0 B14R1.60 C#CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB3070 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.60 C#CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB3070 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.60 C#CCC(=O)N(C)Cc1ccccn1 WXVL_AN0108SB3070 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.60 C#CCC(=O)N(C)Cc1ccccn1 WXVL_AN0108SB3070 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.60 C#CCC(=O)N(C)Cc1cccnc1 WXVL_AN0060SB3070 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.60 C#CCC(=O)N(C)Cc1cccnc1 WXVL_AN0060SB3070 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.60 CN(CC#N)C(=O)Cc1ccccc1 WXVL_AN2942SB0092 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.60 CN(CC#N)C(=O)Cc1ccccc1 WXVL_AN2942SB0092 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.60 CN(CC#N)C(=O)Cc1ccccn1 WXVL_AN2942SA0032 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.60 CN(CC#N)C(=O)Cc1ccccn1 WXVL_AN2942SA0032 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.60 CN(CC#N)C(=O)Cc1cccnc1 WXVL_AN2942SA0029 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.60 CN(CC#N)C(=O)Cc1cccnc1 WXVL_AN2942SA0029 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.60 CN(CC#N)C(=O)Cc1cccnc1 WXVL_AN2942SB00049 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.60 CN(CC#N)C(=O)Cc1cccnc1 WXVL_AN2942SB00049 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.60 CN(CC#N)C(=O)Cc1ccncc1 WXVL_AN2942SA00106 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.60 CN(CC#N)C(=O)Cc1ccncc1 WXVL_AN2942SA00106 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 WXVL_AN2670SB0092 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 WXVL_AN2670SB0092 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N WXVL_AN0033SB0057 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N WXVL_AN0033SB0057 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.42 C#CCC(=O)NCc1ccccc1 WXVL_AK00502SB3070 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.42 C#CCC(=O)NCc1ccccc1 WXVL_AK00502SB3070 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.44 N#CCNC(=O)Cc1ccccc1 WXVL_AK0683SB0092 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.44 N#CCNC(=O)Cc1ccccc1 WXVL_AK0683SB0092 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.135 C#CC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0338 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.135 C#CC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0338 [1,0,0,0,0,0|3,0,0]=4 26 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)Br WXVL_AN2272SB3070 [0,1,0,0,0,0|3,0,0]=4 27 B15R1.48 C#CCC(=O)N(C)Cc1ccc(cc1)Br WXVL_AN2272SB3070 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)Br WXVL_AN2942SB0926 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)Br WXVL_AN2942SB0926 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)Cl WXVL_AN2942SB0107 [0,1,0,0,0,0|2,0,1]=4 31 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)Cl WXVL_AN2942SB0107 [0,1,0,0,0,0|2,0,1]=4 32 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)F WXVL_AN2942SB0106 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)F WXVL_AN2942SB0106 [0,1,0,0,0,0|2,0,1]=4 34 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)O WXVL_AN2942SB0110 [0,1,0,0,0,0|2,0,1]=4 35 B15R1.48 CN(CC#N)C(=O)Cc1ccc(cc1)O WXVL_AN2942SB0110 [0,1,0,0,0,0|2,0,1]=4 36 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CC#N WXVL_AN2942SB0112 [0,1,0,0,0,0|2,0,1]=4 37 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CC#N WXVL_AN2942SB0112 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Br WXVL_AN2942SB0099 [0,1,0,0,0,0|2,0,1]=4 39 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Br WXVL_AN2942SB0099 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Cl WXVL_AN2942SB0101 [0,1,0,0,0,0|2,0,1]=4 41 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)Cl WXVL_AN2942SB0101 [0,1,0,0,0,0|2,0,1]=4 42 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)F WXVL_AN2942SB0100 [0,1,0,0,0,0|2,0,1]=4 43 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)F WXVL_AN2942SB0100 [0,1,0,0,0,0|2,0,1]=4 44 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)O WXVL_AN2942SB0104 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.49 CN(CC#N)C(=O)Cc1cccc(c1)O WXVL_AN2942SB0104 [0,1,0,0,0,0|2,0,1]=4 46 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CC#N WXVL_AN2942SB0105 [0,1,0,0,0,0|2,0,1]=4 47 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CC#N WXVL_AN2942SB0105 [0,1,0,0,0,0|2,0,1]=4 48 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB2189 [0,1,0,0,0,0|3,0,0]=4 49 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB2189 [0,1,0,0,0,0|3,0,0]=4 50 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N WXVL_AK0683SB3205 [0,1,0,0,0,0|3,0,0]=4 51 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N WXVL_AK0683SB3205 [0,1,0,0,0,0|3,0,0]=4 52 B15R1.578 CC(C(=O)N(C)CC#N)c1ccccc1 WXVL_AN2942SB2326 [0,1,0,0,0,0|2,0,1]=4 53 B15R1.578 CC(C(=O)N(C)CC#N)c1ccccc1 WXVL_AN2942SB2326 [0,1,0,0,0,0|2,0,1]=4 54 B15R1.578 CN(CC#N)C(=O)C(O)c1ccccc1 WXVL_AN2942SB0168 [0,1,0,0,0,0|2,0,1]=4 55 B15R1.578 CN(CC#N)C(=O)C(O)c1ccccc1 WXVL_AN2942SB0168 [0,1,0,0,0,0|2,0,1]=4 56 B15R1.640 C#CCC(=O)N(CC)Cc1ccccc1 WXVL_AN0041SB3070 [0,1,0,0,0,0|3,0,0]=4 57 B15R1.640 C#CCC(=O)N(CC)Cc1ccccc1 WXVL_AN0041SB3070 [0,1,0,0,0,0|3,0,0]=4 58 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Br WXVL_AN0223SB3070 [0,1,0,0,0,0|3,0,0]=4 59 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Br WXVL_AN0223SB3070 [0,1,0,0,0,0|3,0,0]=4 60 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1C WXVL_AN2190SB3070 [0,1,0,0,0,0|3,0,0]=4 61 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1C WXVL_AN2190SB3070 [0,1,0,0,0,0|3,0,0]=4 62 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Cl WXVL_AN2206SB3070 [0,1,0,0,0,0|3,0,0]=4 63 B15R1.3960 C#CCC(=O)N(C)Cc1ccccc1Cl WXVL_AN2206SB3070 [0,1,0,0,0,0|3,0,0]=4 64 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Br WXVL_AN2942SB0093 [0,1,0,0,0,0|2,0,1]=4 65 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Br WXVL_AN2942SB0093 [0,1,0,0,0,0|2,0,1]=4 66 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Cl WXVL_AN2942SB0095 [0,1,0,0,0,0|2,0,1]=4 67 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1Cl WXVL_AN2942SB0095 [0,1,0,0,0,0|2,0,1]=4 68 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1F WXVL_AN2942SB0094 [0,1,0,0,0,0|2,0,1]=4 69 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1F WXVL_AN2942SB0094 [0,1,0,0,0,0|2,0,1]=4 70 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1I WXVL_AN2942SB1145 [0,1,0,0,0,0|2,0,1]=4 71 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1I WXVL_AN2942SB1145 [0,1,0,0,0,0|2,0,1]=4 72 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1O WXVL_AN2942SB0400 [0,1,0,0,0,0|2,0,1]=4 73 B15R1.3960 CN(CC#N)C(=O)Cc1ccccc1O WXVL_AN2942SB0400 [0,1,0,0,0,0|2,0,1]=4 74 B15R1.3960 Cc1ccccc1CC(=O)N(C)CC#N WXVL_AN2942SB0098 [0,1,0,0,0,0|2,0,1]=4 75 B15R1.3960 Cc1ccccc1CC(=O)N(C)CC#N WXVL_AN2942SB0098 [0,1,0,0,0,0|2,0,1]=4 76 B15R1.10540 CN(CC#N)S(=O)(=O)Cc1ccccc1 WXVL_AN2942HU0025 [0,1,0,0,0,0|3,0,0]=4 77 B15R1.10540 CN(CC#N)S(=O)(=O)Cc1ccccc1 WXVL_AN2942HU0025 [0,1,0,0,0,0|3,0,0]=4 78 B15R2.1356 C#CCC(=O)N1Cc2ccccc2C1 WXVL_AN0094SB3070 [0,0,0,1,0,0|3,0,0]=4 79 B15R2.1356 C#CCC(=O)N1Cc2ccccc2C1 WXVL_AN0094SB3070 [0,0,0,1,0,0|3,0,0]=4 80 B13R1.47 CN(CC#N)C(=O)c1ccccc1 WXVL_AN2942SD0001 [0,0,0,0,1,0|2,0,1]=4 81 B13R1.47 CN(CC#N)C(=O)c1ccccc1 WXVL_AN2942SD0001 [0,0,0,0,1,0|2,0,1]=4 82 B15R1.826 CN(CC#N)C(=O)CCc1ccccc1 WXVL_AN2942SB0067 [0,0,0,0,0,1|2,0,1]=4 83 B15R1.826 CN(CC#N)C(=O)CCc1ccccc1 WXVL_AN2942SB0067 [0,0,0,0,0,1|2,0,1]=4 84 B15R1.826 CN(CC#N)C(=O)COc1ccccc1 WXVL_AN2942SB0086 [0,0,0,0,0,1|2,0,1]=4 85 B15R1.826 CN(CC#N)C(=O)COc1ccccc1 WXVL_AN2942SB0086 [0,0,0,0,0,1|2,0,1]=4 86 B15R1.826 CN(CC#N)C(=O)CSc1ccccc1 WXVL_AN2942SB0113 [0,0,0,0,0,1|2,0,1]=4 87 B15R1.826 CN(CC#N)C(=O)CSc1ccccc1 WXVL_AN2942SB0113 [0,0,0,0,0,1|2,0,1]=4 88 B12R1.43 CN(C)C(=O)Cc1ccccc1 WXVL_AN0032SB0092 [2,0,0,0,0,0|1,0,1]=4 89 B12R1.43 CN(C)C(=O)Cc1ccccc1 WXVL_AN0032SB0092 [2,0,0,0,0,0|1,0,1]=4 90 B14R1.158 C#CCCNC(=O)Cc1ccccc1 WXVL_AK3109SB0092 [1,1,0,0,0,0|1,0,1]=4 91 B14R1.158 C#CCCNC(=O)Cc1ccccc1 WXVL_AK3109SB0092 [1,1,0,0,0,0|1,0,1]=4 92 B14R1.743 C#C[C@@H](C)NC(=O)Cc1ccccc1 WXVL_AK00735SB0092 [1,1,0,0,0,0|1,0,1]=4 93 B14R1.743 C#C[C@@H](C)NC(=O)Cc1ccccc1 WXVL_AK00735SB0092 [1,1,0,0,0,0|1,0,1]=4 94 B16R1.936 C#CCC(=O)N[C@H](CO)Cc1ccccc1 WXVL_AK00517SB3070 [0,1,0,0,0,1|2,0,0]=4 95 B16R1.936 C#CCC(=O)N[C@H](CO)Cc1ccccc1 WXVL_AK00517SB3070 [0,1,0,0,0,1|2,0,0]=4 96 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB3205 [0,1,0,0,0,1|1,0,0]=3 97 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB3205 [0,1,0,0,0,1|1,0,0]=3 98 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CCO WXVL_AN2670SB3205 [0,1,0,0,0,1|1,0,1]=4 99 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CCO WXVL_AN2670SB3205 [0,1,0,0,0,1|1,0,1]=4 100 B16R1.945 CC(Cc1ccccn1)C(=O)N(C)CC#N WXVL_AN2942SA0686 [0,1,0,0,0,1|2,0,0]=4 101 B16R1.945 CC(Cc1ccccn1)C(=O)N(C)CC#N WXVL_AN2942SA0686 [0,1,0,0,0,1|2,0,0]=4 102 B16R1.945 CC(Oc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB0426 [0,1,0,0,0,1|2,0,0]=4 103 B16R1.945 CC(Oc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB0426 [0,1,0,0,0,1|2,0,0]=4 104 B16R1.945 CC(Sc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB9992 [0,1,0,0,0,1|2,0,0]=4 105 B16R1.945 CC(Sc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB9992 [0,1,0,0,0,1|2,0,0]=4 106 B16R1.945 C[C@@H](Oc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB5803 [0,1,0,0,0,1|2,0,0]=4 107 B16R1.945 C[C@@H](Oc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB5803 [0,1,0,0,0,1|2,0,0]=4 108 B16R1.956 C#CCC(=O)NC(C)Cc1cccc(c1)Br WXVL_AK4310SB3070 [0,1,0,0,0,1|2,0,0]=4 109 B16R1.956 C#CCC(=O)NC(C)Cc1cccc(c1)Br WXVL_AK4310SB3070 [0,1,0,0,0,1|2,0,0]=4 110 B16R1.1127 C#C[C@@H](C)NC(=O)C(C)Cc1ccccc1 WXVL_AK00735SB3205 [0,2,0,0,0,0|2,0,0]=4 111 B16R1.1127 C#C[C@@H](C)NC(=O)C(C)Cc1ccccc1 WXVL_AK00735SB3205 [0,2,0,0,0,0|2,0,0]=4 112 B16R1.1216 C#CCCNC(=O)C(C)Cc1ccccc1 WXVL_AK3109SB3205 [0,2,0,0,0,0|2,0,0]=4 113 B16R1.1216 C#CCCNC(=O)C(C)Cc1ccccc1 WXVL_AK3109SB3205 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.520 C#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB3070 [1,0,0,0,0,1|2,0,0]=4 115 B14R1.520 C#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB3070 [1,0,0,0,0,1|2,0,0]=4