0 B23R2.478460 C=C(Cc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB0413 [0,0,1,0,0,0|1,0,1]=3 1 B23R2.478460 C=C(Cc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB0413 [0,0,1,0,0,0|1,0,1]=3 2 B23R2.478460 CC(Cc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB3205 [0,0,1,0,0,0|1,0,0]=2 3 B23R2.478460 CC(Cc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB3205 [0,0,1,0,0,0|1,0,0]=2 4 B23R2.478460 CC(Cc1ccccn1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA0686 [0,0,1,0,0,0|2,0,0]=3 5 B23R2.478460 CC(Cc1ccccn1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA0686 [0,0,1,0,0,0|2,0,0]=3 6 B23R2.478460 CC(Oc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB0426 [0,0,1,0,0,0|2,0,0]=3 7 B23R2.478460 CC(Oc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB0426 [0,0,1,0,0,0|2,0,0]=3 8 B23R2.478460 CC(Oc1ccccn1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA1980 [0,0,1,0,0,0|3,0,0]=4 9 B23R2.478460 CC(Oc1ccccn1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA1980 [0,0,1,0,0,0|3,0,0]=4 10 B23R2.478460 CC(Sc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB9992 [0,0,1,0,0,0|2,0,0]=3 11 B23R2.478460 CC(Sc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB9992 [0,0,1,0,0,0|2,0,0]=3 12 B23R2.478460 CC(Sc1ccccn1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA1317 [0,0,1,0,0,0|3,0,0]=4 13 B23R2.478460 CC(Sc1ccccn1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA1317 [0,0,1,0,0,0|3,0,0]=4 14 B23R2.478460 C[C@@H](Oc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB5803 [0,0,1,0,0,0|2,0,0]=3 15 B23R2.478460 C[C@@H](Oc1ccccc1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB5803 [0,0,1,0,0,0|2,0,0]=3 16 B22R2.15465 C=C(Cc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB0413 [1,0,1,0,0,0|1,0,1]=4 17 B22R2.15465 C=C(Cc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB0413 [1,0,1,0,0,0|1,0,1]=4 18 B22R2.15465 CC(Cc1ccccc1)C(=O)NCC(C)c2ccccc2 WXVL_AK00546SB3205 [1,0,1,0,0,0|2,0,0]=4 19 B22R2.15465 CC(Cc1ccccc1)C(=O)NCC(C)c2ccccc2 WXVL_AK00546SB3205 [1,0,1,0,0,0|2,0,0]=4 20 B22R2.15465 CC(Cc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB3205 [1,0,1,0,0,0|1,0,0]=3 21 B22R2.15465 CC(Cc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB3205 [1,0,1,0,0,0|1,0,0]=3 22 B22R2.15465 CC(Cc1ccccc1)C(=O)NC[C@@H](C)c2ccccc2 WXVL_AK00506SB3205 [1,0,1,0,0,0|2,0,0]=4 23 B22R2.15465 CC(Cc1ccccc1)C(=O)NC[C@@H](C)c2ccccc2 WXVL_AK00506SB3205 [1,0,1,0,0,0|2,0,0]=4 24 B22R2.15465 CC(Cc1ccccn1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SA0686 [1,0,1,0,0,0|2,0,0]=4 25 B22R2.15465 CC(Cc1ccccn1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SA0686 [1,0,1,0,0,0|2,0,0]=4 26 B22R2.15465 CC(Oc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB0426 [1,0,1,0,0,0|2,0,0]=4 27 B22R2.15465 CC(Oc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB0426 [1,0,1,0,0,0|2,0,0]=4 28 B22R2.15465 CC(Sc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB9992 [1,0,1,0,0,0|2,0,0]=4 29 B22R2.15465 CC(Sc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB9992 [1,0,1,0,0,0|2,0,0]=4 30 B22R2.15465 C[C@@H](Oc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB5803 [1,0,1,0,0,0|2,0,0]=4 31 B22R2.15465 C[C@@H](Oc1ccccc1)C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB5803 [1,0,1,0,0,0|2,0,0]=4 32 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)/C=C/c2ccccc2 WXVL_AN3044SB0115 [1,0,1,0,0,0|0,0,2]=4 33 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)/C=C/c2ccccc2 WXVL_AN3044SB0115 [1,0,1,0,0,0|0,0,2]=4 34 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)C#Cc2ccccc2 WXVL_AN3044SB0114 [1,0,1,0,0,0|0,0,2]=4 35 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)C#Cc2ccccc2 WXVL_AN3044SB0114 [1,0,1,0,0,0|0,0,2]=4 36 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2ccccc2 WXVL_AN3044SB0067 [1,0,1,0,0,0|0,0,0]=2 37 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2ccccc2 WXVL_AN3044SB0067 [1,0,1,0,0,0|0,0,0]=2 38 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2ccccn2 WXVL_AN3044SA0316 [1,0,1,0,0,0|1,0,0]=3 39 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2ccccn2 WXVL_AN3044SA0316 [1,0,1,0,0,0|1,0,0]=3 40 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2cccnc2 WXVL_AN3044SA0031 [1,0,1,0,0,0|1,0,0]=3 41 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2cccnc2 WXVL_AN3044SA0031 [1,0,1,0,0,0|1,0,0]=3 42 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2cnccn2 WXVL_AN3044SA2354 [1,0,1,0,0,0|2,0,0]=4 43 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2cnccn2 WXVL_AN3044SA2354 [1,0,1,0,0,0|2,0,0]=4 44 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2cncnc2 WXVL_AN3044SA0013 [1,0,1,0,0,0|2,0,0]=4 45 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CCc2cncnc2 WXVL_AN3044SA0013 [1,0,1,0,0,0|2,0,0]=4 46 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)COc2ccccc2 WXVL_AN3044SB0086 [1,0,1,0,0,0|1,0,0]=3 47 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)COc2ccccc2 WXVL_AN3044SB0086 [1,0,1,0,0,0|1,0,0]=3 48 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)COc2cccnc2 WXVL_AN3044SA0051 [1,0,1,0,0,0|2,0,0]=4 49 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)COc2cccnc2 WXVL_AN3044SA0051 [1,0,1,0,0,0|2,0,0]=4 50 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CSc2ccccc2 WXVL_AN3044SB0113 [1,0,1,0,0,0|1,0,0]=3 51 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CSc2ccccc2 WXVL_AN3044SB0113 [1,0,1,0,0,0|1,0,0]=3 52 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CSc2ccncc2 WXVL_AN3044SA0055 [1,0,1,0,0,0|2,0,0]=4 53 B22R2.34108 CN(CC(O)c1ccccc1)C(=O)CSc2ccncc2 WXVL_AN3044SA0055 [1,0,1,0,0,0|2,0,0]=4 54 B24R2.184853 CC(Cc1ccc(cc1)F)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB0221 [0,1,1,0,0,0|1,0,0]=3 55 B24R2.184853 CC(Cc1ccc(cc1)F)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB0221 [0,1,1,0,0,0|1,0,0]=3 56 B24R2.184853 CC(Oc1ccc(cc1)Cl)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB1523 [0,1,1,0,0,0|2,0,0]=4 57 B24R2.184853 CC(Oc1ccc(cc1)Cl)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB1523 [0,1,1,0,0,0|2,0,0]=4 58 B24R2.184853 CN(CC(O)c1ccccc1)C(=O)C(=O)Cc2ccc(cc2)O WXVL_AN3044SB2710 [0,1,1,0,0,0|0,0,2]=4 59 B24R2.184853 CN(CC(O)c1ccccc1)C(=O)C(=O)Cc2ccc(cc2)O WXVL_AN3044SB2710 [0,1,1,0,0,0|0,0,2]=4 60 B24R2.184853 CN(CC(O)c1ccccc1)C(=O)C(O)Cc2ccc(cc2)O WXVL_AN3044SB4752 [0,1,1,0,0,0|0,0,0]=2 61 B24R2.184853 CN(CC(O)c1ccccc1)C(=O)C(O)Cc2ccc(cc2)O WXVL_AN3044SB4752 [0,1,1,0,0,0|0,0,0]=2 62 B24R2.200067 CC(Cc1cccc(c1)Br)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB6322 [0,1,1,0,0,0|1,0,0]=3 63 B24R2.200067 CC(Cc1cccc(c1)Br)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB6322 [0,1,1,0,0,0|1,0,0]=3 64 B24R2.341842 CC(Oc1ccccc1Cl)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB1509 [0,1,1,0,0,0|2,0,0]=4 65 B24R2.341842 CC(Oc1ccccc1Cl)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SB1509 [0,1,1,0,0,0|2,0,0]=4 66 B24R2.28453344 CN(CC(O)c1ccccc1)C(=O)C(C)(C)Cc2ccccc2 WXVL_AN3044SB3630 [0,1,1,0,0,0|1,0,0]=3 67 B24R2.28453344 CN(CC(O)c1ccccc1)C(=O)C(C)(C)Cc2ccccc2 WXVL_AN3044SB3630 [0,1,1,0,0,0|1,0,0]=3 68 B24R3.67256 CC(Cc1ccccc1)C(=O)N2CCC(C2)c3ccccc3 WXVL_AN00346SB3205 [0,0,1,1,0,0|2,0,0]=4 69 B24R3.67256 CC(Cc1ccccc1)C(=O)N2CCC(C2)c3ccccc3 WXVL_AN00346SB3205 [0,0,1,1,0,0|2,0,0]=4 70 B24R3.5652547 CN(CC(O)c1ccccc1)C(=O)C2Cc3ccccc3O2 WXVL_AN3044SB0867 [0,0,1,1,0,0|0,0,0]=2 71 B24R3.5652547 CN(CC(O)c1ccccc1)C(=O)C2Cc3ccccc3O2 WXVL_AN3044SB0867 [0,0,1,1,0,0|0,0,0]=2 72 B24R3.5652547 CN(CC(O)c1ccccc1)C(=O)c2cc3ccccc3o2 WXVL_AN3044SE0105 [0,0,1,1,0,0|0,0,2]=4 73 B24R3.5652547 CN(CC(O)c1ccccc1)C(=O)c2cc3ccccc3o2 WXVL_AN3044SE0105 [0,0,1,1,0,0|0,0,2]=4 74 B24R3.5652547 CN(CC(O)c1ccccc1)C(=O)c2nc3ccccc3o2 WXVL_AN3044SE0704 [0,0,1,1,0,0|1,0,1]=4 75 B24R3.5652547 CN(CC(O)c1ccccc1)C(=O)c2nc3ccccc3o2 WXVL_AN3044SE0704 [0,0,1,1,0,0|1,0,1]=4 76 B24R3.66431953 CN(CC(O)c1ccccc1)C(=O)C2CC2c3ccccc3 WXVL_AN3044SB2474 [0,0,1,1,0,0|1,0,0]=3 77 B24R3.66431953 CN(CC(O)c1ccccc1)C(=O)C2CC2c3ccccc3 WXVL_AN3044SB2474 [0,0,1,1,0,0|1,0,0]=3 78 B24R3.66431953 CN(CC(O)c1ccccc1)C(=O)[C@@H]2C[C@H]2c3ccccc3 WXVL_AN3044SB3176 [0,0,1,1,0,0|1,0,0]=3 79 B24R3.66431953 CN(CC(O)c1ccccc1)C(=O)[C@@H]2C[C@H]2c3ccccc3 WXVL_AN3044SB3176 [0,0,1,1,0,0|1,0,0]=3 80 B22R2.15478 CC(C(=O)N(C)CC(O)c1ccccc1)c2ccccc2 WXVL_AN3044SB2326 [0,0,1,0,1,0|1,0,0]=3 81 B22R2.15478 CC(C(=O)N(C)CC(O)c1ccccc1)c2ccccc2 WXVL_AN3044SB2326 [0,0,1,0,1,0|1,0,0]=3 82 B22R2.15478 CN(CC(O)c1ccccc1)C(=O)C(=O)c2ccccc2 WXVL_AN3044SB0050 [0,0,1,0,1,0|0,0,2]=4 83 B22R2.15478 CN(CC(O)c1ccccc1)C(=O)C(=O)c2ccccc2 WXVL_AN3044SB0050 [0,0,1,0,1,0|0,0,2]=4 84 B22R2.15478 CN(CC(O)c1ccccc1)C(=O)C(O)c2ccccc2 WXVL_AN3044SB0168 [0,0,1,0,1,0|0,0,0]=2 85 B22R2.15478 CN(CC(O)c1ccccc1)C(=O)C(O)c2ccccc2 WXVL_AN3044SB0168 [0,0,1,0,1,0|0,0,0]=2 86 B22R2.360893 CC(Cc1ccco1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA2637 [0,0,1,0,1,0|2,0,0]=4 87 B22R2.360893 CC(Cc1ccco1)C(=O)N(C)CC(O)c2ccccc2 WXVL_AN3044SA2637 [0,0,1,0,1,0|2,0,0]=4 88 B24R2.606205 CC(CC(=O)N(C)CC(O)c1ccccc1)Oc2ccccc2 WXVL_AN3044SA00047 [0,0,1,0,0,1|2,0,0]=4 89 B24R2.606205 CC(CC(=O)N(C)CC(O)c1ccccc1)Oc2ccccc2 WXVL_AN3044SA00047 [0,0,1,0,0,1|2,0,0]=4