0 B21R2.252202 NC(=O)C1CCCCN1C(=O)CCCc2ccccc2 WXVL_AN2497SB0121 [0,0,0,0,0,0|3,0,0]=3 1 B21R2.252202 NC(=O)C1CCCCN1C(=O)CCOc2ccccc2 WXVL_AN2497SB0066 [0,0,0,0,0,0|4,0,0]=4 2 B21R2.252202 NC(=O)C1CCCCN1C(=O)COCc2ccccc2 WXVL_AN2497SB0185 [0,0,0,0,0,0|4,0,0]=4 3 B20R2.18233 O=C(CCCc1ccccc1)N2CCCCC2CO WXVL_AN0018SB0121 [1,0,0,0,0,0|2,0,1]=4 4 B20R2.18233 O=C(CCCc1ccccc1)N2CCCCC2CO WXVL_AN0018SB0121 [1,0,0,0,0,0|2,0,1]=4 5 B22R2.144288 NC(=O)C1CCCCN1C(=O)CCCc2ccccc2F WXVL_AN2497SB3843 [0,1,0,0,0,0|3,0,0]=4 6 B22R2.519238 NC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)Br WXVL_AN2497SB4477 [0,1,0,0,0,0|3,0,0]=4 7 B22R2.519238 NC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)F WXVL_AN2497SB1490 [0,1,0,0,0,0|3,0,0]=4 8 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2 WXVL_AK00498SB2499 [0,1,0,0,0,0|0,0,2]=3 9 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2 WXVL_AK00498SB2499 [0,1,0,0,0,0|0,0,2]=3 10 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2ccccn2 WXVL_AK0019SB2499 [0,1,0,0,0,0|1,0,2]=4 11 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2ccccn2 WXVL_AK0019SB2499 [0,1,0,0,0,0|1,0,2]=4 12 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2cccnc2 WXVL_AK00436SB2499 [0,1,0,0,0,0|1,0,2]=4 13 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2cccnc2 WXVL_AK00436SB2499 [0,1,0,0,0,0|1,0,2]=4 14 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2ccncc2 WXVL_AK0093SB2499 [0,1,0,0,0,0|1,0,2]=4 15 B22R2.534193 COC(=O)C1CC=CCC1C(=O)NCCc2ccncc2 WXVL_AK0093SB2499 [0,1,0,0,0,0|1,0,2]=4 16 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCCc2ccccc2 WXVL_AN0557SB0121 [0,1,0,0,0,0|2,0,0]=3 17 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCOc2ccccc2 WXVL_AN0557SB0066 [0,1,0,0,0,0|3,0,0]=4 18 B22R2.534193 COC(=O)C1CCCCN1C(=O)COCc2ccccc2 WXVL_AN0557SB0185 [0,1,0,0,0,0|3,0,0]=4 19 B22R2.534193 COC(=O)[C@@H]1COCCN1C(=O)CCCc2ccccc2 WXVL_AN3224SB0121 [0,1,0,0,0,0|3,0,0]=4 20 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2 WXVL_AK00498SB0489 [0,1,0,0,0,0|0,0,0]=1 21 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2 WXVL_AK00498SB0489 [0,1,0,0,0,0|0,0,0]=1 22 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccn2 WXVL_AK0019SB0489 [0,1,0,0,0,0|1,0,0]=2 23 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccn2 WXVL_AK0019SB0489 [0,1,0,0,0,0|1,0,0]=2 24 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccnc2 WXVL_AK00436SB0489 [0,1,0,0,0,0|1,0,0]=2 25 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccnc2 WXVL_AK00436SB0489 [0,1,0,0,0,0|1,0,0]=2 26 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccncc2 WXVL_AK0093SB0489 [0,1,0,0,0,0|1,0,0]=2 27 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccncc2 WXVL_AK0093SB0489 [0,1,0,0,0,0|1,0,0]=2 28 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccncn2 WXVL_AK6509SB0489 [0,1,0,0,0,0|2,0,0]=3 29 B22R2.534193 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccncn2 WXVL_AK6509SB0489 [0,1,0,0,0,0|2,0,0]=3 30 B20R1.11247 CSCC[C@@H](NC(=O)C)C(=O)NCCc1ccccc1 WXVL_AK00498SB7256 [0,0,1,0,0,0|3,0,0]=4 31 B20R1.11247 CSCC[C@@H](NC(=O)C)C(=O)NCCc1ccccc1 WXVL_AK00498SB7256 [0,0,1,0,0,0|3,0,0]=4 32 B22R3.35950 NC(=O)C1CCCCN1C(=O)C2CCc3c2cccc3 WXVL_AN2497SB3073 [0,0,0,1,0,0|3,0,0]=4 33 B22R3.783709 NC(=O)C1CCCCN1C(=O)C2CC2c3ccccc3 WXVL_AN2497SB2474 [0,0,0,1,0,0|3,0,0]=4 34 B22R3.783709 NC(=O)C1CCCCN1C(=O)[C@@H]2C[C@H]2c3ccccc3 WXVL_AN2497SB3176 [0,0,0,1,0,0|3,0,0]=4 35 B20R2.10746 NC(=O)C1CCCCN1C(=O)CCc2ccccc2 WXVL_AN2497SB0067 [0,0,0,0,1,0|2,0,0]=3 36 B20R2.10746 NC(=O)C1CCCCN1C(=O)CCc2ccccn2 WXVL_AN2497SA0316 [0,0,0,0,1,0|3,0,0]=4 37 B20R2.10746 NC(=O)C1CCCCN1C(=O)CCc2cccnc2 WXVL_AN2497SA0031 [0,0,0,0,1,0|3,0,0]=4 38 B20R2.10746 NC(=O)C1CCCCN1C(=O)COc2ccccc2 WXVL_AN2497SB0086 [0,0,0,0,1,0|3,0,0]=4 39 B20R2.10746 NC(=O)C1CCCCN1C(=O)CSc2ccccc2 WXVL_AN2497SB0113 [0,0,0,0,1,0|3,0,0]=4 40 B20R2.10746 NC(=O)[C@@H]1CCCCN1C(=O)OCc2ccccc2 WXVL_AK0084SB0320 [0,0,0,0,1,0|3,0,0]=4 41 B20R2.10746 NC(=O)[C@@H]1CCCCN1C(=O)OCc2ccccc2 WXVL_AK0084SB0320 [0,0,0,0,1,0|3,0,0]=4 42 B20R2.170942 CC(=O)N1CSCC1C(=O)NCCc2ccccc2 WXVL_AK00498SB4002 [0,0,0,0,1,0|3,0,0]=4 43 B20R2.170942 CC(=O)N1CSCC1C(=O)NCCc2ccccc2 WXVL_AK00498SB4002 [0,0,0,0,1,0|3,0,0]=4 44 B20R2.170942 NC(=O)C1CCCN1C(=O)CCCc2ccccc2 WXVL_AN00628SB0121 [0,0,0,0,1,0|3,0,0]=4 45 B20R2.170942 NC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2 WXVL_AN0009SB0121 [0,0,0,0,1,0|3,0,0]=4 46 B20R2.170942 NC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2 WXVL_AN0009SB0121 [0,0,0,0,1,0|3,0,0]=4 47 B22R2.357836 NC(=O)C1CCCCN1C(=O)CCCCc2ccccc2 WXVL_AN2497SB0460 [0,0,0,0,0,1|3,0,0]=4 48 B19R1.31338 CCC[C@@H](NC(=O)C)C(=O)NCCc1ccccc1 WXVL_AK00498SB2244 [1,0,1,0,0,0|2,0,0]=4 49 B19R1.31338 CCC[C@@H](NC(=O)C)C(=O)NCCc1ccccc1 WXVL_AK00498SB2244 [1,0,1,0,0,0|2,0,0]=4 50 B19R1.27305 CCCCCCCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0409 [1,0,1,0,0,0|1,0,1]=4 51 B19R1.27305 CCCCCCCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0409 [1,0,1,0,0,0|1,0,1]=4 52 B19R1.27305 O=C(CCCCCCCBr)NCCc1ccccc1 WXVL_AK00498SB0559 [1,0,1,0,0,0|1,0,1]=4 53 B19R1.27305 O=C(CCCCCCCBr)NCCc1ccccc1 WXVL_AK00498SB0559 [1,0,1,0,0,0|1,0,1]=4 54 B19R1.27305 O=C(CCCCCCCO)NCCc1ccccc1 WXVL_AK00498SB1306 [1,0,1,0,0,0|0,0,1]=3 55 B19R1.27305 O=C(CCCCCCCO)NCCc1ccccc1 WXVL_AK00498SB1306 [1,0,1,0,0,0|0,0,1]=3 56 B19R1.27305 O=C(CCCCCCCO)NCCc1ccccn1 WXVL_AK0019SB1306 [1,0,1,0,0,0|1,0,1]=4 57 B19R1.27305 O=C(CCCCCCCO)NCCc1ccccn1 WXVL_AK0019SB1306 [1,0,1,0,0,0|1,0,1]=4 58 B19R1.27305 O=C(CCCCCCCO)NCCc1cccnc1 WXVL_AK00436SB1306 [1,0,1,0,0,0|1,0,1]=4 59 B19R1.27305 O=C(CCCCCCCO)NCCc1cccnc1 WXVL_AK00436SB1306 [1,0,1,0,0,0|1,0,1]=4 60 B19R1.27305 O=C(CCCCCCCO)NCCc1ccncc1 WXVL_AK0093SB1306 [1,0,1,0,0,0|1,0,1]=4 61 B19R1.27305 O=C(CCCCCCCO)NCCc1ccncc1 WXVL_AK0093SB1306 [1,0,1,0,0,0|1,0,1]=4 62 B19R2.5666 CN1CCCC[C@@H]1C(=O)NCCc2ccccc2 WXVL_AK00498SB4055 [2,0,0,0,0,0|1,0,1]=4 63 B19R2.5666 CN1CCCC[C@@H]1C(=O)NCCc2ccccc2 WXVL_AK00498SB4055 [2,0,0,0,0,0|1,0,1]=4 64 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccccc1 WXVL_AK00498SB3124 [0,1,1,0,0,0|0,0,0]=2 65 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccccc1 WXVL_AK00498SB3124 [0,1,1,0,0,0|0,0,0]=2 66 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccccn1 WXVL_AK0019SB3124 [0,1,1,0,0,0|1,0,0]=3 67 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccccn1 WXVL_AK0019SB3124 [0,1,1,0,0,0|1,0,0]=3 68 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1cccnc1 WXVL_AK00436SB3124 [0,1,1,0,0,0|1,0,0]=3 69 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1cccnc1 WXVL_AK00436SB3124 [0,1,1,0,0,0|1,0,0]=3 70 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccncc1 WXVL_AK0093SB3124 [0,1,1,0,0,0|1,0,0]=3 71 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccncc1 WXVL_AK0093SB3124 [0,1,1,0,0,0|1,0,0]=3 72 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccncn1 WXVL_AK6509SB3124 [0,1,1,0,0,0|2,0,0]=4 73 B21R1.72330 COC(=O)CCCCCCC(=O)NCCc1ccncn1 WXVL_AK6509SB3124 [0,1,1,0,0,0|2,0,0]=4 74 B21R1.72330 COC(=O)CCCCCNC(=O)CCCc1ccccc1 WXVL_AK00438SB0121 [0,1,1,0,0,0|2,0,0]=4 75 B21R1.72330 COC(=O)CCCCCNC(=O)CCCc1ccccc1 WXVL_AK00438SB0121 [0,1,1,0,0,0|2,0,0]=4 76 B21R2.13048 CC(Cc1ccccc1)C(=O)N2CCCCC2C(=O)N WXVL_AN2497SB3205 [0,1,0,0,1,0|2,0,0]=4 77 B21R2.19470 Cc1ccc(cc1)CCC(=O)N2CCCCC2C(=O)N WXVL_AN2497SB0421 [0,1,0,0,1,0|2,0,0]=4 78 B21R2.19470 Cc1ccc(cc1)CNC(=O)N2CCCCC2C(=O)N WXVL_AN2497YV0067 [0,1,0,0,1,0|2,0,0]=4 79 B21R2.19470 NC(=O)C1CCCCN1C(=O)CCc2ccc(cc2)Br WXVL_AN2497SB1166 [0,1,0,0,1,0|2,0,0]=4 80 B21R2.19470 NC(=O)C1CCCCN1C(=O)CCc2ccc(cc2)F WXVL_AN2497SB1123 [0,1,0,0,1,0|2,0,0]=4 81 B21R2.19470 NC(=O)C1CCCCN1C(=O)CCc2ccc(cc2)O WXVL_AN2497SB2324 [0,1,0,0,1,0|2,0,0]=4 82 B21R2.21089 COC(=O)C1CC=CCC1C(=O)NCc2ccccc2 WXVL_AK00502SB2499 [0,1,0,0,1,0|0,0,2]=4 83 B21R2.21089 COC(=O)C1CC=CCC1C(=O)NCc2ccccc2 WXVL_AK00502SB2499 [0,1,0,0,1,0|0,0,2]=4 84 B21R2.21089 COC(=O)C1CCCCN1C(=O)CCc2ccccc2 WXVL_AN0557SB0067 [0,1,0,0,1,0|1,0,0]=3 85 B21R2.21089 COC(=O)C1CCCCN1C(=O)CCc2ccccn2 WXVL_AN0557SA0316 [0,1,0,0,1,0|2,0,0]=4 86 B21R2.21089 COC(=O)C1CCCCN1C(=O)CCc2cccnc2 WXVL_AN0557SA0031 [0,1,0,0,1,0|2,0,0]=4 87 B21R2.21089 COC(=O)C1CCCCN1C(=O)COc2ccccc2 WXVL_AN0557SB0086 [0,1,0,0,1,0|2,0,0]=4 88 B21R2.21089 COC(=O)C1CCCCN1C(=O)CSc2ccccc2 WXVL_AN0557SB0113 [0,1,0,0,1,0|2,0,0]=4 89 B21R2.21089 COC(=O)[C@@H]1COCCN1C(=O)CCc2ccccc2 WXVL_AN3224SB0067 [0,1,0,0,1,0|2,0,0]=4 90 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccccc2 WXVL_AK00502SB0489 [0,1,0,0,1,0|0,0,0]=2 91 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccccc2 WXVL_AK00502SB0489 [0,1,0,0,1,0|0,0,0]=2 92 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccccn2 WXVL_AK0018SB0489 [0,1,0,0,1,0|1,0,0]=3 93 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccccn2 WXVL_AK0018SB0489 [0,1,0,0,1,0|1,0,0]=3 94 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2cccnc2 WXVL_AK0020SB0489 [0,1,0,0,1,0|1,0,0]=3 95 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2cccnc2 WXVL_AK0020SB0489 [0,1,0,0,1,0|1,0,0]=3 96 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccncc2 WXVL_AK0021SB0489 [0,1,0,0,1,0|1,0,0]=3 97 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccncc2 WXVL_AK0021SB0489 [0,1,0,0,1,0|1,0,0]=3 98 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccncn2 WXVL_AK1356SB0489 [0,1,0,0,1,0|2,0,0]=4 99 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccncn2 WXVL_AK1356SB0489 [0,1,0,0,1,0|2,0,0]=4 100 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2cnccn2 WXVL_AK00262SB0489 [0,1,0,0,1,0|2,0,0]=4 101 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2cnccn2 WXVL_AK00262SB0489 [0,1,0,0,1,0|2,0,0]=4 102 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2cncnc2 WXVL_AK1364SB0489 [0,1,0,0,1,0|2,0,0]=4 103 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2cncnc2 WXVL_AK1364SB0489 [0,1,0,0,1,0|2,0,0]=4 104 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ncccn2 WXVL_AK0279SB0489 [0,1,0,0,1,0|2,0,0]=4 105 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ncccn2 WXVL_AK0279SB0489 [0,1,0,0,1,0|2,0,0]=4 106 B21R2.107208 Cc1ccccc1CCC(=O)N2CCCCC2C(=O)N WXVL_AN2497SB0422 [0,1,0,0,1,0|2,0,0]=4 107 B21R2.107208 NC(=O)C1CCCCN1C(=O)CCc2ccccc2Br WXVL_AN2497SB1278 [0,1,0,0,1,0|2,0,0]=4 108 B21R2.107208 NC(=O)C1CCCCN1C(=O)CCc2ccccc2Cl WXVL_AN2497SB0140 [0,1,0,0,1,0|2,0,0]=4 109 B21R2.107208 NC(=O)C1CCCCN1C(=O)CCc2ccccc2F WXVL_AN2497SB0008 [0,1,0,0,1,0|2,0,0]=4 110 B21R2.222491 Cc1cccc(c1)CCC(=O)N2CCCCC2C(=O)N WXVL_AN2497SB1394 [0,1,0,0,1,0|2,0,0]=4 111 B21R2.222491 Cc1cccc(c1)CNC(=O)N2CCCCC2C(=O)N WXVL_AN2497YV0178 [0,1,0,0,1,0|2,0,0]=4 112 B21R2.222491 NC(=O)C1CCCCN1C(=O)CCc2cccc(c2)Br WXVL_AN2497SB0278 [0,1,0,0,1,0|2,0,0]=4 113 B21R2.222491 NC(=O)C1CCCCN1C(=O)CCc2cccc(c2)O WXVL_AN2497SB3088 [0,1,0,0,1,0|2,0,0]=4 114 B21R2.222491 NC(=O)C1CCCCN1C(=O)NCc2cccc(c2)F WXVL_AN2497YV0073 [0,1,0,0,1,0|2,0,0]=4 115 B21R2.252192 CC(CC(=O)N1CCCCC1C(=O)N)c2ccccc2 WXVL_AN2497SB0419 [0,1,0,0,1,0|2,0,0]=4 116 B21R2.252192 C[C@@H](NC(=O)N1CCCCC1C(=O)N)c2ccccc2 WXVL_AN2497YV0061 [0,1,0,0,1,0|2,0,0]=4 117 B21R2.252192 C[C@H](NC(=O)N1CCCCC1C(=O)N)c2ccccc2 WXVL_AN2497YV0029 [0,1,0,0,1,0|2,0,0]=4 118 B21R2.252192 NC(=O)C1CCCCN1C(=O)CC(O)c2ccccc2 WXVL_AN2497SB2325 [0,1,0,0,1,0|2,0,0]=4 119 B21R2.4372528 CC(=O)N1C[C@@H](C[C@H]1C(=O)NCCc2ccccc2)O WXVL_AK00498SB0153 [0,1,0,0,1,0|2,0,0]=4 120 B21R2.4372528 CC(=O)N1C[C@@H](C[C@H]1C(=O)NCCc2ccccc2)O WXVL_AK00498SB0153 [0,1,0,0,1,0|2,0,0]=4 121 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cc[nH]n2 WXVL_AK1576SB0489 [0,1,0,0,1,0|2,0,0]=4 122 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cc[nH]n2 WXVL_AK1576SB0489 [0,1,0,0,1,0|2,0,0]=4 123 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccco2 WXVL_AK0989SB0489 [0,1,0,0,1,0|1,0,0]=3 124 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccco2 WXVL_AK0989SB0489 [0,1,0,0,1,0|1,0,0]=3 125 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccs2 WXVL_AK0098SB0489 [0,1,0,0,1,0|1,0,0]=3 126 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccs2 WXVL_AK0098SB0489 [0,1,0,0,1,0|1,0,0]=3 127 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccsc2 WXVL_AK1342SB0489 [0,1,0,0,1,0|1,0,0]=3 128 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccsc2 WXVL_AK1342SB0489 [0,1,0,0,1,0|1,0,0]=3 129 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cnc[nH]2 WXVL_AK0479SB0489 [0,1,0,0,1,0|2,0,0]=4 130 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cnc[nH]2 WXVL_AK0479SB0489 [0,1,0,0,1,0|2,0,0]=4 131 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ncc[nH]2 WXVL_AK00009SB0489 [0,1,0,0,1,0|2,0,0]=4 132 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ncc[nH]2 WXVL_AK00009SB0489 [0,1,0,0,1,0|2,0,0]=4 133 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2nccs2 WXVL_AK0181SB0489 [0,1,0,0,1,0|2,0,0]=4 134 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2nccs2 WXVL_AK0181SB0489 [0,1,0,0,1,0|2,0,0]=4 135 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCn2cccc2 WXVL_AK1188SB0489 [0,1,0,0,1,0|1,0,0]=3 136 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCn2cccc2 WXVL_AK1188SB0489 [0,1,0,0,1,0|1,0,0]=3 137 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCn2ccnc2 WXVL_AK00034SB0489 [0,1,0,0,1,0|2,0,0]=4 138 B21R2.379440 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCn2ccnc2 WXVL_AK00034SB0489 [0,1,0,0,1,0|2,0,0]=4 139 B23R2.763305 COC(=O)C1CC=CCC1C(=O)NCCCc2ccccc2 WXVL_AK0074SB2499 [0,1,0,0,0,1|0,0,2]=4 140 B23R2.763305 COC(=O)C1CC=CCC1C(=O)NCCCc2ccccc2 WXVL_AK0074SB2499 [0,1,0,0,0,1|0,0,2]=4 141 B23R2.763305 COC(=O)C1CC=CCC1C(=O)NCCNc2ccccc2 WXVL_AK2478SB2499 [0,1,0,0,0,1|0,0,2]=4 142 B23R2.763305 COC(=O)C1CC=CCC1C(=O)NCCNc2ccccc2 WXVL_AK2478SB2499 [0,1,0,0,0,1|0,0,2]=4 143 B23R2.763305 COC(=O)C1CC=CCC1C(=O)NCCOc2ccccc2 WXVL_AK0103SB2499 [0,1,0,0,0,1|0,0,2]=4 144 B23R2.763305 COC(=O)C1CC=CCC1C(=O)NCCOc2ccccc2 WXVL_AK0103SB2499 [0,1,0,0,0,1|0,0,2]=4 145 B23R2.763305 COC(=O)C1CCCCN1C(=O)CCCCc2ccccc2 WXVL_AN0557SB0460 [0,1,0,0,0,1|2,0,0]=4 146 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NC/C=C/c2ccccc2 WXVL_AK00073SB0489 [0,1,0,0,0,1|0,0,1]=3 147 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NC/C=C/c2ccccc2 WXVL_AK00073SB0489 [0,1,0,0,0,1|0,0,1]=3 148 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2ccccc2 WXVL_AK0074SB0489 [0,1,0,0,0,1|0,0,0]=2 149 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2ccccc2 WXVL_AK0074SB0489 [0,1,0,0,0,1|0,0,0]=2 150 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2cccnc2 WXVL_AK2339SB0489 [0,1,0,0,0,1|1,0,0]=3 151 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2cccnc2 WXVL_AK2339SB0489 [0,1,0,0,0,1|1,0,0]=3 152 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2ccncc2 WXVL_AK1251SB0489 [0,1,0,0,0,1|1,0,0]=3 153 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2ccncc2 WXVL_AK1251SB0489 [0,1,0,0,0,1|1,0,0]=3 154 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCNc2ccccc2 WXVL_AK2478SB0489 [0,1,0,0,0,1|0,0,0]=2 155 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCNc2ccccc2 WXVL_AK2478SB0489 [0,1,0,0,0,1|0,0,0]=2 156 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2ccccc2 WXVL_AK0103SB0489 [0,1,0,0,0,1|0,0,0]=2 157 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2ccccc2 WXVL_AK0103SB0489 [0,1,0,0,0,1|0,0,0]=2 158 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2ccccn2 WXVL_AK2654SB0489 [0,1,0,0,0,1|1,0,0]=3 159 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2ccccn2 WXVL_AK2654SB0489 [0,1,0,0,0,1|1,0,0]=3 160 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2cccnc2 WXVL_AK2245SB0489 [0,1,0,0,0,1|1,0,0]=3 161 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2cccnc2 WXVL_AK2245SB0489 [0,1,0,0,0,1|1,0,0]=3 162 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2ccncc2 WXVL_AK00818SB0489 [0,1,0,0,0,1|1,0,0]=3 163 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCOc2ccncc2 WXVL_AK00818SB0489 [0,1,0,0,0,1|1,0,0]=3 164 B23R2.27973 COC(=O)C1CC=CCC1C(=O)NCC(C)c2ccccc2 WXVL_AK00546SB2499 [0,2,0,0,0,0|0,0,2]=4 165 B23R2.27973 COC(=O)C1CC=CCC1C(=O)NCC(C)c2ccccc2 WXVL_AK00546SB2499 [0,2,0,0,0,0|0,0,2]=4 166 B23R2.27973 COC(=O)C1CC=CCC1C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB2499 [0,2,0,0,0,0|0,0,2]=4 167 B23R2.27973 COC(=O)C1CC=CCC1C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB2499 [0,2,0,0,0,0|0,0,2]=4 168 B23R2.27973 COC(=O)C1CC=CCC1C(=O)NC[C@@H](C)c2ccccc2 WXVL_AK00506SB2499 [0,2,0,0,0,0|0,0,2]=4 169 B23R2.27973 COC(=O)C1CC=CCC1C(=O)NC[C@@H](C)c2ccccc2 WXVL_AK00506SB2499 [0,2,0,0,0,0|0,0,2]=4 170 B23R2.27973 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCC(C)c2ccccc2 WXVL_AK00546SB0489 [0,2,0,0,0,0|0,0,0]=2 171 B23R2.27973 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCC(C)c2ccccc2 WXVL_AK00546SB0489 [0,2,0,0,0,0|0,0,0]=2 172 B23R2.27973 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB0489 [0,2,0,0,0,0|0,0,0]=2 173 B23R2.27973 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCC(O)c2ccccc2 WXVL_AK0051SB0489 [0,2,0,0,0,0|0,0,0]=2 174 B23R2.27973 COC(=O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H](C)c2ccccc2 WXVL_AK00506SB0489 [0,2,0,0,0,0|0,0,0]=2 175 B23R2.27973 COC(=O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H](C)c2ccccc2 WXVL_AK00506SB0489 [0,2,0,0,0,0|0,0,0]=2 176 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)Br WXVL_AK0800SB2499 [0,2,0,0,0,0|0,0,2]=4 177 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)Br WXVL_AK0800SB2499 [0,2,0,0,0,0|0,0,2]=4 178 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)C WXVL_AK8219SB2499 [0,2,0,0,0,0|0,0,2]=4 179 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)C WXVL_AK8219SB2499 [0,2,0,0,0,0|0,0,2]=4 180 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)Cl WXVL_AK0776SB2499 [0,2,0,0,0,0|0,0,2]=4 181 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)Cl WXVL_AK0776SB2499 [0,2,0,0,0,0|0,0,2]=4 182 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)F WXVL_AK0117SB2499 [0,2,0,0,0,0|0,0,2]=4 183 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)F WXVL_AK0117SB2499 [0,2,0,0,0,0|0,0,2]=4 184 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)O WXVL_AK00421SB2499 [0,2,0,0,0,0|0,0,2]=4 185 B23R2.763304 COC(=O)C1CC=CCC1C(=O)NCCc2cccc(c2)O WXVL_AK00421SB2499 [0,2,0,0,0,0|0,0,2]=4 186 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)Br WXVL_AK0800SB0489 [0,2,0,0,0,0|0,0,0]=2 187 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)Br WXVL_AK0800SB0489 [0,2,0,0,0,0|0,0,0]=2 188 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)C WXVL_AK8219SB0489 [0,2,0,0,0,0|0,0,0]=2 189 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)C WXVL_AK8219SB0489 [0,2,0,0,0,0|0,0,0]=2 190 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)Cl WXVL_AK0776SB0489 [0,2,0,0,0,0|0,0,0]=2 191 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)Cl WXVL_AK0776SB0489 [0,2,0,0,0,0|0,0,0]=2 192 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)F WXVL_AK0117SB0489 [0,2,0,0,0,0|0,0,0]=2 193 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)F WXVL_AK0117SB0489 [0,2,0,0,0,0|0,0,0]=2 194 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)O WXVL_AK00421SB0489 [0,2,0,0,0,0|0,0,0]=2 195 B23R2.763304 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2cccc(c2)O WXVL_AK00421SB0489 [0,2,0,0,0,0|0,0,0]=2 196 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2Br WXVL_AK0778SB2499 [0,2,0,0,0,0|0,0,2]=4 197 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2Br WXVL_AK0778SB2499 [0,2,0,0,0,0|0,0,2]=4 198 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2C WXVL_AK0254SB2499 [0,2,0,0,0,0|0,0,2]=4 199 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2C WXVL_AK0254SB2499 [0,2,0,0,0,0|0,0,2]=4 200 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2Cl WXVL_AK0715SB2499 [0,2,0,0,0,0|0,0,2]=4 201 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2Cl WXVL_AK0715SB2499 [0,2,0,0,0,0|0,0,2]=4 202 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2F WXVL_AK0118SB2499 [0,2,0,0,0,0|0,0,2]=4 203 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2F WXVL_AK0118SB2499 [0,2,0,0,0,0|0,0,2]=4 204 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2O WXVL_AK2884SB2499 [0,2,0,0,0,0|0,0,2]=4 205 B23R2.12190825 COC(=O)C1CC=CCC1C(=O)NCCc2ccccc2O WXVL_AK2884SB2499 [0,2,0,0,0,0|0,0,2]=4 206 B23R2.12190825 COC(=O)C1CCCCN1C(=O)CCCc2ccccc2F WXVL_AN0557SB3843 [0,2,0,0,0,0|2,0,0]=4 207 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2Br WXVL_AK0778SB0489 [0,2,0,0,0,0|0,0,0]=2 208 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2Br WXVL_AK0778SB0489 [0,2,0,0,0,0|0,0,0]=2 209 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2C WXVL_AK0254SB0489 [0,2,0,0,0,0|0,0,0]=2 210 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2C WXVL_AK0254SB0489 [0,2,0,0,0,0|0,0,0]=2 211 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2Cl WXVL_AK0715SB0489 [0,2,0,0,0,0|0,0,0]=2 212 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2Cl WXVL_AK0715SB0489 [0,2,0,0,0,0|0,0,0]=2 213 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2F WXVL_AK0118SB0489 [0,2,0,0,0,0|0,0,0]=2 214 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2F WXVL_AK0118SB0489 [0,2,0,0,0,0|0,0,0]=2 215 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2O WXVL_AK2884SB0489 [0,2,0,0,0,0|0,0,0]=2 216 B23R2.12190825 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccccc2O WXVL_AK2884SB0489 [0,2,0,0,0,0|0,0,0]=2 217 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)Br WXVL_AK0745SB2499 [0,2,0,0,0,0|0,0,2]=4 218 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)Br WXVL_AK0745SB2499 [0,2,0,0,0,0|0,0,2]=4 219 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)C WXVL_AK0066SB2499 [0,2,0,0,0,0|0,0,2]=4 220 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)C WXVL_AK0066SB2499 [0,2,0,0,0,0|0,0,2]=4 221 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)Cl WXVL_AK1369SB2499 [0,2,0,0,0,0|0,0,2]=4 222 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)Cl WXVL_AK1369SB2499 [0,2,0,0,0,0|0,0,2]=4 223 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)F WXVL_AK0123SB2499 [0,2,0,0,0,0|0,0,2]=4 224 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)F WXVL_AK0123SB2499 [0,2,0,0,0,0|0,0,2]=4 225 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)O WXVL_AK0748SB2499 [0,2,0,0,0,0|0,0,2]=4 226 B23R2.737259 COC(=O)C1CC=CCC1C(=O)NCCc2ccc(cc2)O WXVL_AK0748SB2499 [0,2,0,0,0,0|0,0,2]=4 227 B23R2.737259 COC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)Br WXVL_AN0557SB4477 [0,2,0,0,0,0|2,0,0]=4 228 B23R2.737259 COC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)F WXVL_AN0557SB1490 [0,2,0,0,0,0|2,0,0]=4 229 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)Br WXVL_AK0745SB0489 [0,2,0,0,0,0|0,0,0]=2 230 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)Br WXVL_AK0745SB0489 [0,2,0,0,0,0|0,0,0]=2 231 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)C WXVL_AK0066SB0489 [0,2,0,0,0,0|0,0,0]=2 232 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)C WXVL_AK0066SB0489 [0,2,0,0,0,0|0,0,0]=2 233 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)Cl WXVL_AK1369SB0489 [0,2,0,0,0,0|0,0,0]=2 234 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)Cl WXVL_AK1369SB0489 [0,2,0,0,0,0|0,0,0]=2 235 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)F WXVL_AK0123SB0489 [0,2,0,0,0,0|0,0,0]=2 236 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)F WXVL_AK0123SB0489 [0,2,0,0,0,0|0,0,0]=2 237 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)O WXVL_AK0748SB0489 [0,2,0,0,0,0|0,0,0]=2 238 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ccc(cc2)O WXVL_AK0748SB0489 [0,2,0,0,0,0|0,0,0]=2 239 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ncc(cn2)C WXVL_AK00290SB0489 [0,2,0,0,0,0|2,0,0]=4 240 B23R2.737259 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc2ncc(cn2)C WXVL_AK00290SB0489 [0,2,0,0,0,0|2,0,0]=4 241 B23R2.617746 CCOC(=O)[C@@H]1CCCCN1C(=O)CCCc2ccccc2 WXVL_AN3118SB0121 [0,2,0,0,0,0|2,0,0]=4 242 B23R3.70577 COC(=O)C1CCCCN1C(=O)C2CCc3c2cccc3 WXVL_AN0557SB3073 [0,1,0,1,0,0|2,0,0]=4 243 B23R3.1381499 COC(=O)C1CCCCN1C(=O)C2CC2c3ccccc3 WXVL_AN0557SB2474 [0,1,0,1,0,0|2,0,0]=4 244 B23R3.1381499 COC(=O)C1CCCCN1C(=O)[C@@H]2C[C@H]2c3ccccc3 WXVL_AN0557SB3176 [0,1,0,1,0,0|2,0,0]=4 245 B19R2.3421 O=C(CCc1ccccc1)N2CCCCC2CO WXVL_AN0018SB0067 [1,0,0,0,1,0|1,0,1]=4 246 B19R2.3421 O=C(CCc1ccccc1)N2CCCCC2CO WXVL_AN0018SB0067 [1,0,0,0,1,0|1,0,1]=4 247 B19R2.8825 NC(=O)C1CCCCN1C(=O)Cc2ccccc2 WXVL_AN2497SB0092 [0,0,0,0,2,0|2,0,0]=4 248 B19R2.8883 NC(=O)C1CCCN1C(=O)CCc2ccccc2 WXVL_AN00628SB0067 [0,0,0,0,2,0|2,0,0]=4 249 B19R2.8883 NC(=O)[C@@H]1CCCN1C(=O)CCc2ccccc2 WXVL_AN0009SB0067 [0,0,0,0,2,0|2,0,0]=4 250 B19R2.8883 NC(=O)[C@@H]1CCCN1C(=O)CCc2ccccc2 WXVL_AN0009SB0067 [0,0,0,0,2,0|2,0,0]=4