0 B20R1.67918 CCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0447 [0,0,0,0,0,0|1,0,0]=1 1 B20R1.67918 CCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0447 [0,0,0,0,0,0|1,0,0]=1 2 B20R1.67918 CCCCCCCCCC(=O)NCCn1ccnc1C WXVL_AK00419SB0447 [0,0,0,0,0,0|3,0,0]=3 3 B20R1.67918 CCCCCCCCCC(=O)NCCn1ccnc1C WXVL_AK00419SB0447 [0,0,0,0,0,0|3,0,0]=3 4 B20R1.67918 CCCCCCCCNC(=O)CCCn1ccnc1C WXVL_AK1818SA1278 [0,0,0,0,0,0|4,0,0]=4 5 B20R1.67918 CCCCCCCCNC(=O)CCCn1ccnc1C WXVL_AK1818SA1278 [0,0,0,0,0,0|4,0,0]=4 6 B20R1.67918 CCCCCCCCNC(=O)NCCc1scnc1C WXVL_AK00194YV0182 [0,0,0,0,0,0|2,0,0]=2 7 B20R1.67918 CCCCCCCCNC(=O)NCCc1scnc1C WXVL_AK00194YV0182 [0,0,0,0,0,0|2,0,0]=2 8 B20R1.67918 CCCCCCCCNC(=O)NCCn1ccnc1C WXVL_AK00419YV0182 [0,0,0,0,0,0|4,0,0]=4 9 B20R1.67918 CCCCCCCCNC(=O)NCCn1ccnc1C WXVL_AK00419YV0182 [0,0,0,0,0,0|4,0,0]=4 10 B19R1.46476 CCCCCCCCCC(=O)NCCc1ccco1 WXVL_AK0989SB0447 [1,0,0,0,0,0|2,1,0]=4 11 B19R1.46476 CCCCCCCCCC(=O)NCCc1ccco1 WXVL_AK0989SB0447 [1,0,0,0,0,0|2,1,0]=4 12 B19R1.46476 CCCCCCCCCC(=O)NCCc1cccs1 WXVL_AK0098SB0447 [1,0,0,0,0,0|2,0,0]=3 13 B19R1.46476 CCCCCCCCCC(=O)NCCc1cccs1 WXVL_AK0098SB0447 [1,0,0,0,0,0|2,0,0]=3 14 B19R1.46476 CCCCCCCCCC(=O)NCCc1ccsc1 WXVL_AK1342SB0447 [1,0,0,0,0,0|3,0,0]=4 15 B19R1.46476 CCCCCCCCCC(=O)NCCc1ccsc1 WXVL_AK1342SB0447 [1,0,0,0,0,0|3,0,0]=4 16 B19R1.46476 CCCCCCCCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0447 [1,0,0,0,0,0|2,0,0]=3 17 B19R1.46476 CCCCCCCCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0447 [1,0,0,0,0,0|2,0,0]=3 18 B19R1.46476 CCCCCCCCCC(=O)NCCc1nccs1 WXVL_AK0181SB0447 [1,0,0,0,0,0|3,0,0]=4 19 B19R1.46476 CCCCCCCCCC(=O)NCCc1nccs1 WXVL_AK0181SB0447 [1,0,0,0,0,0|3,0,0]=4 20 B19R1.46476 CCCCCCCCCC(=O)NCCn1ccnc1 WXVL_AK00034SB0447 [1,0,0,0,0,0|3,0,0]=4 21 B19R1.46476 CCCCCCCCCC(=O)NCCn1ccnc1 WXVL_AK00034SB0447 [1,0,0,0,0,0|3,0,0]=4 22 B19R1.46476 CCCCCCCCNC(=O)NCCc1cccs1 WXVL_AK0098YV0182 [1,0,0,0,0,0|3,0,0]=4 23 B19R1.46476 CCCCCCCCNC(=O)NCCc1cccs1 WXVL_AK0098YV0182 [1,0,0,0,0,0|3,0,0]=4 24 B19R1.46476 CCCCCCCCNC(=O)NCCc1cnc[nH]1 WXVL_AK0479YV0182 [1,0,0,0,0,0|3,0,0]=4 25 B19R1.46476 CCCCCCCCNC(=O)NCCc1cnc[nH]1 WXVL_AK0479YV0182 [1,0,0,0,0,0|3,0,0]=4 26 B19R1.48340 CCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0409 [1,0,0,0,0,0|1,0,0]=2 27 B19R1.48340 CCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0409 [1,0,0,0,0,0|1,0,0]=2 28 B19R1.48340 CCCCCCCCC(=O)NCCn1ccnc1C WXVL_AK00419SB0409 [1,0,0,0,0,0|3,0,0]=4 29 B19R1.48340 CCCCCCCCC(=O)NCCn1ccnc1C WXVL_AK00419SB0409 [1,0,0,0,0,0|3,0,0]=4 30 B19R1.48340 Cc1ncsc1CCNC(=O)CCCCCCCBr WXVL_AK00194SB0559 [1,0,0,0,0,0|2,0,0]=3 31 B19R1.48340 Cc1ncsc1CCNC(=O)CCCCCCCBr WXVL_AK00194SB0559 [1,0,0,0,0,0|2,0,0]=3 32 B19R1.48340 Cc1ncsc1CCNC(=O)CCCCCCCO WXVL_AK00194SB1306 [1,0,0,0,0,0|2,0,0]=3 33 B19R1.48340 Cc1ncsc1CCNC(=O)CCCCCCCO WXVL_AK00194SB1306 [1,0,0,0,0,0|2,0,0]=3 34 B21R1.19788 C=CCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0481 [0,1,0,0,0,0|1,0,1]=3 35 B21R1.19788 C=CCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0481 [0,1,0,0,0,0|1,0,1]=3 36 B21R1.19788 CCCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0490 [0,1,0,0,0,0|1,0,0]=2 37 B21R1.19788 CCCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0490 [0,1,0,0,0,0|1,0,0]=2 38 B21R1.19788 CCCCCCCCCCC(=O)NCCn1ccnc1C WXVL_AK00419SB0490 [0,1,0,0,0,0|3,0,0]=4 39 B21R1.19788 CCCCCCCCCCC(=O)NCCn1ccnc1C WXVL_AK00419SB0490 [0,1,0,0,0,0|3,0,0]=4 40 B21R1.19788 CCCCCCCCCNC(=O)CCCn1ccnc1C WXVL_AK1826SA1278 [0,1,0,0,0,0|3,0,0]=4 41 B21R1.19788 CCCCCCCCCNC(=O)CCCn1ccnc1C WXVL_AK1826SA1278 [0,1,0,0,0,0|3,0,0]=4 42 B21R1.73518 COC(=O)CCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB3124 [0,1,0,0,0,0|2,0,1]=4 43 B21R1.73518 COC(=O)CCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB3124 [0,1,0,0,0,0|2,0,1]=4 44 B21R1.314265 CCCCCCCC(O)CC(=O)NCCc1scnc1C WXVL_AK00194SB4065 [0,1,0,0,0,0|1,0,0]=2 45 B21R1.314265 CCCCCCCC(O)CC(=O)NCCc1scnc1C WXVL_AK00194SB4065 [0,1,0,0,0,0|1,0,0]=2 46 B21R1.314265 CCCCCCCC(O)CC(=O)NCCn1ccnc1C WXVL_AK00419SB4065 [0,1,0,0,0,0|3,0,0]=4 47 B21R1.314265 CCCCCCCC(O)CC(=O)NCCn1ccnc1C WXVL_AK00419SB4065 [0,1,0,0,0,0|3,0,0]=4 48 B21R1.987150 CCCCCCCCCC(=O)NCCn1nc(nc1C)C WXVL_AK00081SB0447 [0,1,0,0,0,0|3,0,0]=4 49 B21R1.987150 CCCCCCCCCC(=O)NCCn1nc(nc1C)C WXVL_AK00081SB0447 [0,1,0,0,0,0|3,0,0]=4 50 B21R2.110491 Cc1ncsc1CCNC(=O)CCCCC2CCSS2 WXVL_AK00194SB1230 [0,0,0,1,0,0|3,0,0]=4 51 B21R2.110491 Cc1ncsc1CCNC(=O)CCCCC2CCSS2 WXVL_AK00194SB1230 [0,0,0,1,0,0|3,0,0]=4 52 B21R2.282337 CCCCCCCCCC(=O)N1CCc2ccsc2C1 WXVL_AN00467SB0447 [0,0,0,1,0,0|3,0,0]=4 53 B21R2.282337 CCCCCCCCCC(=O)N1CCc2ccsc2C1 WXVL_AN00467SB0447 [0,0,0,1,0,0|3,0,0]=4 54 B21R2.282337 CCCCCCCCCC(=O)N1CCc2nc[nH]c2C1 WXVL_AN00532SB0447 [0,0,0,1,0,0|2,0,1]=4 55 B21R2.282337 CCCCCCCCCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0447 [0,0,0,1,0,0|2,0,0]=3 56 B21R2.282337 CCCCCCCCCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0447 [0,0,0,1,0,0|2,0,0]=3 57 B21R2.282337 CCCCCCCCCC(=O)N1CCn2ccnc2C1 WXVL_AN00032SB0447 [0,0,0,1,0,0|3,0,0]=4 58 B21R2.282337 CCCCCCCCCC(=O)N1CCn2ccnc2C1 WXVL_AN00032SB0447 [0,0,0,1,0,0|3,0,0]=4 59 B21R2.282337 CCCCCCCCCC(=O)N1CCn2ncnc2C1 WXVL_AN0140SB0447 [0,0,0,1,0,0|3,0,0]=4 60 B21R2.282337 CCCCCCCCCC(=O)N1CCn2ncnc2C1 WXVL_AN0140SB0447 [0,0,0,1,0,0|3,0,0]=4 61 B21R2.282337 CCCCCCCCNC(=O)C1CCc2[nH]cnc2C1 WXVL_AK1818SA0923 [0,0,0,1,0,0|3,0,0]=4 62 B21R2.282337 CCCCCCCCNC(=O)C1CCc2[nH]cnc2C1 WXVL_AK1818SA0923 [0,0,0,1,0,0|3,0,0]=4 63 B21R2.282337 CCCCCCCCNC(=O)N1CCc2sccc2C1 WXVL_AN00496YV0182 [0,0,0,1,0,0|3,0,0]=4 64 B21R2.282337 CCCCCCCCNC(=O)N1CCc2sccc2C1 WXVL_AN00496YV0182 [0,0,0,1,0,0|3,0,0]=4 65 B19R1.30498 CCCCCCCCCC(=O)NCc1ccnn1C WXVL_AK00250SB0447 [0,0,0,0,1,0|3,0,0]=4 66 B19R1.30498 CCCCCCCCCC(=O)NCc1ccnn1C WXVL_AK00250SB0447 [0,0,0,0,1,0|3,0,0]=4 67 B19R1.30498 CCCCCCCCCC(=O)NCc1sccc1Cl WXVL_AK4332SB0447 [0,0,0,0,1,0|3,0,0]=4 68 B19R1.30498 CCCCCCCCCC(=O)NCc1sccc1Cl WXVL_AK4332SB0447 [0,0,0,0,1,0|3,0,0]=4 69 B21R1.19508 CCCCCCCCCC(=O)NCCCn1ccnc1C WXVL_AK7305SB0447 [0,0,0,0,0,1|3,0,0]=4 70 B21R1.19508 CCCCCCCCCC(=O)NCCCn1ccnc1C WXVL_AK7305SB0447 [0,0,0,0,0,1|3,0,0]=4 71 B21R1.66577 CCCCCCCCCC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0447 [0,0,0,0,0,1|3,0,0]=4 72 B21R1.66577 CCCCCCCCCC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0447 [0,0,0,0,0,1|3,0,0]=4 73 B21R1.78153 CCCCCCCCCC(=O)NCCc1ccccc1C WXVL_AK0254SB0447 [0,0,0,0,0,1|3,0,0]=4 74 B21R1.78153 CCCCCCCCCC(=O)NCCc1ccccc1C WXVL_AK0254SB0447 [0,0,0,0,0,1|3,0,0]=4 75 B18R1.21875 CCCCCCCCC(=O)NCCc1cccs1 WXVL_AK0098SB0409 [2,0,0,0,0,0|2,0,0]=4 76 B18R1.21875 CCCCCCCCC(=O)NCCc1cccs1 WXVL_AK0098SB0409 [2,0,0,0,0,0|2,0,0]=4 77 B18R1.21875 CCCCCCCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0409 [2,0,0,0,0,0|2,0,0]=4 78 B18R1.21875 CCCCCCCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0409 [2,0,0,0,0,0|2,0,0]=4 79 B18R1.23582 CCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0393 [2,0,0,0,0,0|1,0,0]=3 80 B18R1.23582 CCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB0393 [2,0,0,0,0,0|1,0,0]=3 81 B18R1.23582 Cc1ncsc1CCNC(=O)CCCCCCBr WXVL_AK00194SB1386 [2,0,0,0,0,0|2,0,0]=4 82 B18R1.23582 Cc1ncsc1CCNC(=O)CCCCCCBr WXVL_AK00194SB1386 [2,0,0,0,0,0|2,0,0]=4 83 B20R1.57916 CCCCCCCCCC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0447 [1,1,0,0,0,0|2,0,0]=4 84 B20R1.57916 CCCCCCCCCC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0447 [1,1,0,0,0,0|2,0,0]=4 85 B20R1.59018 CCCCCCCC(O)CC(=O)NCCc1cccs1 WXVL_AK0098SB4065 [1,1,0,0,0,0|2,0,0]=4 86 B20R1.59018 CCCCCCCC(O)CC(=O)NCCc1cccs1 WXVL_AK0098SB4065 [1,1,0,0,0,0|2,0,0]=4 87 B20R1.59018 CCCCCCCC(O)CC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB4065 [1,1,0,0,0,0|2,0,0]=4 88 B20R1.59018 CCCCCCCC(O)CC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB4065 [1,1,0,0,0,0|2,0,0]=4 89 B20R1.65916 CCCCCCCCCCC(=O)NCCc1cccs1 WXVL_AK0098SB0490 [1,1,0,0,0,0|2,0,0]=4 90 B20R1.65916 CCCCCCCCCCC(=O)NCCc1cccs1 WXVL_AK0098SB0490 [1,1,0,0,0,0|2,0,0]=4 91 B20R1.65916 CCCCCCCCCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0490 [1,1,0,0,0,0|2,0,0]=4 92 B20R1.65916 CCCCCCCCCCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0490 [1,1,0,0,0,0|2,0,0]=4 93 B20R1.770371 CCCCCCCCS(=O)(=O)NCCc1scnc1C WXVL_AK00194HU0331 [1,1,0,0,0,0|2,0,0]=4 94 B20R1.770371 CCCCCCCCS(=O)(=O)NCCc1scnc1C WXVL_AK00194HU0331 [1,1,0,0,0,0|2,0,0]=4 95 B22R1.42551 CCCCCCCCCC(=O)NCCc1ccncc1OC WXVL_AK00188SB0447 [0,1,0,0,0,1|2,0,0]=4 96 B22R1.42551 CCCCCCCCCC(=O)NCCc1ccncc1OC WXVL_AK00188SB0447 [0,1,0,0,0,1|2,0,0]=4 97 B22R1.119719 CCCCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB2796 [0,2,0,0,0,0|1,0,0]=3 98 B22R1.119719 CCCCCCCCCCCC(=O)NCCc1scnc1C WXVL_AK00194SB2796 [0,2,0,0,0,0|1,0,0]=3 99 B22R1.13953932 CCCCCCCCCCS(=O)(=O)NCCc1scnc1C WXVL_AK00194HU0549 [0,2,0,0,0,0|2,0,0]=4 100 B22R1.13953932 CCCCCCCCCCS(=O)(=O)NCCc1scnc1C WXVL_AK00194HU0549 [0,2,0,0,0,0|2,0,0]=4 101 B20R2.4868 Cc1ncsc1CCNC(=O)CCC2CCCCC2 WXVL_AK00194SB0049 [1,0,0,1,0,0|1,0,0]=3 102 B20R2.4868 Cc1ncsc1CCNC(=O)CCC2CCCCC2 WXVL_AK00194SB0049 [1,0,0,1,0,0|1,0,0]=3 103 B20R2.4868 Cc1ncsc1CCNC(=O)CCN2CCCCC2 WXVL_AK00194SB0127 [1,0,0,1,0,0|2,0,0]=4 104 B20R2.4868 Cc1ncsc1CCNC(=O)CCN2CCCCC2 WXVL_AK00194SB0127 [1,0,0,1,0,0|2,0,0]=4 105 B20R2.4868 Cc1ncsc1CCNC(=O)COC2CCCCC2 WXVL_AK00194SB3400 [1,0,0,1,0,0|2,0,0]=4 106 B20R2.4868 Cc1ncsc1CCNC(=O)COC2CCCCC2 WXVL_AK00194SB3400 [1,0,0,1,0,0|2,0,0]=4 107 B20R2.46929 CCCCCCCCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0409 [1,0,0,1,0,0|2,0,0]=4 108 B20R2.46929 CCCCCCCCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0409 [1,0,0,1,0,0|2,0,0]=4 109 B22R2.398469 CCCCCCCCCC(=O)N1CCc2cccnc2C1 WXVL_AN00388SB0447 [0,0,0,1,0,1|2,0,0]=4 110 B22R2.398469 CCCCCCCCCC(=O)N1CCc2cccnc2C1 WXVL_AN00388SB0447 [0,0,0,1,0,1|2,0,0]=4 111 B22R2.398469 CCCCCCCCCC(=O)N1CCc2ccncc2C1 WXVL_AN00244SB0447 [0,0,0,1,0,1|2,0,0]=4 112 B22R2.398469 CCCCCCCCCC(=O)N1CCc2ccncc2C1 WXVL_AN00244SB0447 [0,0,0,1,0,1|2,0,0]=4 113 B22R2.398469 CCCCCCCCCC(=O)N1CCc2ncncc2C1 WXVL_AN2746SB0447 [0,0,0,1,0,1|2,0,0]=4 114 B22R2.582032 CCCCCCCCCCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0490 [0,1,0,1,0,0|2,0,0]=4 115 B22R2.582032 CCCCCCCCCCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0490 [0,1,0,1,0,0|2,0,0]=4 116 B22R2.582032 CCCCCCCCCNC(=O)C1CCc2[nH]cnc2C1 WXVL_AK1826SA0923 [0,1,0,1,0,0|2,0,0]=4 117 B22R2.582032 CCCCCCCCCNC(=O)C1CCc2[nH]cnc2C1 WXVL_AK1826SA0923 [0,1,0,1,0,0|2,0,0]=4 118 B22R2.563296 CCCCCCCC(O)CC(=O)N1CCc2sccc2C1 WXVL_AN00496SB4065 [0,1,0,1,0,0|2,0,0]=4 119 B22R2.563296 CCCCCCCC(O)CC(=O)N1CCc2sccc2C1 WXVL_AN00496SB4065 [0,1,0,1,0,0|2,0,0]=4 120 B22R2.6949545 CCCCCCCCCC(=O)N1CCc2oc(nc2C1)C WXVL_AN7047SB0447 [0,1,0,1,0,0|1,1,0]=4 121 B22R2.6949545 CCCCCCCCCC(=O)N1CCc2oc(nc2C1)C WXVL_AN7047SB0447 [0,1,0,1,0,0|1,1,0]=4 122 B22R2.6949545 CCCCCCCCCC(=O)N1CCc2sc(cc2C1)Br WXVL_AN4030SB0447 [0,1,0,1,0,0|2,0,0]=4 123 B22R3.5788737 Cc1ncsc1CCNC(=O)CC23CCCN2CCC3 WXVL_AK00194SB00032 [0,0,0,2,0,0|2,0,0]=4 124 B22R3.5788737 Cc1ncsc1CCNC(=O)CC23CCCN2CCC3 WXVL_AK00194SB00032 [0,0,0,2,0,0|2,0,0]=4 125 B18R1.346 CCCCCCCCCC(=O)NCc1cccs1 WXVL_AK0014SB0447 [1,0,0,0,1,0|2,0,0]=4 126 B18R1.346 CCCCCCCCCC(=O)NCc1cccs1 WXVL_AK0014SB0447 [1,0,0,0,1,0|2,0,0]=4 127 B18R1.346 CCCCCCCCCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0447 [1,0,0,0,1,0|2,0,0]=4 128 B18R1.346 CCCCCCCCCC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0447 [1,0,0,0,1,0|2,0,0]=4 129 B18R1.346 CCCCCCCCCC(=O)NCc1cnco1 WXVL_AK1437SB0447 [1,0,0,0,1,0|1,1,0]=4 130 B18R1.346 CCCCCCCCCC(=O)NCc1cnco1 WXVL_AK1437SB0447 [1,0,0,0,1,0|1,1,0]=4 131 B18R1.346 CCCCCCCCCC(=O)NCc1cncs1 WXVL_AK0526SB0447 [1,0,0,0,1,0|1,0,0]=3 132 B18R1.346 CCCCCCCCCC(=O)NCc1cncs1 WXVL_AK0526SB0447 [1,0,0,0,1,0|1,0,0]=3 133 B18R1.346 CCCCCCCCNC(=O)CCc1cccs1 WXVL_AK1818SA0303 [1,0,0,0,1,0|2,0,0]=4 134 B18R1.346 CCCCCCCCNC(=O)CCc1cccs1 WXVL_AK1818SA0303 [1,0,0,0,1,0|2,0,0]=4 135 B18R1.346 CCCCCCCCNC(=O)CCc1cnc[nH]1 WXVL_AK1818SA0100 [1,0,0,0,1,0|2,0,0]=4 136 B18R1.346 CCCCCCCCNC(=O)CCc1cnc[nH]1 WXVL_AK1818SA0100 [1,0,0,0,1,0|2,0,0]=4 137 B18R1.346 CCCCCCCCNC(=O)NCc1cncs1 WXVL_AK0526YV0182 [1,0,0,0,1,0|2,0,0]=4 138 B18R1.346 CCCCCCCCNC(=O)NCc1cncs1 WXVL_AK0526YV0182 [1,0,0,0,1,0|2,0,0]=4 139 B18R1.24272 CCCCCCCCCC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0447 [0,0,0,0,2,0|2,0,0]=4 140 B18R1.24272 CCCCCCCCCC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0447 [0,0,0,0,2,0|2,0,0]=4