/03/570934203.db2.gz XGPNREAFHHCGPH-HXUWFJFHSA-N 0 3 388.508 1.789 40 0 GDABHN O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CCN(Cc3ccco3)C[C@@H]21 ZINC000306131454 570939951 /nfs/dbraw/zinc/93/99/51/570939951.db2.gz KEYILSCNPSFKDZ-FUHWJXTLSA-N 0 3 378.432 1.666 40 0 GDABHN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N1CCN(C2CCCCC2)CC1 ZINC000020098335 570940840 /nfs/dbraw/zinc/94/08/40/570940840.db2.gz UXEQZMJDIBMJIR-GOSISDBHSA-N 0 3 378.521 1.884 40 0 GDABHN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019374864 570981994 /nfs/dbraw/zinc/98/19/94/570981994.db2.gz VTLJLCPWYKKEGA-YOEHRIQHSA-N 0 3 391.475 1.954 40 0 GDABHN CC(=O)N1CCc2nc(C3CCN(C(=O)CN4CCCC[C@H]4C)CC3)ncc2C1 ZINC000019496339 570989584 /nfs/dbraw/zinc/98/95/84/570989584.db2.gz QBBHARKNZRZWHF-MRXNPFEDSA-N 0 3 399.539 1.962 40 0 GDABHN COc1ccc2c(c1)OC1(CCN(C)CC1)CN(CC(=O)N1CCCC1)C2=O ZINC000019588356 571015790 /nfs/dbraw/zinc/01/57/90/571015790.db2.gz CEYYLZRQQVDWBN-UHFFFAOYSA-N 0 3 387.480 1.617 40 0 GDABHN COc1ccc2c(CN3CCC(C(N)=O)(N4CCOCC4)CC3)cn(C)c2c1 ZINC000019658742 571024845 /nfs/dbraw/zinc/02/48/45/571024845.db2.gz NTDYQCHRYAJVEG-UHFFFAOYSA-N 0 3 386.496 1.339 40 0 GDABHN Cc1cc(S(=O)(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)ccc1F ZINC000019710981 571034512 /nfs/dbraw/zinc/03/45/12/571034512.db2.gz YGCVZEDUNHLTJA-AWEZNQCLSA-N 0 3 393.488 1.739 40 0 GDABHN NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000575423937 532013596 /nfs/dbraw/zinc/01/35/96/532013596.db2.gz HAPLUEYWTILNKG-VIFPVBQESA-N 0 3 387.310 1.130 40 0 GDABHN COc1ccccc1C(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391634 222248393 /nfs/dbraw/zinc/24/83/93/222248393.db2.gz OPWQTMFWERBFDO-AWEZNQCLSA-N 0 3 380.452 1.684 40 0 GDABHN COCCNC(=O)[C@@H]1CCC[C@@H](NCc2cccc(OC)c2)CN(C)C(=O)C1 ZINC000096113439 222381444 /nfs/dbraw/zinc/38/14/44/222381444.db2.gz MQHMKVDLEUKFER-QZTJIDSGSA-N 0 3 391.512 1.565 40 0 biogenic,in-vitro GDABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN(CCO)Cc2ccccc2)C1 ZINC000585283779 570251779 /nfs/dbraw/zinc/25/17/79/570251779.db2.gz HNZAXTRPQPVKDD-RBBKRZOGSA-N 0 3 384.476 1.119 40 0 GDABHN CN(C)CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000224412712 570512253 /nfs/dbraw/zinc/51/22/53/570512253.db2.gz PQVNJAQGFBGKSS-UHFFFAOYSA-N 0 3 375.494 1.799 40 0 GDABHN Cc1ccccc1C(=O)N[C@H](C)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000208474900 570741987 /nfs/dbraw/zinc/74/19/87/570741987.db2.gz OIISGLIGEAHBGH-OAHLLOKOSA-N 0 3 381.480 1.500 40 0 GDABHN COCC(=O)N1CC[C@H](c2c3cccnc3sc2C(=O)NCCN(C)C)C1 ZINC000257242992 570768819 /nfs/dbraw/zinc/76/88/19/570768819.db2.gz IFCOVRATVZHXAA-ZDUSSCGKSA-N 0 3 390.509 1.550 40 0 GDABHN CCCCc1cc(C(=O)N2CCC[C@@](O)(CN3CCN(C)CC3)CC2)[nH]n1 ZINC000257330273 570783017 /nfs/dbraw/zinc/78/30/17/570783017.db2.gz XNQOQWSCCLRHNJ-FQEVSTJZSA-N 0 3 377.533 1.357 40 0 GDABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585104017 570929580 /nfs/dbraw/zinc/92/95/80/570929580.db2.gz ZEXQAPPYSRNYAC-HXUWFJFHSA-N 0 3 397.523 1.887 40 0 GDABHN CS(=O)(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125610 570936935 /nfs/dbraw/zinc/93/69/35/570936935.db2.gz CVOJLGYRACEUTO-LPHOPBHVSA-N 0 3 393.509 1.467 40 0 GDABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccncc2)C1 ZINC000306127462 570937237 /nfs/dbraw/zinc/93/72/37/570937237.db2.gz FZCSPFJKVWWXGY-FQEVSTJZSA-N 0 3 395.488 1.457 40 0 GDABHN Cc1ncc(CN2CC[C@@]3(C2)COCc2cnc(N4C[C@@H](C)O[C@@H](C)C4)nc23)[nH]1 ZINC000306127618 570937544 /nfs/dbraw/zinc/93/75/44/570937544.db2.gz GDPBRUIKKWUZFO-LRAJWGHMSA-N 0 3 398.511 1.796 40 0 GDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1 ZINC000019590270 571017208 /nfs/dbraw/zinc/01/72/08/571017208.db2.gz XDYQEBRWGYAEHU-CQSZACIVSA-N 0 3 396.447 1.919 40 0 GDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1 ZINC000019590270 571017211 /nfs/dbraw/zinc/01/72/11/571017211.db2.gz XDYQEBRWGYAEHU-CQSZACIVSA-N 0 3 396.447 1.919 40 0 GDABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc(C)n1 ZINC000019697980 571030644 /nfs/dbraw/zinc/03/06/44/571030644.db2.gz KLAQSIBUPGYSEC-HXUWFJFHSA-N 0 3 396.495 1.769 40 0 GDABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218191398 531027797 /nfs/dbraw/zinc/02/77/97/531027797.db2.gz LTFPHXCXOHEUNL-MBNYWOFBSA-N 0 3 376.272 1.468 40 0 GDABHN COc1ccccc1CNc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000328991037 212092497 /nfs/dbraw/zinc/09/24/97/212092497.db2.gz IRUOLEROBVLGRO-UHFFFAOYSA-N 0 3 378.480 1.977 40 0 GDABHN CN(C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccn2)n1 ZINC000328959846 212091069 /nfs/dbraw/zinc/09/10/69/212091069.db2.gz AVFLOBYLRXBJPO-UHFFFAOYSA-N 0 3 378.436 1.828 40 0 GDABHN CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297553 221035518 /nfs/dbraw/zinc/03/55/18/221035518.db2.gz WLJAASZPFAHRAS-NRSPTQNISA-N 0 3 396.539 1.709 40 0 biogenic,in-vitro GDABHN CN(C)CCN1CC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC1=O ZINC000015673014 221338653 /nfs/dbraw/zinc/33/86/53/221338653.db2.gz QMDMQMIVDCATQZ-IRXDYDNUSA-N 0 3 379.526 1.497 40 0 biogenic,in-vitro GDABHN CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@@H](C)N4CCCCC4)C3)ncc2C1 ZINC000019077736 221395705 /nfs/dbraw/zinc/39/57/05/221395705.db2.gz XUKVXXXFOYUFQY-NVXWUHKLSA-N 0 3 385.512 1.572 40 0 GDABHN COCC(=O)N1CCC2(C[C@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096052910 222374553 /nfs/dbraw/zinc/37/45/53/222374553.db2.gz IZWWBHTZMWMKMK-KRWDZBQOSA-N 0 3 387.524 1.748 40 0 GDABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1)N1CCCC1 ZINC000096263177 222404640 /nfs/dbraw/zinc/40/46/40/222404640.db2.gz BDTRZPVRYZKFED-SFHVURJKSA-N 0 3 381.480 1.791 40 0 GDABHN CN1CCC(N2CCC(O)(c3csc(CN4CC[C@@H](O)C4)n3)CC2)CC1 ZINC000225422304 560043591 /nfs/dbraw/zinc/04/35/91/560043591.db2.gz TYORDCROKQWKIR-MRXNPFEDSA-N 0 3 380.558 1.087 40 0 biogenic,in-vitro GDABHN O=C(NCCN1CCCC1)C1=NO[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096225586 570219984 /nfs/dbraw/zinc/21/99/84/570219984.db2.gz ZHKCAGINQHNRRD-FQEVSTJZSA-N 0 3 385.468 1.651 40 0 GDABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1)N1CCOCC1 ZINC000096243713 570223596 /nfs/dbraw/zinc/22/35/96/570223596.db2.gz XOZVRZBRRIRZQB-GOSISDBHSA-N 0 3 397.479 1.027 40 0 GDABHN COCCN1CCC2(CC3(CCN(C(=O)CC(C)C)CC3)N(C)C2=O)CC1 ZINC000096262348 570226001 /nfs/dbraw/zinc/22/60/01/570226001.db2.gz SMGHKGBSUXZUGM-UHFFFAOYSA-N 0 3 379.545 1.984 40 0 GDABHN CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585269649 570238218 /nfs/dbraw/zinc/23/82/18/570238218.db2.gz GGKNGKRHQUPUTO-HSZRJFAPSA-N 0 3 396.535 1.845 40 0 GDABHN CCC(CC)N1CCN(C(=O)COC)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282615 570250538 /nfs/dbraw/zinc/25/05/38/570250538.db2.gz LTRUDYAUEARYRO-FQEVSTJZSA-N 0 3 382.476 1.915 40 0 GDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000020801613 570281657 /nfs/dbraw/zinc/28/16/57/570281657.db2.gz HYNYRLSWKVYECI-HOTGVXAUSA-N 0 3 392.887 1.684 40 0 GDABHN O=C(CNCCN1CCOCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000035311539 570324194 /nfs/dbraw/zinc/32/41/94/570324194.db2.gz KZPGKLGQJPZCAT-UHFFFAOYSA-N 0 3 388.512 1.563 40 0 GDABHN COc1ccccc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000113966440 570337820 /nfs/dbraw/zinc/33/78/20/570337820.db2.gz QTRYUJVMAUBLSG-UHFFFAOYSA-N 0 3 383.514 1.452 40 0 GDABHN COc1ccc(OC)c(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000220223980 570383908 /nfs/dbraw/zinc/38/39/08/570383908.db2.gz JZPSRJFCSGFVGV-CYBMUJFWSA-N 0 3 399.513 1.069 40 0 GDABHN O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cccc21 ZINC000028948453 570466908 /nfs/dbraw/zinc/46/69/08/570466908.db2.gz UPROBLPRPWYJGN-UHFFFAOYSA-N 0 3 377.441 1.823 40 0 in-vitro GDABHN CCOCCOc1ccc(CN(C)C[C@@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257319451 570486861 /nfs/dbraw/zinc/48/68/61/570486861.db2.gz VSPNYGOSDODOIP-NRFANRHFSA-N 0 3 386.496 1.965 40 0 GDABHN COCc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040392110 570600264 /nfs/dbraw/zinc/60/02/64/570600264.db2.gz UQILGQNABQZTDX-UHFFFAOYSA-N 0 3 396.426 1.953 40 0 GDABHN CN(C)CCN(Cc1cc2cc3c(cc2n2nnnc12)OCO3)C(=O)C1CCC1 ZINC000004898751 570637491 /nfs/dbraw/zinc/63/74/91/570637491.db2.gz BGVDBYZDZJDSCV-UHFFFAOYSA-N 0 3 396.451 1.697 40 0 GDABHN Cc1cc(C(=O)N2CCC[C@](O)(C[N@@H+]3CCc4ccccc4C3)CC2)[n-]c(=O)n1 ZINC000257223008 570763214 /nfs/dbraw/zinc/76/32/14/570763214.db2.gz DVMPQTFNEMVDAV-JOCHJYFZSA-N 0 3 396.491 1.906 40 0 GDABHN Cc1cc(C(=O)N2CCC[C@](O)(C[N@H+]3CCc4ccccc4C3)CC2)[n-]c(=O)n1 ZINC000257223008 570763217 /nfs/dbraw/zinc/76/32/17/570763217.db2.gz DVMPQTFNEMVDAV-JOCHJYFZSA-N 0 3 396.491 1.906 40 0 GDABHN O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306127588 570937412 /nfs/dbraw/zinc/93/74/12/570937412.db2.gz GCXMDUXXGYQLEY-RTBURBONSA-N 0 3 388.475 1.907 40 0 GDABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2cccnc2)C1 ZINC000306139923 570944365 /nfs/dbraw/zinc/94/43/65/570944365.db2.gz UEDKBDWGOSUENW-HXUWFJFHSA-N 0 3 395.488 1.457 40 0 GDABHN O=C(COc1ncnc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019376148 570982372 /nfs/dbraw/zinc/98/23/72/570982372.db2.gz QSFOKMHAKFGIRA-GOSISDBHSA-N 0 3 390.447 1.808 40 0 GDABHN Cc1c(-c2cncn2CCN[C@@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 ZINC000019654454 571022679 /nfs/dbraw/zinc/02/26/79/571022679.db2.gz WGYPFJCAOFBCQM-GOSISDBHSA-N 0 3 399.520 1.880 40 0 GDABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)Cn3cccn3)c2)CC1 ZINC000019698237 571030530 /nfs/dbraw/zinc/03/05/30/571030530.db2.gz XCXAWFPXNFTSHA-FQEVSTJZSA-N 0 3 396.495 1.619 40 0 GDABHN CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1 ZINC000019715994 571037908 /nfs/dbraw/zinc/03/79/08/571037908.db2.gz IHQBGFXZJOAXJJ-UHFFFAOYSA-N 0 3 379.526 1.566 40 0 GDABHN