0 B21R3.6855163 CC(=O)N1c2ccccc2C(=O)Cc3ccccc13 Amb22276999 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.6855163 NC(=O)N1c2ccccc2C=C(Br)c3ccccc13 Amb24059380 [0,0,0,0,0,0|1,0,1]=2 2 B21R3.6855163 O[C@@H]1Cc2ccccc2N(c3c1cccc3)C(=O)N Amb17618081 [0,0,0,0,0,0|0,0,2]=2 3 B20R3.5063761 ClC(=O)C1c2ccccc2CCc3ccccc13 Amb17894087 [1,0,0,0,0,0|2,0,1]=4 4 B20R3.5063761 N=C(O)N1c2ccccc2C=Cc3ccccc13 Amb22167477 [1,0,0,0,0,0|0,0,3]=4 5 B20R3.5063761 NC(=O)C1c2ccccc2CCc3c1cccc3 Amb16207438 [1,0,0,0,0,0|1,0,1]=3 6 B20R3.5063761 [15NH2][13C](=O)N1c2ccccc2C=Cc3ccccc13 Amb22367327 [1,0,0,0,0,0|0,0,1]=2 7 B22R3.17329053 CC(=O)N1c2ccccc2C=C(OC)c3ccccc13 Amb22277000 [0,1,0,0,0,0|1,0,2]=4 8 B22R3.17329053 COC1=Cc2ccccc2N(C(=O)Cl)c3ccccc13 Amb20171047 [0,1,0,0,0,0|1,0,2]=4 9 B22R3.17329053 COC1=Cc2ccccc2N(c3c1cccc3)C(=O)N Amb17616932 [0,1,0,0,0,0|0,0,2]=3 10 B22R3.49259128 BrC1C(=O)c2ccccc2N(c3c1cccc3)C(=O)N Amb17609999 [0,1,0,0,0,0|0,0,0]=1 11 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)C(=O)Cl)[2H] Amb17616051 [0,1,0,0,0,0|2,0,1]=4 12 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)C(=O)N)[2H] Amb17610477 [0,1,0,0,0,0|1,0,1]=3 13 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)C(=O)N)[2H] Amb17610478 [0,1,0,0,0,0|1,0,1]=3 14 B22R3.49259128 C1(=C([2H])c2ccccc2N(c3c1cccc3)[13C](=O)N)[2H] Amb17610476 [0,1,0,0,0,0|1,0,1]=3 15 B22R3.49259128 NC(=O)N1c2ccccc2C(=C(c3c1cccc3)O)O Amb17613037 [0,1,0,0,0,0|0,0,2]=3 16 B22R3.49259128 NC(=O)N1c2ccccc2C(=O)C(=O)c3ccccc13 Amb22055613 [0,1,0,0,0,0|0,0,1]=2 17 B22R3.49259128 OC1c2ccccc2N(c3c([C@@H]1O)cccc3)C(=O)N Amb17612934 [0,1,0,0,0,0|0,0,2]=3 18 B22R3.99401895 ClCC(=O)N1c2ccccc2C(=O)Nc3cccnc13 Amb17856343 [0,1,0,0,0,0|3,0,0]=4 19 B20R2.17795 CC(=O)Nc1ccccc1C(=O)Nc2ccccc2 Amb1351512 [0,0,1,0,0,0|2,0,0]=3 20 B20R2.17804 CC(=O)Cc1ccccc1OC(=O)c2ccccc2 Amb1199346 [0,0,1,0,0,0|3,0,0]=4 21 B20R2.17804 CC(=O)Nc1ccccc1OC(=O)c2c[n]ccc2 Amb24105954 [0,0,1,0,0,0|3,0,0]=4 22 B20R2.17804 NC(=O)Cc1ccccc1NC(=O)c2ccccc2 Amb10721424 [0,0,1,0,0,0|2,0,0]=3 23 B20R2.17804 NC(=O)Cc1ccccc1NC(=O)c2ccccn2 Amb10732808 [0,0,1,0,0,0|3,0,0]=4 24 B20R2.173480 CC(=O)N(c1ccccc1[N+]([O-])=O)c2ccccc2 Amb22462631 [0,0,1,0,0,0|3,0,0]=4 25 B20R2.173480 OC(=O)C(c1ccccc1C(O)=O)c2ccccc2 Amb24104644 [0,0,1,0,0,0|3,0,0]=4 26 B22R4.14913001 NC(=O)N1c2ccccc2C3C(c4c1cccc4)O3 Amb17610479 [0,0,0,1,0,0|0,0,2]=3 27 B22R4.14913001 O=C(Cl)N1c2ccccc2C3OC3c4ccccc14 Amb22055536 [0,0,0,1,0,0|1,0,2]=4 28 B20R3.3482734 [O-][N+](=O)C1c2ccccc2C(=O)c3c1cccc3 Amb16233587 [0,0,0,0,1,0|3,0,0]=4 29 B19R2.13525 CC(=O)Nc1ccccc1/C=C\c2ccccc2 Amb17843029 [1,0,1,0,0,0|1,0,1]=4 30 B19R2.13525 CC(=O)Nc1ccccc1CCc2ccccc2 Amb17777268 [1,0,1,0,0,0|1,0,1]=4 31 B19R2.13525 CC(=O)Nc1ccccc1OCc2ccccc2 Amb1233367 [1,0,1,0,0,0|2,0,0]=4 32 B19R2.13525 NC(=O)Nc1ccccc1OCc2ccccc2 Amb25060945 [1,0,1,0,0,0|1,0,0]=3 33 B19R2.13525 NC(=S)Nc1ccccc1OCc2ccccc2 Amb25823722 [1,0,1,0,0,0|1,1,0]=4 34 B19R2.7167 Cc1ccccc1N(C(N)=N)c2ccccc2C Amb22167892 [1,0,1,0,0,0|1,0,1]=4 35 B19R2.7167 NC(=O)N(c1ccccc1Br)c2ccccc2Br Amb22490246 [1,0,1,0,0,0|2,0,0]=4 36 B19R2.13831 NC(=O)N(c1ccccc1C#N)c2ccccc2 Amb22489622 [1,0,1,0,0,0|1,0,1]=4 37 B19R3.370303 CN1c2ccccc2NC(=O)c3ccccc13 Amb22055156 [2,0,0,0,0,0|1,0,1]=4 38 B19R3.370303 O=C1c2ccccc2C(=O)Nc3ccccc13 Amb19958244 [2,0,0,0,0,0|2,0,0]=4 39 B19R3.370303 O=C1c2ccccc2C(=O)Oc3ccccc13 Amb20243245 [2,0,0,0,0,0|2,0,0]=4 40 B21R2.37407 CCC(=O)Nc1ccccc1C(=O)Cc2ccccc2 Amb1081486 [0,1,1,0,0,0|1,0,0]=3 41 B21R2.37407 COC(=O)Nc1ccccc1C(=O)Cc2ccccc2 Amb2100021 [0,1,1,0,0,0|1,0,0]=3 42 B21R2.37407 ClCC(=O)Nc1ccccc1C(=O)Nc2ccccc2 Amb1056906 [0,1,1,0,0,0|2,0,0]=4 43 B21R2.19188 CC(=O)Nc1ccccc1NC(=O)c2ccc(cc2)Cl Amb1883591 [0,1,1,0,0,0|2,0,0]=4 44 B21R2.19188 NC(=O)Cc1ccccc1NC(=O)c2ccc(cc2)C Amb10721421 [0,1,1,0,0,0|2,0,0]=4 45 B21R2.19188 NC(=O)Cc1ccccc1NC(=O)c2ccc(cc2)Cl Amb10721427 [0,1,1,0,0,0|2,0,0]=4 46 B21R2.19188 NC(=O)Cc1ccccc1NC(=O)c2ccc(cc2)F Amb10721428 [0,1,1,0,0,0|2,0,0]=4 47 B21R2.37426 CNC(=O)Cc1ccccc1NC(=O)c2ccccc2 Amb10642431 [0,1,1,0,0,0|2,0,0]=4 48 B21R2.106668 CC(=O)Nc1ccccc1NC(=O)c2ccccc2Br Amb1883593 [0,1,1,0,0,0|2,0,0]=4 49 B21R2.106668 NC(=O)Cc1ccccc1NC(=O)c2ccccc2Cl Amb10721429 [0,1,1,0,0,0|2,0,0]=4 50 B21R2.106668 NC(=O)Cc1ccccc1NC(=O)c2ccccc2I Amb11308405 [0,1,1,0,0,0|2,0,0]=4 51 B21R2.222209 NC(=O)Cc1ccccc1NC(=O)c2cccc(c2)Cl Amb10638217 [0,1,1,0,0,0|2,0,0]=4 52 B21R2.222209 NC(=O)Cc1ccccc1NC(=O)c2cccc(c2)I Amb11308414 [0,1,1,0,0,0|2,0,0]=4 53 B21R3.163516 Oc1ccc2c(c1)C=Cc3c(N2C(=O)N)cccc3 Amb17615195 [1,1,0,0,0,0|0,0,1]=3 54 B21R3.3846869 Oc1ccc2c(c1)N(C(=O)N)c3ccccc3C=C2 Amb17615196 [1,1,0,0,0,0|0,0,1]=3 55 B21R3.9509984 ClCC(=O)N1c2ccccc2C=Cc3c1cccc3 Amb1063464 [1,1,0,0,0,0|1,0,1]=4 56 B21R3.13768472 OCC1c2ccccc2N(c3c1cccc3)C(=O)N Amb17615518 [0,1,0,0,1,0|0,0,2]=4 57 B21R3.51083628 CNC(=S)N1c2ccccc2C(=O)c3ccccc13 Amb20663692 [0,1,0,0,1,0|0,1,0]=3 58 B21R3.51083628 ClCC(=O)N1c2ccccc2S(=O)c3c1cccc3 Amb13777327 [0,1,0,0,1,0|2,0,0]=4 59 B23R3.165692204 O=CNC(=O)N1c2ccccc2CC(=O)c3ccccc13 Amb22055328 [0,2,0,0,0,0|0,0,0]=2 60 B21R3.19606 O=C1CC(c2ccccc2)S(=O)c3ccccc3N1 Amb23562680 [0,0,1,1,0,0|2,0,0]=4 61 B21R3.19521 O=C(N1NC(=O)Nc2ccccc12)c3ccncc3 Amb17774727 [0,0,1,1,0,0|2,0,0]=4 62 B21R3.19521 O=C1Nc2ccccc2N(C1)C(=O)c3ccccc3 Amb1543195 [0,0,1,1,0,0|2,0,0]=4 63 B21R3.29589416 O=C1CC(c2c1cccc2)(C(=O)O)c3ccccc3 Amb2440336 [0,0,1,1,0,0|2,0,0]=4 64 B21R4.443580 O=C1Cc2cccc3CCc4ccccc4N1c23 Amb22443166 [1,0,0,1,0,0|1,0,1]=4 65 B21R4.334 O=C1C2C=CC(c3ccccc32)c4ccccc41 Amb22464972 [1,0,0,1,0,0|2,0,0]=4 66 B21R4.6619917 Cc1[nH]c2cccc3C(=O)c4ccccc4-c1c23 Amb17901805 [0,0,0,1,1,0|2,0,0]=4 67 B21R4.6619917 O=C1c2ccccc2N3c4c(cccc14)OC3=O Amb20663735 [0,0,0,1,1,0|1,0,0]=3 68 B19R2.13527 CC(=O)Nc1ccccc1C(=O)c2ccccc2 Amb17749398 [0,0,1,0,1,0|1,0,0]=3 69 B19R2.13527 CC(=O)Nc1ccccc1C(=O)c2ccccn2 Amb17596661 [0,0,1,0,1,0|2,0,0]=4 70 B19R2.8831 NC(=O)c1ccccc1OC(=O)c2ccccc2 Amb22460949 [0,0,1,0,1,0|1,0,0]=3 71 B19R2.8831 O=C(c1ccccc1)Nc2ccccc2C(=O)C Amb157515 [0,0,1,0,1,0|2,0,0]=4 72 B19R2.8831 O=C(c1ccccc1)Nc2ccccc2C(=O)O Amb1014351 [0,0,1,0,1,0|2,0,0]=4 73 B19R2.8831 O=C(c1ccccn1)Nc2ccccc2C(=O)N Amb1239336 [0,0,1,0,1,0|2,0,0]=4 74 B19R2.8831 OC(=O)c1ccccc1CC(=O)c2ccccc2 Amb18548591 [0,0,1,0,1,0|1,0,0]=3 75 B19R2.8831 [O-][N+](=O)c1ccccc1CC(=O)c2ccccc2 Amb17845551 [0,0,1,0,1,0|2,0,0]=4 76 B19R3.629728 CC(=O)N1c2ccccc2Nc3ccccc13 Amb17845257 [1,0,0,0,1,0|2,0,0]=4 77 B19R3.629728 NC(=O)c1c2ccccc2cc3ccccc13 Amb17940386 [1,0,0,0,1,0|1,0,0]=3 78 B19R3.629728 NC(=S)c1c2ccccc2cc3ccccc31 Amb22048263 [1,0,0,0,1,0|1,1,0]=4 79 B19R3.629728 OC(=O)c1c2ccccc2cc3c1cccc3 Amb1232850 [1,0,0,0,1,0|2,0,0]=4 80 B19R3.6137085 C=CN1c2ccccc2C(=O)c3ccccc13 Amb18548536 [1,0,0,0,1,0|1,0,0]=3 81 B19R3.6137085 CCN1c2ccccc2C(=O)c3ccccc13 Amb20031638 [1,0,0,0,1,0|1,0,1]=4 82 B19R3.6137085 COn1c2ccccc2c(=O)c3c1cccc3 Amb10554724 [1,0,0,0,1,0|2,0,0]=4 83 B21R2.22495 O=C(Oc1ccccc1NC(=O)C)Nc2ccccc2 Amb2348867 [0,0,1,0,0,1|2,0,0]=4 84 B21R2.22510 CC(=O)Nc1ccc[n]c1C(=O)NCc2ccccc2 Amb24106101 [0,0,1,0,0,1|2,0,0]=4 85 B21R2.111511 NC(=O)COc1ccccc1C(=O)Nc2ccccc2 Amb1511859 [0,0,1,0,0,1|2,0,0]=4 86 B21R2.111511 NC(=O)CSc1ccccc1C(=O)Nc2ccccc2 Amb1558029 [0,0,1,0,0,1|2,0,0]=4 87 B21R2.111511 NC(=O)CSc1ccccc1C(=O)Oc2ccccc2 Amb11250346 [0,0,1,0,0,1|2,0,0]=4 88 B21R2.22501 CC(=O)Nc1ccccc1OCC(=O)c2ccccc2 Amb2368068 [0,0,1,0,0,1|1,0,0]=3 89 B21R2.255986 CC(=O)N(c1ccccc1C(=O)O)Cc2ccccc2 Amb10248 [0,0,1,0,0,1|2,0,0]=4 90 B21R2.4821877 CC(=O)c1ccccc1OC(C(O)=O)c2ccccc2 Amb18092940 [0,0,1,0,0,1|2,0,0]=4 91 B21R3.4977767 CC(=O)OC1c2ccccc2C(=O)c3c1cccc3 Amb17596946 [0,0,0,0,1,1|2,0,0]=4 92 B21R3.4977767 OC(=O)CN1c2ccccc2C(=O)c3ccccc13 Amb19372569 [0,0,0,0,1,1|1,0,0]=3 93 B21R3.4977767 [O-]C(=O)CN1c2ccccc2C(=O)c3ccccc13 Amb20414519 [0,0,0,0,1,1|1,0,0]=3 94 B21R3.4977767 [O-]C(=O)CN1c2ccccc2C(=O)c3ccccc13 Amb24055420 [0,0,0,0,1,1|1,0,0]=3 95 B23R3.16404585 CC(=O)OC1=Cc2ccccc2C(=O)Cc3ccccc13 Amb22456106 [0,0,0,0,0,2|2,0,0]=4