0 B15R1.488 CCC(CC)C(=O)NCc1ccccc1 WXVL_AK00502SB0055 [0,0,1,0,0,0|2,0,1]=4 1 B15R1.488 CCC(CC)C(=O)NCc1ccccc1 WXVL_AK00502SB0055 [0,0,1,0,0,0|2,0,1]=4 2 B15R1.488 CCN(CC)C(=O)CCc1ccccc1 WXVL_AN0042SB0067 [0,0,1,0,0,0|2,0,1]=4 3 B15R1.488 CCN(CC)C(=O)CCc1ccccc1 WXVL_AN0042SB0067 [0,0,1,0,0,0|2,0,1]=4 4 B15R1.646 CCN(CC)C(=O)C(C)c1ccccc1 WXVL_AN0042SB2326 [0,0,1,0,0,0|2,0,1]=4 5 B15R1.646 CCN(CC)C(=O)C(C)c1ccccc1 WXVL_AN0042SB2326 [0,0,1,0,0,0|2,0,1]=4 6 B15R1.646 CCN(CC)C(=O)C(O)c1ccccc1 WXVL_AN0042SB0168 [0,0,1,0,0,0|2,0,1]=4 7 B15R1.646 CCN(CC)C(=O)C(O)c1ccccc1 WXVL_AN0042SB0168 [0,0,1,0,0,0|2,0,1]=4 8 B15R1.1257 CCCC(=O)NC(C#N)c1ccccc1 WXVL_AK00665SB0073 [0,0,1,0,0,0|2,0,1]=4 9 B15R1.1257 CCCC(=O)NC(C#N)c1ccccc1 WXVL_AK00665SB0073 [0,0,1,0,0,0|2,0,1]=4 10 B15R1.1257 CCCC(=O)N[C@@H](CC)c1ccccc1 WXVL_AK00525SB0073 [0,0,1,0,0,0|2,0,1]=4 11 B15R1.1257 CCCC(=O)N[C@@H](CC)c1ccccc1 WXVL_AK00525SB0073 [0,0,1,0,0,0|2,0,1]=4 12 B15R1.1257 CCCC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0073 [0,0,1,0,0,0|1,0,2]=4 13 B15R1.1257 CCCC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0073 [0,0,1,0,0,0|1,0,2]=4 14 B15R1.1257 CCCC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0073 [0,0,1,0,0,0|1,0,2]=4 15 B15R1.1257 CCCC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0073 [0,0,1,0,0,0|1,0,2]=4 16 B14R1.756 C/C=C(\C)/C(=O)NCc1ccccc1 WXVL_AK00502SB0343 [1,0,1,0,0,0|2,0,0]=4 17 B14R1.756 C/C=C(\C)/C(=O)NCc1ccccc1 WXVL_AK00502SB0343 [1,0,1,0,0,0|2,0,0]=4 18 B14R1.756 CCC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0344 [1,0,1,0,0,0|1,0,0]=3 19 B14R1.756 CCC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0344 [1,0,1,0,0,0|1,0,0]=3 20 B14R1.756 CCC(=O)C(=O)NCc1ccccn1 WXVL_AK0018SB0344 [1,0,1,0,0,0|2,0,0]=4 21 B14R1.756 CCC(=O)C(=O)NCc1ccccn1 WXVL_AK0018SB0344 [1,0,1,0,0,0|2,0,0]=4 22 B14R1.756 CCC(=O)C(=O)NCc1cccnc1 WXVL_AK0020SB0344 [1,0,1,0,0,0|2,0,0]=4 23 B14R1.756 CCC(=O)C(=O)NCc1cccnc1 WXVL_AK0020SB0344 [1,0,1,0,0,0|2,0,0]=4 24 B14R1.756 CCC(=O)C(=O)NCc1ccncc1 WXVL_AK0021SB0344 [1,0,1,0,0,0|2,0,0]=4 25 B14R1.756 CCC(=O)C(=O)NCc1ccncc1 WXVL_AK0021SB0344 [1,0,1,0,0,0|2,0,0]=4 26 B14R1.756 CCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0054 [1,0,1,0,0,0|1,0,1]=4 27 B14R1.756 CCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0054 [1,0,1,0,0,0|1,0,1]=4 28 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 WXVL_AK00502SB00054 [1,0,1,0,0,0|1,0,1]=4 29 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 WXVL_AK00502SB00054 [1,0,1,0,0,0|1,0,1]=4 30 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3573 [1,0,1,0,0,0|1,0,1]=4 31 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3573 [1,0,1,0,0,0|1,0,1]=4 32 B14R1.532 CCN(CC)C(=O)Cc1ccccc1 WXVL_AN0042SB0092 [1,0,1,0,0,0|1,0,1]=4 33 B14R1.532 CCN(CC)C(=O)Cc1ccccc1 WXVL_AN0042SB0092 [1,0,1,0,0,0|1,0,1]=4 34 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [1,0,1,0,0,0|1,0,1]=4 35 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [1,0,1,0,0,0|1,0,1]=4 36 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [1,0,1,0,0,0|1,0,1]=4 37 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [1,0,1,0,0,0|1,0,1]=4 38 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [1,0,1,0,0,0|0,0,1]=3 39 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [1,0,1,0,0,0|0,0,1]=3 40 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00476YV0029 [1,0,1,0,0,0|0,0,1]=3 41 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00476YV0029 [1,0,1,0,0,0|0,0,1]=3 42 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00476YV0061 [1,0,1,0,0,0|0,0,1]=3 43 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00476YV0061 [1,0,1,0,0,0|0,0,1]=3 44 B14R1.3297 CCC(=O)NC(C#N)c1ccccc1 WXVL_AK00665SB0064 [1,0,1,0,0,0|1,0,1]=4 45 B14R1.3297 CCC(=O)NC(C#N)c1ccccc1 WXVL_AK00665SB0064 [1,0,1,0,0,0|1,0,1]=4 46 B14R1.3297 CCC(=O)N[C@@H](CC)c1ccccc1 WXVL_AK00525SB0064 [1,0,1,0,0,0|1,0,1]=4 47 B14R1.3297 CCC(=O)N[C@@H](CC)c1ccccc1 WXVL_AK00525SB0064 [1,0,1,0,0,0|1,0,1]=4 48 B14R1.3297 CCC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0064 [1,0,1,0,0,0|0,0,2]=4 49 B14R1.3297 CCC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0064 [1,0,1,0,0,0|0,0,2]=4 50 B14R1.3297 CCC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0064 [1,0,1,0,0,0|0,0,2]=4 51 B14R1.3297 CCC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0064 [1,0,1,0,0,0|0,0,2]=4 52 B14R1.604 CCNC(=O)C(CC)c1ccccc1 WXVL_AK00476SB0053 [1,0,1,0,0,0|1,0,1]=4 53 B14R1.604 CCNC(=O)C(CC)c1ccccc1 WXVL_AK00476SB0053 [1,0,1,0,0,0|1,0,1]=4 54 B14R1.604 CCNC(=O)C(CO)c1ccccc1 WXVL_AK00476SB3228 [1,0,1,0,0,0|0,0,2]=4 55 B14R1.604 CCNC(=O)C(CO)c1ccccc1 WXVL_AK00476SB3228 [1,0,1,0,0,0|0,0,2]=4 56 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00476SB0081 [1,0,1,0,0,0|1,0,1]=4 57 B14R1.604 CCNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00476SB0081 [1,0,1,0,0,0|1,0,1]=4 58 B16R1.544 CCN(CC)C(=O)N[C@@H](C)c1ccccc1 WXVL_AN0042YV0029 [0,1,1,0,0,0|1,0,1]=4 59 B16R1.544 CCN(CC)C(=O)N[C@@H](C)c1ccccc1 WXVL_AN0042YV0029 [0,1,1,0,0,0|1,0,1]=4 60 B16R1.544 CCN(CC)C(=O)N[C@H](C)c1ccccc1 WXVL_AN0042YV0061 [0,1,1,0,0,0|1,0,1]=4 61 B16R1.544 CCN(CC)C(=O)N[C@H](C)c1ccccc1 WXVL_AN0042YV0061 [0,1,1,0,0,0|1,0,1]=4 62 B16R1.594 CCN(CC)C(=O)NCc1ccc(cc1)C WXVL_AN0042YV0067 [0,1,1,0,0,0|1,0,1]=4 63 B16R1.594 CCN(CC)C(=O)NCc1ccc(cc1)C WXVL_AN0042YV0067 [0,1,1,0,0,0|1,0,1]=4 64 B16R1.595 CCN(CC)C(=O)NCc1cccc(c1)C WXVL_AN0042YV0178 [0,1,1,0,0,0|1,0,1]=4 65 B16R1.595 CCN(CC)C(=O)NCc1cccc(c1)C WXVL_AN0042YV0178 [0,1,1,0,0,0|1,0,1]=4 66 B16R1.595 CCN(CC)C(=O)NCc1cccc(c1)F WXVL_AN0042YV0073 [0,1,1,0,0,0|1,0,1]=4 67 B16R1.595 CCN(CC)C(=O)NCc1cccc(c1)F WXVL_AN0042YV0073 [0,1,1,0,0,0|1,0,1]=4 68 B16R1.4478 CC[C@H](NC(=O)NCCCl)c1ccccc1 WXVL_AK00525YV0092 [0,1,1,0,0,0|1,0,1]=4 69 B16R1.4478 CC[C@H](NC(=O)NCCCl)c1ccccc1 WXVL_AK00525YV0092 [0,1,1,0,0,0|1,0,1]=4 70 B16R1.4478 N#CC(NC(=O)NCCCl)c1ccccc1 WXVL_AK00665YV0092 [0,1,1,0,0,0|1,0,1]=4 71 B16R1.4478 N#CC(NC(=O)NCCCl)c1ccccc1 WXVL_AK00665YV0092 [0,1,1,0,0,0|1,0,1]=4 72 B16R1.4478 O=C(NCCCl)N[C@@H](CO)c1ccccc1 WXVL_AK00486YV0092 [0,1,1,0,0,0|0,0,2]=4 73 B16R1.4478 O=C(NCCCl)N[C@@H](CO)c1ccccc1 WXVL_AK00486YV0092 [0,1,1,0,0,0|0,0,2]=4 74 B16R1.4478 O=C(NCCCl)N[C@H](CO)c1ccccc1 WXVL_AK0108YV0092 [0,1,1,0,0,0|0,0,2]=4 75 B16R1.4478 O=C(NCCCl)N[C@H](CO)c1ccccc1 WXVL_AK0108YV0092 [0,1,1,0,0,0|0,0,2]=4 76 B16R1.15562 C/C=C/C(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB0340 [0,1,1,0,0,0|1,0,1]=4 77 B16R1.15562 C/C=C/C(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB0340 [0,1,1,0,0,0|1,0,1]=4 78 B16R1.15562 CC#CC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB1240 [0,1,1,0,0,0|1,0,1]=4 79 B16R1.15562 CC#CC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB1240 [0,1,1,0,0,0|1,0,1]=4 80 B16R1.15562 CCCC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB0073 [0,1,1,0,0,0|1,0,0]=3 81 B16R1.15562 CCCC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB0073 [0,1,1,0,0,0|1,0,0]=3 82 B16R1.15562 COCC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB0090 [0,1,1,0,0,0|2,0,0]=4 83 B16R1.15562 COCC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB0090 [0,1,1,0,0,0|2,0,0]=4 84 B16R1.15562 CSCC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB1267 [0,1,1,0,0,0|2,0,0]=4 85 B16R1.15562 CSCC(=O)N[C@H](C(=O)N)c1ccccc1 WXVL_AK1505SB1267 [0,1,1,0,0,0|2,0,0]=4 86 B16R1.14044 CCNC(=O)C(NC(=O)C)c1ccccc1 WXVL_AK00476SB4308 [0,1,1,0,0,0|0,0,0]=2 87 B16R1.14044 CCNC(=O)C(NC(=O)C)c1ccccc1 WXVL_AK00476SB4308 [0,1,1,0,0,0|0,0,0]=2 88 B16R1.14044 CCNC(=O)[C@@H](OC(=O)C)c1ccccc1 WXVL_AK00476SB0520 [0,1,1,0,0,0|1,0,0]=3 89 B16R1.14044 CCNC(=O)[C@@H](OC(=O)C)c1ccccc1 WXVL_AK00476SB0520 [0,1,1,0,0,0|1,0,0]=3 90 B16R1.14044 CCOC(=O)C(NC(=O)C)c1ccccn1 WXVL_AK3995SB0150 [0,1,1,0,0,0|2,0,0]=4 91 B16R1.14044 CCOC(=O)C(NC(=O)C)c1ccccn1 WXVL_AK3995SB0150 [0,1,1,0,0,0|2,0,0]=4 92 B16R2.27608 NC(=O)C1(CC1)C(=O)Nc2ccccc2 WXVL_AK0084SBF142 [0,0,1,1,0,0|2,0,0]=4 93 B16R2.27608 NC(=O)C1(CC1)C(=O)Nc2ccccc2 WXVL_AK0084SBF142 [0,0,1,1,0,0|2,0,0]=4