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317 SMILES Strings for mevalonate kinase

Compound NameSMILES String
BDBM29632 CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
BDBM31693 CCOC(=O)N1CCN(CC(=O)Nc2cc(OCC)ccc2OCC)CC1
BDBM30974 COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
BDBM30983 COc1ccccc1N1CCN(Cc2ccsc2)CC1
BDBM31037 COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1
BDBM31038 COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
BDBM31044 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
BDBM34336 O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
BDBM34233 O=c1n([se]c2ccccc12)-c1ccccc1
BDBM34324 Cc1cccc(Nc2nnc(S)s2)c1C
BDBM34334 O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
BDBM33511 Cc1ccc(OCC(=O)N2CCC(CC2)N2CCCCCC2)cc1
BDBM34340 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
BDBM34579 CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
BDBM34352 C1CN(CCO1)Sc1nc2ccccc2[nH]1
BDBM34595 CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
BDBM34548 S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
BDBM34471 COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1cccc(O)c1 |(9.75,-4.65,;9.75,-3.11,;8.41,-2.34,;7.08,-3.11,;5.75,-2.34,;5.75,-.8,;4.41,-.03,;3.08,-.8,;7.08,-.03,;8.41,-.8,;7.08,1.51,;8.33,2.41,;7.85,3.88,;6.31,3.88,;5.84,2.41,;4.37,1.94,;9.79,1.94,;10.94,2.97,;12.4,2.49,;12.72,.99,;11.58,-.04,;11.9,-1.55,;10.11,.43,)|
BDBM38058 CN(C)C(CNc1ncnc2sc(C)c(C)c12)c1ccco1
BDBM37977 Cc1csc(NC(=O)CN2CCCCCC2)n1
BDBM38008 COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1CC1CCCO1
BDBM37546 COc1ccc(cc1OC)-c1nc(C#N)c(o1)N1CCOCC1
BDBM37958 COC(=O)C1=C(C)OC(=N)C(C#N)C1c1cc(OC)c(OCC(N)=O)cc1Cl |c:4|
BDBM37959 CN(C)c1ccc(CNCCC2(O)CCOC(C)(C)C2)cc1
BDBM37756 CCOC(=O)C1CCN(Cc2ccc(cc2)C(=O)OC)CC1
BDBM38648 OCCN(Cc1ccccc1)Cc1ccccc1F
BDBM38649 CCOC(=O)N1CCN(CC1)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1
BDBM38650 COc1ccc(CN2CCN(CC2)c2ccccn2)cc1OCc1ccccc1
BDBM38651 COc1ccccc1N1CCN(Cc2cc(OC)c(OC)cc2OC)CC1
BDBM38652 COc1cc(CNCc2ccc(OC)c(OC)c2OC)cc(OC)c1
BDBM38691 CN(C)CCCOc1ccc(C)cc1Br
BDBM38692 OCC1CCCN(Cc2ccc(cc2)-c2ccccc2)C1
BDBM38604 CCS(=O)(=O)NCCc1csc(C)n1
BDBM38605 Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(C)cc1
BDBM38606 COc1cc(Nc2n(Cc3ccco3)c(=O)c3ccc[nH]c23)cc(OC)c1
BDBM38607 CCN(CC)S(=O)(=O)c1ccc(Nc2n(Cc3ccccc3)c(=O)c3ccc[nH]c23)cc1
BDBM38656 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(Cn2nnc3ccccc23)c1
BDBM38657 CCOC(=O)C1CCN(C\C=C\c2ccccc2OC)CC1
BDBM38693 COc1ccc(CN2CCN(CC2)c2ccccc2)c(C)c1C
BDBM38694 Clc1cc(Br)ccc1OCCOCCN1CCOCC1
BDBM38695 Clc1ccccc1OCCCCN1CCCC1
BDBM38696 COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1
BDBM38733 CN1CCCN(Cc2ccccc2C(F)(F)F)CC1
BDBM38734 Cc1cccc(OCCCCCn2ccnc2)c1
BDBM38735 CCOc1cccc(OCCCNCCCOC)c1
BDBM38736 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1C
BDBM38737 COc1ccc(CN2CCN(CC2)C(=O)CC(C)C)c(OC)c1OC
BDBM38775 Cc1ccccc1OCCCN1CCCC1
BDBM38653 [#6]-[#6](-[#8])-[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](-[#6])-[#8]
BDBM38654 COc1ccccc1\C=C\CN1CCOCC1
BDBM38697 O=C(C1CCN(CC2CCCCC2)CC1)N1CCCC1
BDBM38698 CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
BDBM38776 CCOc1cccc(OCCCCN2CCOCC2)c1
BDBM38777 COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1
BDBM38778 COc1cc(CN2CC(C)OC(C)C2)cc(OC)c1
BDBM38608 Cc1ccc(cc1)-c1cn2c(n[nH]c2=S)s1
BDBM38609 CC(C)c1nn(-c2ccccc2)c(=S)[nH]1
BDBM38655 CCOC(=O)N1CCN(Cc2ccccc2F)CC1
BDBM38699 CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2C)C1
BDBM38700 COc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
BDBM38701 CN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl
BDBM38738 C=CCc1ccccc1OCCCCN1CCCC1
BDBM38739 FC(F)(F)c1cccc(c1)N1CCN(Cc2cccnc2)CC1
BDBM38740 COc1ccc(CN2CCN(CC2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
BDBM38779 CCN(CC)C(=O)C1CCCN(Cc2ccc(cc2)N(C)C)C1
BDBM38780 CCOc1cc(CN2CCSCC2)ccc1O
BDBM38781 Fc1ccc(CN2CCCCCCC2)cc1F
BDBM38782 COc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
BDBM38610 O=C(C1CCCN(Cc2cccnc2)C1)N1CCCCC1
BDBM38611 CCn1c(CC(C)C)n[nH]c1=S
BDBM38612 COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
BDBM38658 CCOc1ccccc1OCCCCN1CCCC1
BDBM38659 OCCN(CC1CCCCC1)Cc1ccccc1
BDBM38660 COc1ccc(CCN(C)Cc2ccncc2)cc1OC
BDBM38702 CCOC(=O)C1CCN(CC1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1
BDBM38703 CCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2)CC1
BDBM38705 COc1ccccc1CN1CCN(CC1)C(=O)Cc1ccccc1
BDBM38706 CCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
BDBM38707 COc1ccccc1N1CCN(CCc2n[nH]c(=S)n2-c2ccccc2)CC1
BDBM38708 CN(C)CCN(Cc1ccccc1)c1ccnc(N(C)C)c1C#N
BDBM38709 C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1ccccc1
BDBM38741 Cc1ccsc1CN1CCN(CC1)c1ccccn1
BDBM38742 COc1cc(CN2CCSCC2)cc(OC)c1OC
BDBM38743 O=C(N1CCN(CC1)C1CCCC1)c1ccco1
BDBM38744 CCOc1cc(cc(OCC)c1OCC)C(=O)NCCN1CCOCC1
BDBM38745 COc1ccccc1CNCc1cc(OC)c(OC)cc1OC
BDBM38746 COc1ccc(CN2CCN(CC2)C(=O)Cc2ccccc2)c(OC)c1
BDBM38747 COc1cc(cc(OC)c1OC)C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
BDBM38748 CCS(=O)(=O)N1CCN(CC1)C(C)CCc1ccccc1
BDBM38749 COc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
BDBM38783 CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1
BDBM38784 COc1cccc(CN2CCN(CC2)c2ncccn2)c1
BDBM38613 COCc1cc(C)c(C#N)c(=S)[nH]1
BDBM38614 O=C(CSc1nnc(CNC(=O)c2ccco2)o1)N1CCN(CC1)c1ccccc1
BDBM38615 COc1ccc(NC(=O)c2cc(on2)-c2ccccc2OC)cc1
BDBM38661 CCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
BDBM38662 On1c2CCCC(=O)c2nc1-c1ccccc1
BDBM38704 COc1cc2CCN(Cc3cccs3)Cc2cc1OC
BDBM38785 CCOC(=O)C1CCCN(Cc2cc(Br)ccc2OC)C1
BDBM38786 CC(C)(C)c1ccccc1OCCN1CCCC1
BDBM38787 COc1ccc(cc1)N1CC(CC1=O)C(=O)NCCCN1CCOCC1
BDBM38616 COc1ccc(Cl)cc1NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
BDBM38617 CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
BDBM38618 CCn1c(SCC(=O)c2ccccc2)nc2CC(C)Sc2c1=O
BDBM38619 CCOC(=O)C1CCCN(Cc2cc(Br)c(OC)cc2OC)C1
BDBM38663 COc1ccccc1\C=C\CN1CC(C)OC(C)C1
BDBM38664 CCCN(CCO)Cc1cccc(Cl)c1
BDBM38665 COc1ccccc1NS(=O)(=O)c1cccc2cccnc12
BDBM38788 CCOc1cc(CN2CCN(CC2)C(=O)c2ccco2)ccc1OC
BDBM38789 Clc1ccc(SCCn2ccnc2)cc1
BDBM38790 CC(C)c1ccc(OCCN2CCCC2)cc1C
BDBM38791 FC(F)(F)c1ccccc1CN1CCN(CC1)C(=O)c1ccco1
BDBM38792 COc1ccc(CN2CCN(CC2)C(=O)c2cccs2)cc1Br
BDBM38620 COc1cccc(OCCCCN2CCCCC2)c1
BDBM38666 Cc1cc(NC(=O)c2cc(on2)C2CC2)no1
BDBM38667 OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
BDBM38668 CC(C)OCCCNC(=O)CN1c2ccccc2S(=O)(=O)C(C)(C)CC1=O
BDBM38621 CCn1nnc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)n1
BDBM38622 CN(Cc1ccccc1)Cc1c(F)cccc1F
BDBM38623 CCOC(=O)C1CCCN(Cc2ccccc2C)C1
BDBM38669 CCOc1ccc2nc(sc2c1)N1CCCC(C1)C(=O)N1CCN(CC)CC1
BDBM38670 COc1ccc(cc1)N(CC(=O)NCc1cccs1)S(=O)(=O)c1cccnc1
BDBM38671 Cn1cccc1Cc1nnc(SCC(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1
BDBM38672 CC1CCCC(C1)N1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM38673 COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl
BDBM38674 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCC1
BDBM38710 CN(CCc1ccccn1)Cc1cccc(C)c1
BDBM38711 COc1cccc(CNCc2ccccn2)c1OC
BDBM38712 CCOC(=O)C1CCN(Cc2ccc(OC)c(C)c2OC)CC1
BDBM38713 COc1cccc(CN2CCN(CC2)C(=O)CC(C)C)c1
BDBM38750 FC(F)(F)c1cccc(CN2CCCCCC2)c1
BDBM38751 COc1cccc(OC)c1OCCCCN1CCCC1
BDBM38752 COc1ccc(CN2CCN(CC2)C(=O)CC(C)C)cc1OC
BDBM38624 C\C=C(/C)CN1CCN(CC1)c1ccccc1F
BDBM38625 CCc1ccccc1OCCCCN1CCCC1
BDBM38626 Fc1ccccc1OCCCN1CCOCC1
BDBM38627 O=C(C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccncc1)c1ccc2OCOc2c1
BDBM38714 COC1CCCCC1Nc1cc(C)ccc1C
BDBM38715 CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1
BDBM38716 CCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
BDBM38717 CCOc1cc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)ccc1O
BDBM38753 COc1cc(CNC2CCCC2)cc(OC)c1
BDBM38754 CSc1ccc(CN2CCC(O)CC2)cc1
BDBM38755 Fc1ccccc1NC1CCN(Cc2ccccc2)CC1
BDBM38756 COc1cc(OC)cc(c1)C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
BDBM38757 COc1cc(C)c(CN2CCN(CC2)c2ccccc2)cc1C
BDBM38628 CN(CCc1ccccn1)Cc1ccc(C)cc1
BDBM38629 COc1ccc(C)cc1NCc1cccc(OC)c1OC
BDBM38675 Cc1noc(C)c1CSc1nnc(C)c(=O)[nH]1
BDBM38601 Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C |(3.57,4.68,;4.6,3.53,;4.12,2.07,;5.15,.92,;6.65,1.24,;7.68,.09,;7.2,-1.37,;8.1,-2.61,;9.64,-2.61,;10.41,-1.28,;11.95,-1.28,;12.72,-2.61,;11.95,-3.94,;10.41,-3.94,;9.64,-5.28,;7.2,-3.85,;7.68,-5.31,;5.75,-3.38,;4.41,-4.15,;3.08,-3.38,;3.08,-1.84,;4.41,-1.07,;5.75,-1.84,;7.13,2.7,;6.1,3.85,;6.58,5.31,)|
BDBM38602 COc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c3cccc4nonc34)sc2c1
BDBM38603 COc1ccc(c(OC)c1)-n1c(=O)n(CC(=O)NCc2ccco2)c2sc3CCCc3c2c1=O |(3.08,-5.84,;3.55,-4.37,;5.06,-4.05,;6.09,-5.19,;7.6,-4.86,;8.07,-3.39,;7.03,-2.25,;7.5,-.79,;6.47,.35,;5.53,-2.58,;9.57,-3.07,;10.07,-1.54,;9.04,-.39,;11.64,-1.22,;12.13,.24,;13.64,.54,;14.66,-.62,;14.13,2,;15.64,2.3,;16.14,3.76,;15.25,5.02,;16.17,6.25,;17.62,5.76,;17.61,4.22,;12.69,-2.43,;14.23,-2.43,;14.71,-3.89,;15.95,-4.8,;15.47,-6.25,;13.94,-6.25,;13.46,-4.8,;12.22,-3.89,;10.65,-4.25,;10.19,-5.72,)|
BDBM38630 CCOC(=O)CN(C)Cc1c[nH]c2ccccc12
BDBM38631 CCOC(=O)CC1N(CCNC1=O)C(=O)Nc1ccccc1
BDBM38632 CCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
BDBM38676 Cc1cccc(NC(=O)c2cnc3sccn3c2=O)n1
BDBM38677 Cc1c(c(=O)n(C)c(=O)n1C)S(=O)(=O)Nc1cccc(Cl)c1
BDBM38678 CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C
BDBM38718 CCOc1ccc(OCCCCN(C)C)cc1
BDBM38719 C(CN1CCCC1)Oc1ccc2ccccc2c1
BDBM38720 C\C(CN1CCN(CC1)c1ccccc1)=C/c1ccccc1
BDBM38721 COc1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)c2ccccc2F)cc1OC
BDBM38722 COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1OC
BDBM38723 COc1cc(CN2CCN(CC2)C(=O)COc2ccccc2)cc(OC)c1OC
BDBM38724 COc1ccc(OC)c(CN2CCN(CC2)c2ccccc2OC)c1
BDBM38725 COc1ccccc1N1CCN(Cc2ccc(Br)o2)CC1
BDBM38758 CCOc1cccc(OCCOCCN2CCCC2)c1
BDBM38759 COc1c(Br)cc2c(C)c(oc2c1Br)C(O)=O
BDBM38760 O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccn2)CC1
BDBM38633 CCCN(CCO)Cc1ccc(Cl)c(Cl)c1
BDBM38634 COCC(C)NCc1ccc(C)cc1C
BDBM38635 [H]C12CC(CN3CCN(CC3)c3ccccc3)C([H])(C1)C=C2 |c:23,THB:4:3:19:20.21|
BDBM38679 CCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1
BDBM38680 CC(C)(C)NCc1cccn1-c1sc2CCCCc2c1C#N
BDBM38681 Cc1cccc(CN2CCN(CC2)c2ccccn2)c1
BDBM38727 Clc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1
BDBM38728 Fc1cccc(c1)C(=O)N1CCN(Cc2ccco2)CC1
BDBM38761 COc1cc(CNc2ccc3CCCc3c2)cc(OC)c1O
BDBM38762 COc1ccc(cc1)N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O
BDBM38763 CCN(CC)C(=O)C1CCCN(C\C=C\c2ccccc2)C1
BDBM38636 OCCN(Cc1ccccc1)Cc1cccc(F)c1
BDBM38637 FC(F)(F)c1cccc(c1)N1CCN(Cc2ccoc2)CC1
BDBM38638 CN(CCc1ccccn1)Cc1ccc(Cl)cc1
BDBM38639 CCOC(=O)C1CCCN(Cc2ccccc2OCC)C1
BDBM38682 O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC1
BDBM38683 C(N1CCCCCCC1)c1c[nH]c2ccccc12
BDBM38684 CCOC(=O)C1CCCCN1Cc1ccc(F)c(Br)c1
BDBM38685 COc1ccccc1N1CCN(Cc2ccccc2F)CC1
BDBM38686 COc1cccc(c1)N1CCN(Cc2cccnc2)CC1
BDBM38687 Cc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
BDBM38764 COc1ccccc1N1CCN(Cc2ccc(OC)c3ccccc23)CC1
BDBM38765 Oc1ccc(cc1)-c1n[nH]c(=S)n1Cc1ccccc1
BDBM38640 CCOC(=O)N1CCN(Cc2ccccc2Cl)CC1
BDBM38641 CCc1ccc(CN(C)CCc2ccccn2)cc1
BDBM38642 COc1ccc(CCNCc2cc(OC)c(OC)cc2OC)cc1OC
BDBM38726 Fc1cccc(CN2CCN(CC2)c2ncccn2)c1
BDBM38766 CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM38767 Fc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
BDBM38643 C=CCn1cnc2c(NCc3ccccc3)ncnc12
BDBM38644 CCOC(=O)C1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1
BDBM38688 Brc1ccccc1OCCCN1CCOCC1
BDBM38689 CCN(CC)CCOc1ccc(Br)cc1
BDBM38690 CCOc1cc(CN2CCN(CC2)c2ccc(cc2)C(C)=O)ccc1OC
BDBM38729 CCCCOc1ccc(CN2CCC(O)CC2)cc1
BDBM38730 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#7](-[#6])-[#6]-[#6]-c1ccccn1
BDBM38731 COc1cccc(CN2CCN(CC2)C(=O)c2cccc(F)c2)c1
BDBM38732 COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
BDBM38768 Cc1ccc(OCCOCCn2ccnc2)c(Br)c1
BDBM38769 Clc1ccccc1OCCN1CCCCC1
BDBM38770 CCOC(=O)C1CCN(Cc2ccc(cc2)N(C)C)CC1
BDBM38771 CC(=O)Nc1ccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
BDBM38772 CCOC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1
BDBM38773 CC(C)c1ccc(OCCOCCN2CCCC2)cc1C
BDBM38774 CCOC(=O)C1CCCN(Cc2ccc(OC)cc2OC)C1
BDBM38645 COc1cc(CN2CCN(CC2)c2ccccc2F)cc(OC)c1O
BDBM38646 CCOC(=O)C1CCCN(CCC(C)c2ccccc2)C1
BDBM38647 Fc1cccc(F)c1CN1CCN(CC1)c1ccccc1F
BDBM38210 O=C(C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1
BDBM38532 CC(C)C1Oc2ccccc2N(CC(=O)NCCCN2C(C)CCCC2C)C1=O
BDBM38533 Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1
BDBM38534 CCOC(=O)N1CCN(Cc2cn3ccccc3n2)CC1
BDBM38580 O=c1n(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nnc2ccccc12
BDBM38581 Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)c1cccc(C)c1
BDBM38582 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCc2ccccc2C1
BDBM38583 O=C(COC(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NCc1ccccc1
BDBM38063 COc1ccc(cc1)N1C(C)=CS\C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 |c:11|
BDBM38138 O=C(N1CCCc2ccccc12)c1cc(on1)-c1ccco1
BDBM38223 CC(C)(C)c1ccccc1OCCCCCNCCO
BDBM38227 CCn1c2ccccc2c2cc(CN3CCN(CC3)C(=O)c3ccco3)ccc12
BDBM38315 COC(=O)c1ccc(Nc2cc(C)nc(n2)-c2ccccc2O)cc1
BDBM38318 Fc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCCC1
BDBM38531 Oc1c(CN2CCCCC2)c(=O)oc2ccccc12
BDBM38585 CN1C(=CC(=O)COC(=O)c2c(C)noc2C)C(C)(C)c2ccccc12 |w:3.3|
BDBM38586 CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12
BDBM38587 Cc1nn(c2Sc3nc4ccccc4n3C(O)c12)-c1ccccc1
BDBM38588 CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1
BDBM38113 Oc1c(-c2ccccc2)c(=O)c2cccc3CCCn1c23
BDBM38177 Cc1occc1C(=O)Nc1nnc(s1)C(F)(F)F
BDBM38361 O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM38535 Cc1nnc(SCCN2CCOCC2)n1C
BDBM38536 CCCCn1c(Cl)nc2n(C)c(=O)n(C)c(=O)c12
BDBM38537 O=C(CN1CCN(CC1)C1CCCCC1)NCCC1=CCCCC1 |t:20|
BDBM38538 CCOc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC
BDBM38539 CCCCOc1ccc(NC(=O)CN2CCN(CC2)C(=O)OCC)cc1
BDBM38540 Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1
BDBM38541 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2ccc(C)cc2C)c1
BDBM38542 COc1cccc(C(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)c1OC |(2.16,.95,;2.16,2.49,;3.49,3.26,;4.83,2.49,;6.16,3.26,;6.16,4.8,;4.83,5.57,;4.83,7.11,;3.49,7.88,;6.16,7.88,;6.16,9.42,;7.5,10.19,;8.83,9.42,;8.83,7.88,;7.5,7.11,;10.16,10.19,;11.5,9.42,;12.83,10.19,;12.83,11.73,;11.5,12.5,;10.16,11.73,;14.16,12.5,;15.5,11.73,;16.83,12.5,;16.83,14.05,;15.5,14.82,;14.16,14.05,;3.49,4.8,;2.16,5.57,;.83,4.8,)|
BDBM38543 Cc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1ccco1
BDBM38544 COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1O
BDBM38546 COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3CCCc3c2c1=O
BDBM38547 CN(CCC(=O)Nc1ccc2OCOc2c1)Cc1ccccc1
BDBM38548 COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1
BDBM38549 OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
BDBM37505 Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1
BDBM38578 COc1ncnc(OC)c1NC(=O)c1ccc(F)cc1
BDBM38579 O=C(NCc1cn2ccccc2n1)c1ccccc1
BDBM38545 CCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
BDBM38162 CN1C(C(C(O)=O)c2ccccc2C1=O)c1sccc1C
BDBM38514 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cccc(C)c2C)c1
BDBM38516 [H]C12CC(CN3CCN(CC3)C(=O)COc3ccccc3)C([H])(C1)C=C2 |c:27,THB:4:3:23:24.25|
BDBM38517 CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(CC1)C(=O)c1ccco1
BDBM38518 Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2ncnc2n1
BDBM38519 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cccc(C)c2)c1
BDBM38520 O=C(CN1CCN(CC1)c1ncccn1)NCCC1=CCCCC1 |t:20|
BDBM38521 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cc(C)ccc2C)c1
BDBM38522 CCOc1ccccc1CN1CCN(CC1)S(=O)(=O)CC
BDBM38523 CCN(CC)C(=O)CN1CCN(CC1)c1ccccc1F
BDBM38524 CC(C)NC(=O)CSc1nnc(-c2ccc(cc2)S(=O)(=O)N2CCCC2)n1CC1CCCO1
BDBM38525 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C)CC2)cc1
BDBM38526 CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(C)C2)c2cccc(C)c2)c1
BDBM38527 Fc1ccc(NC(=O)N2CCC(CC2)c2nc3n(Cc4cccc(Cl)c4)nnc3c(=O)[nH]2)cc1
BDBM38528 O=C(CN1CCN(CC1)C1CCCCC1)Nc1ccccc1-c1ccccc1
BDBM38529 O=C(CN1CCN(CC1)c1ncccn1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM38515 CCS(=O)(=O)N1CCN(CC1)C1CCC(C)CC1 |(9.68,.83,;11.01,1.6,;11.01,3.14,;9.47,3.14,;12.55,3.14,;11.01,4.68,;12.34,5.45,;12.34,6.99,;11.01,7.76,;9.68,6.99,;9.68,5.45,;11.01,9.3,;12.34,10.07,;12.34,11.61,;11.01,12.38,;11.01,13.92,;9.68,11.61,;9.68,10.07,)|
BDBM38550 Cc1cc(=O)n([nH]1)-c1ccccc1
BDBM38551 CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1
BDBM38584 C(Sc1nnc2ccccn12)c1ccc2OCOc2c1
BDBM38552 Nc1c2CCN(C3CCCCC3)c2nc2ccccc12
BDBM38553 Nc1c2CCN(c2nc2ccccc12)c1ccccc1
BDBM38554 ONC(=N)CCN1CCOCC1
BDBM38555 COc1cccc(OC)c1OCC(C)CNCC1CCCO1
BDBM38556 CCCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OC |c:9|
BDBM38589 Cc1ccc(cc1)-c1csc2n[nH]c(=S)n12
BDBM38590 Cc1cc(C)n(CCCNCC(O)c2ccccc2)n1
BDBM38591 COc1ccccc1COCC(O)CNCC1(CCCCC1)N1CCCCC1
BDBM38592 Cn1c(SCCOc2cccc(Cl)c2)nnc1-c1ccncc1
BDBM38593 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
BDBM38594 O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1
BDBM38595 Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
BDBM38596 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Br)o1
BDBM38597 COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1
BDBM38598 COc1cc(CN(C)CCc2ccccn2)cc(OC)c1OC
BDBM38599 COc1cc(OC)c(OC)cc1CN(C)CCc1ccccn1
BDBM38600 COc1ccccc1C(=O)NCCc1nc2ccccc2n1C
BDBM38203 Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc12
BDBM38557 CCOc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
BDBM38558 O=C(N1CCC(CC1)N1CCN(CC1)c1ccccc1)c1cccs1
BDBM38559 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCCCC1
BDBM38560 O=C(N1CCC(CC1)N1CCN(CC1)c1ccccc1)c1cccc2ccccc12
BDBM38561 COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccc(C)c(Cl)c1
BDBM38562 COc1ccccc1N1CCN(CC1)C1CCN(CC1)C(=O)c1cc(OC)c(OC)c(OC)c1
BDBM38563 COc1cc(OC)cc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1
BDBM38564 CC1CN(CC(C)O1)C1CCN(CC1)C(=O)c1ccccc1Cl
BDBM38565 O=C(CSc1nc(ccc1C#N)-c1cccnc1)Nc1sc2CCCc2c1C#N
BDBM38566 COc1ccc(cc1OC)C(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1
BDBM38567 COc1ccccc1N1CCN(CC1)C1CCN(CC1)C(=O)c1cccs1
BDBM38568 COc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC
BDBM38569 COc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(C)cc1
BDBM38570 COc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1OC
BDBM38571 CN(CCc1ccccn1)C(=O)COc1ccc(C)cc1
BDBM38572 CN1CCN(CC1)c1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc2ccccc12
BDBM38573 COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
BDBM38574 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)cc1 |c:23|
BDBM38575 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:23|
BDBM38576 O=C(CCc1ccc(cc1)S(=O)(=O)N1CCOCC1)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
BDBM38577 O=C(COC(=O)C1=COCCO1)N1CC(=O)Nc2ccccc12 |t:6|
BDBM50244216 O=c1n2CCCc2nc2ccccc12