0 B15R1.646 CCN(CC)C(=O)C(=O)c1ccccc1 WXVL_AN0042SB0050 [0,0,0,0,0,0|1,0,1]=2 1 B15R1.646 CCN(CC)C(=O)C(=O)c1ccccc1 WXVL_AN0042SB0050 [0,0,0,0,0,0|1,0,1]=2 2 B15R1.646 CCN(CC)C(=O)C(C)c1ccccc1 WXVL_AN0042SB2326 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.646 CCN(CC)C(=O)C(C)c1ccccc1 WXVL_AN0042SB2326 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.646 CCN(CC)C(=O)C(O)c1ccccc1 WXVL_AN0042SB0168 [0,0,0,0,0,0|1,0,3]=4 5 B15R1.646 CCN(CC)C(=O)C(O)c1ccccc1 WXVL_AN0042SB0168 [0,0,0,0,0,0|1,0,3]=4 6 B14R1.58 CC[C@H](CO)NC(=O)c1ccccc1 WXVL_AK0111SD0001 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.58 CC[C@H](CO)NC(=O)c1ccccc1 WXVL_AK0111SD0001 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.532 CCN(CC)C(=O)Cc1ccccc1 WXVL_AN0042SB0092 [1,0,0,0,0,0|1,0,2]=4 9 B14R1.532 CCN(CC)C(=O)Cc1ccccc1 WXVL_AN0042SB0092 [1,0,0,0,0,0|1,0,2]=4 10 B16R1.747 CCN(CC)C(=O)C(=O)c1ccc(cc1)C WXVL_AN0042SB7750 [0,1,0,0,0,0|1,0,1]=3 11 B16R1.747 CCN(CC)C(=O)C(=O)c1ccc(cc1)C WXVL_AN0042SB7750 [0,1,0,0,0,0|1,0,1]=3 12 B16R1.747 CCN(CC)C(=O)C(=O)c1ccc(cc1)Cl WXVL_AN0042SB3791 [0,1,0,0,0,0|1,0,1]=3 13 B16R1.747 CCN(CC)C(=O)C(=O)c1ccc(cc1)Cl WXVL_AN0042SB3791 [0,1,0,0,0,0|1,0,1]=3 14 B16R1.1575 CCN(CCO)C(=O)C(=O)c1ccccc1 WXVL_AN3174SB0050 [0,1,0,0,0,0|1,0,1]=3 15 B16R2.2516 O=C(c1ccccc1)N2CCC[C@H]2CO WXVL_AN0917SD0001 [0,0,0,1,0,0|3,0,0]=4 16 B16R2.6780 O=C(C(=O)N1CCCC1)c2ccccc2 WXVL_AN0008SB0050 [0,0,0,1,0,0|1,0,1]=3 17 B16R2.6780 O=C(C(=O)N1CCCC1)c2ccccc2 WXVL_AN0008SB0050 [0,0,0,1,0,0|1,0,1]=3 18 B14R1.530 CCN(CC)C(=O)C(=O)c1ccco1 WXVL_AN0042SA0049 [0,0,0,0,1,0|2,0,1]=4 19 B14R1.530 CCN(CC)C(=O)C(=O)c1ccco1 WXVL_AN0042SA0049 [0,0,0,0,1,0|2,0,1]=4 20 B16R1.544 CCN(CC)C(=O)NC(=O)c1ccccc1 WXVL_AN0042YV0027 [0,0,0,0,0,1|1,0,1]=3 21 B16R1.544 CCN(CC)C(=O)NC(=O)c1ccccc1 WXVL_AN0042YV0027 [0,0,0,0,0,1|1,0,1]=3 22 B16R1.568 C=C(Cc1ccccc1)C(=O)N(CC)CC WXVL_AN0042SB0413 [0,0,0,0,0,1|2,0,1]=4 23 B16R1.568 C=C(Cc1ccccc1)C(=O)N(CC)CC WXVL_AN0042SB0413 [0,0,0,0,0,1|2,0,1]=4 24 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [2,0,0,0,0,0|2,0,0]=4 26 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [2,0,0,0,0,0|1,0,1]=4 27 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [2,0,0,0,0,0|1,0,1]=4 28 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 WXVL_AN0073SD0001 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 WXVL_AN0073SD0001 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.152 CN(C)C(=O)C(=O)c1ccccc1 WXVL_AN0032SB0050 [2,0,0,0,0,0|1,0,1]=4 31 B13R1.152 CN(C)C(=O)C(=O)c1ccccc1 WXVL_AN0032SB0050 [2,0,0,0,0,0|1,0,1]=4 32 B15R1.524 CC[C@H](NC(=O)c1ccccc1)[C@@H](C)O WXVL_AK00602SD0001 [1,1,0,0,0,0|2,0,0]=4 33 B15R1.524 CC[C@H](NC(=O)c1ccccc1)[C@@H](C)O WXVL_AK00602SD0001 [1,1,0,0,0,0|2,0,0]=4 34 B15R1.502 CC(C)N(C)C(=O)C(=O)c1ccccc1 WXVL_AN0073SB0050 [1,1,0,0,0,0|1,0,1]=4 35 B15R1.502 CC(C)N(C)C(=O)C(=O)c1ccccc1 WXVL_AN0073SB0050 [1,1,0,0,0,0|1,0,1]=4 36 B15R1.578 CN(CCO)C(=O)C(=O)c1ccccc1 WXVL_AN2670SB0050 [1,1,0,0,0,0|1,0,1]=4 37 B15R1.578 CN(CCO)C(=O)C(=O)c1ccccc1 WXVL_AN2670SB0050 [1,1,0,0,0,0|1,0,1]=4 38 B17R1.123 CCN(CCO)C(=O)NC(=O)c1ccccc1 WXVL_AN3174YV0027 [0,1,0,0,0,1|1,0,1]=4 39 B17R1.641 CCN(CC)C(=O)C(=O)Cc1ccc(cc1)O WXVL_AN0042SB2710 [0,1,0,0,0,1|1,0,1]=4 40 B17R1.641 CCN(CC)C(=O)C(=O)Cc1ccc(cc1)O WXVL_AN0042SB2710 [0,1,0,0,0,1|1,0,1]=4 41 B17R1.15732 CCC(C(=O)Nc1ccccc1)N(CC)CC WXVL_AG00183SBF745 [0,1,0,0,0,1|0,0,0]=2 42 B17R1.15732 CCC(C(=O)Nc1ccccc1)N(CC)CC WXVL_AG00183SBF745 [0,1,0,0,0,1|0,0,0]=2 43 B17R1.15732 CCC(C(=O)Nc1ccccn1)N(CC)CC WXVL_AF00298SBF745 [0,1,0,0,0,1|1,0,0]=3 44 B17R1.15732 CCC(C(=O)Nc1ccccn1)N(CC)CC WXVL_AF00298SBF745 [0,1,0,0,0,1|1,0,0]=3 45 B17R1.15732 CCC(C(=O)Nc1cccnn1)N(CC)CC WXVL_AF0151SBF745 [0,1,0,0,0,1|2,0,0]=4 46 B17R1.15732 CCC(C(=O)Nc1cccnn1)N(CC)CC WXVL_AF0151SBF745 [0,1,0,0,0,1|2,0,0]=4 47 B17R1.15732 CCC(C(=O)Nc1ccncn1)N(CC)CC WXVL_AF0139SBF745 [0,1,0,0,0,1|2,0,0]=4 48 B17R1.15732 CCC(C(=O)Nc1ccncn1)N(CC)CC WXVL_AF0139SBF745 [0,1,0,0,0,1|2,0,0]=4 49 B17R1.15732 CCC(C(=O)Nc1ccnnc1)N(CC)CC WXVL_AF0624SBF745 [0,1,0,0,0,1|2,0,0]=4 50 B17R1.15732 CCC(C(=O)Nc1ccnnc1)N(CC)CC WXVL_AF0624SBF745 [0,1,0,0,0,1|2,0,0]=4 51 B17R1.15732 CCC(C(=O)Nc1cnccn1)N(CC)CC WXVL_AF0120SBF745 [0,1,0,0,0,1|2,0,0]=4 52 B17R1.15732 CCC(C(=O)Nc1cnccn1)N(CC)CC WXVL_AF0120SBF745 [0,1,0,0,0,1|2,0,0]=4 53 B17R1.15732 CCC(C(=O)Nc1cncnc1)N(CC)CC WXVL_AF0085SBF745 [0,1,0,0,0,1|2,0,0]=4 54 B17R1.15732 CCC(C(=O)Nc1cncnc1)N(CC)CC WXVL_AF0085SBF745 [0,1,0,0,0,1|2,0,0]=4 55 B17R1.1694 CCN(CCO)C(=O)C(=O)c1ccc(cc1)C WXVL_AN3174SB7750 [0,2,0,0,0,0|1,0,1]=4 56 B17R1.1694 CCN(CCO)C(=O)C(=O)c1ccc(cc1)Cl WXVL_AN3174SB3791 [0,2,0,0,0,0|1,0,1]=4 57 B17R1.5139 CCCN(CCC)C(=O)C(=O)c1ccccc1 WXVL_AN00632SB0050 [0,2,0,0,0,0|1,0,1]=4 58 B17R1.5139 O=C(C(=O)N(CCO)CCO)c1ccccc1 WXVL_AN00660SB0050 [0,2,0,0,0,0|1,0,1]=4 59 B17R1.18046 CCCN(C(=O)C(=O)c1ccccc1)C(C)C WXVL_AN7248SB0050 [0,2,0,0,0,0|1,0,1]=4 60 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 WXVL_AN00593SD0001 [1,0,0,1,0,0|2,0,0]=4 61 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCOC2 WXVL_AKJ995SD0001 [0,0,0,1,0,1|2,0,0]=4 62 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCOC2 WXVL_AKJ995SD0001 [0,0,0,1,0,1|2,0,0]=4 63 B17R2.18474 O=C(NC(=O)N1CCCC1)c2ccccc2 WXVL_AN0008YV0027 [0,0,0,1,0,1|1,0,1]=4 64 B17R2.18474 O=C(NC(=O)N1CCCC1)c2ccccc2 WXVL_AN0008YV0027 [0,0,0,1,0,1|1,0,1]=4 65 B17R2.198 Cc1ccc(cc1)C(=O)C(=O)N2CCCC2 WXVL_AN0008SB7750 [0,1,0,1,0,0|1,0,1]=4 66 B17R2.198 Cc1ccc(cc1)C(=O)C(=O)N2CCCC2 WXVL_AN0008SB7750 [0,1,0,1,0,0|1,0,1]=4 67 B17R2.198 O=C(C(=O)N1CCCC1)c2ccc(cc2)Cl WXVL_AN0008SB3791 [0,1,0,1,0,0|1,0,1]=4 68 B17R2.198 O=C(C(=O)N1CCCC1)c2ccc(cc2)Cl WXVL_AN0008SB3791 [0,1,0,1,0,0|1,0,1]=4 69 B17R2.3517 C[C@@H]1CCCN1C(=O)C(=O)c2ccccc2 WXVL_AN00593SB0050 [0,1,0,1,0,0|1,0,1]=4 70 B17R2.8654 CC1CCN(C1)C(=O)C(=O)c2ccccc2 WXVL_AN0556SB0050 [0,1,0,1,0,0|1,0,1]=4 71 B17R2.8654 CC1CCN(C1)C(=O)C(=O)c2ccccc2 WXVL_AN0556SB0050 [0,1,0,1,0,0|1,0,1]=4 72 B17R2.8654 C[C@@H]1CCN(C1)C(=O)C(=O)c2ccccc2 WXVL_AN00488SB0050 [0,1,0,1,0,0|1,0,1]=4 73 B17R2.8654 C[C@@H]1CCN(C1)C(=O)C(=O)c2ccccc2 WXVL_AN00488SB0050 [0,1,0,1,0,0|1,0,1]=4 74 B17R2.8654 C[C@H]1CCN(C1)C(=O)C(=O)c2ccccc2 WXVL_AN00094SB0050 [0,1,0,1,0,0|1,0,1]=4 75 B17R2.8654 C[C@H]1CCN(C1)C(=O)C(=O)c2ccccc2 WXVL_AN00094SB0050 [0,1,0,1,0,0|1,0,1]=4 76 B17R2.8654 O=C(C(=O)N1CCC(C1)Br)c2ccccc2 WXVL_AN00715SB0050 [0,1,0,1,0,0|1,0,1]=4 77 B17R2.8654 O=C(C(=O)N1CCC(C1)F)c2ccccc2 WXVL_AN00338SB0050 [0,1,0,1,0,0|1,0,1]=4 78 B17R2.8654 O=C(C(=O)N1CCC(C1)F)c2ccccc2 WXVL_AN00338SB0050 [0,1,0,1,0,0|1,0,1]=4 79 B17R2.8654 O=C(C(=O)N1CCC(C1)O)c2ccccc2 WXVL_AN0158SB0050 [0,1,0,1,0,0|1,0,1]=4 80 B17R2.8654 O=C(C(=O)N1CCC(C1)O)c2ccccc2 WXVL_AN0158SB0050 [0,1,0,1,0,0|1,0,1]=4 81 B17R2.8654 O=C(C(=O)N1CC[C@@H](C1)O)c2ccccc2 WXVL_AN00391SB0050 [0,1,0,1,0,0|1,0,1]=4 82 B17R2.8654 O=C(C(=O)N1CC[C@@H](C1)O)c2ccccc2 WXVL_AN00391SB0050 [0,1,0,1,0,0|1,0,1]=4 83 B17R2.8654 O=C(C(=O)N1CC[C@H](C1)F)c2ccccc2 WXVL_AN00035SB0050 [0,1,0,1,0,0|1,0,1]=4 84 B17R2.8654 O=C(C(=O)N1CC[C@H](C1)F)c2ccccc2 WXVL_AN00035SB0050 [0,1,0,1,0,0|1,0,1]=4 85 B17R2.8654 O=C(C(=O)N1CC[C@H](C1)O)c2ccccc2 WXVL_AN00543SB0050 [0,1,0,1,0,0|1,0,1]=4 86 B17R2.10155 CCN(C(=O)C(=O)c1ccccc1)C2CC2 WXVL_AN0137SB0050 [0,1,0,1,0,0|1,0,1]=4 87 B17R2.10155 CCN(C(=O)C(=O)c1ccccc1)C2CC2 WXVL_AN0137SB0050 [0,1,0,1,0,0|1,0,1]=4 88 B17R2.10205 O=C(C(=O)N1CCOCC1)c2ccccc2 WXVL_AN00478SB0050 [0,1,0,1,0,0|1,0,1]=4 89 B17R2.10205 O=C(C(=O)N1CCOCC1)c2ccccc2 WXVL_AN00478SB0050 [0,1,0,1,0,0|1,0,1]=4 90 B17R2.10205 O=C(C(=O)N1CCSCC1)c2ccccc2 WXVL_AN0896SB0050 [0,1,0,1,0,0|1,0,1]=4 91 B17R3.128644 O=C(c1ccccc1)N2C3CCC2CC3 WXVL_AN00445SD0001 [0,0,0,2,0,0|2,0,0]=4 92 B17R3.128644 O=C(c1ccccc1)N2C3CCC2CC3 WXVL_AN00445SD0001 [0,0,0,2,0,0|2,0,0]=4 93 B17R3.128648 O=C(c1ccccc1)N2CC3CCC2C3 WXVL_AN3504SD0001 [0,0,0,2,0,0|2,0,0]=4 94 B13R1.86 CCN(CC)C(=O)c1ccccc1 WXVL_AN0042SD0001 [1,0,0,0,1,0|0,0,0]=2 95 B13R1.86 CCN(CC)C(=O)c1ccccc1 WXVL_AN0042SD0001 [1,0,0,0,1,0|0,0,0]=2 96 B13R1.86 CCN(CC)C(=O)c1ccccn1 WXVL_AN0042SC0058 [1,0,0,0,1,0|1,0,0]=3 97 B13R1.86 CCN(CC)C(=O)c1ccccn1 WXVL_AN0042SC0058 [1,0,0,0,1,0|1,0,0]=3 98 B13R1.86 CCN(CC)C(=O)c1cccnc1 WXVL_AN0042SC0061 [1,0,0,0,1,0|1,0,0]=3 99 B13R1.86 CCN(CC)C(=O)c1cccnc1 WXVL_AN0042SC0061 [1,0,0,0,1,0|1,0,0]=3 100 B13R1.86 CCN(CC)C(=O)c1cccnn1 WXVL_AN0042SC0374 [1,0,0,0,1,0|2,0,0]=4 101 B13R1.86 CCN(CC)C(=O)c1cccnn1 WXVL_AN0042SC0374 [1,0,0,0,1,0|2,0,0]=4 102 B13R1.86 CCN(CC)C(=O)c1ccncc1 WXVL_AN0042SC0062 [1,0,0,0,1,0|1,0,0]=3 103 B13R1.86 CCN(CC)C(=O)c1ccncc1 WXVL_AN0042SC0062 [1,0,0,0,1,0|1,0,0]=3 104 B13R1.86 CCN(CC)C(=O)c1ccncn1 WXVL_AN0042SC0231 [1,0,0,0,1,0|2,0,0]=4 105 B13R1.86 CCN(CC)C(=O)c1ccncn1 WXVL_AN0042SC0231 [1,0,0,0,1,0|2,0,0]=4 106 B13R1.86 CCN(CC)C(=O)c1ccnnc1 WXVL_AN0042SC0064 [1,0,0,0,1,0|2,0,0]=4 107 B13R1.86 CCN(CC)C(=O)c1ccnnc1 WXVL_AN0042SC0064 [1,0,0,0,1,0|2,0,0]=4 108 B13R1.86 CCN(CC)C(=O)c1cncnc1 WXVL_AN0042SC0097 [1,0,0,0,1,0|2,0,0]=4 109 B13R1.86 CCN(CC)C(=O)c1cncnc1 WXVL_AN0042SC0097 [1,0,0,0,1,0|2,0,0]=4 110 B13R1.86 CCN(CC)C(=O)c1ncccn1 WXVL_AN0042SC0096 [1,0,0,0,1,0|2,0,0]=4 111 B13R1.86 CCN(CC)C(=O)c1ncccn1 WXVL_AN0042SC0096 [1,0,0,0,1,0|2,0,0]=4 112 B15R1.488 CCN(CC)C(=O)/C=C/c1ccccc1 WXVL_AN0042SB0115 [1,0,0,0,0,1|1,0,1]=4 113 B15R1.488 CCN(CC)C(=O)/C=C/c1ccccc1 WXVL_AN0042SB0115 [1,0,0,0,0,1|1,0,1]=4 114 B17R1.629 CCN(CC)C(=O)CNC(=O)c1ccccc1 WXVL_AN0042SB0466 [0,0,0,0,0,2|1,0,1]=4 115 B17R1.629 CCN(CC)C(=O)CNC(=O)c1ccccc1 WXVL_AN0042SB0466 [0,0,0,0,0,2|1,0,1]=4