0 B15R1.1350 CCC(C(=O)NC(=O)N)C1=CC=CC=C1 MCULE-4830935118 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.1350 CCC(C1=CC=CC=C1)N(C)CC(=O)O MCULE-6571605831 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.1350 CCN(C(=N)NC(=N)N)C1=CC=CC=C1 MCULE-2593951238 [0,0,0,0,0,0|3,0,0]=3 3 B15R1.1350 CCN(C(=N)NC(=N)N)C1=CC=CC=C1 MCULE-8950419245 [0,0,0,0,0,0|3,0,0]=3 4 B15R1.1350 CCN(C(=O)CC(=O)C)C1=CC=CC=C1 MCULE-5268059342 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 MCULE-4177408486 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.417 NC(=O)NC(=O)C(Cl)C1=CC=CC=C1 MCULE-8649787623 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.540 CCC(=NNC(=S)N)C1=CC=CC=C1 MCULE-1789728846 [1,0,0,0,0,0|1,1,1]=4 8 B14R1.540 CCC(NCC(=O)O)C1=CC=CC=C1 MCULE-4904432491 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.540 CSC(=NNC(=O)N)C1=CC=CC=C1 MCULE-5897235926 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.540 NC(=O)OCC(CO)C1=CC=CC=C1 MCULE-5016914467 [1,0,0,0,0,0|2,0,1]=4 11 B14R1.604 CCOC(=O)C(CC)C1=CC=CC=C1 MCULE-3215428758 [1,0,0,0,0,0|2,0,1]=4 12 B16R1.859 CCC(=O)NC(=S)N(CC)C1=CC=CC=C1 MCULE-5872607469 [0,1,0,0,0,0|2,1,0]=4 13 B16R1.58978 CC(=O)NC(=O)C(C(=O)C)C1=CC=CC=C1 MCULE-7054871222 [0,1,0,0,0,0|1,0,1]=3 14 B16R2.188 CCC(C1=CC=CC=C1)C2=NN=C(O2)N MCULE-7553916326 [0,0,0,1,0,0|3,0,0]=4 15 B16R2.188 CCC(C1=CC=CC=C1)C2=NN=C(S2)N MCULE-1111791045 [0,0,0,1,0,0|3,0,0]=4 16 B16R2.188 CCC(C1=CC=CC=C1)C2CNC(=O)C2 MCULE-5531246376 [0,0,0,1,0,0|2,0,1]=4 17 B16R2.520 CC(=O)CC(=O)N1CCC2=C1C=CC=C2 MCULE-5763757524 [0,0,0,1,0,0|3,0,0]=4 18 B16R2.2247 CC1=CC(=O)NC(=O)N1C2=CC=CC=C2 MCULE-9977925507 [0,0,0,1,0,0|2,0,1]=4 19 B16R2.2247 O=C1NC(=O)C(C(=O)N1)C2=CC=CC=C2 MCULE-5920582402 [0,0,0,1,0,0|1,0,1]=3 20 B16R2.2247 O=C1NC(=S)NC(=O)C1C2=CC=CC=C2 MCULE-3840870538 [0,0,0,1,0,0|1,1,1]=4 21 B16R2.2816 O=C1NS(=O)(=O)CCC1C2=CC=CC=C2 MCULE-7294567961 [0,0,0,1,0,0|2,0,0]=3 22 B16R2.5530 CCC(C(=O)NC1CC1)C2=CC=CC=C2 MCULE-7652191949 [0,0,0,1,0,0|2,0,1]=4 23 B16R2.6150 CCN1C2=CC=CC=C2N=C1NC(=O)C MCULE-7539869004 [0,0,0,1,0,0|3,0,0]=4 24 B16R2.12348 O=C(O)C1CCN(C1=O)C2=CC=CC=C2 MCULE-2950323058 [0,0,0,1,0,0|3,0,0]=4 25 B16R2.46425 CCC1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-8785578146 [0,0,0,1,0,0|0,0,0]=1 26 B16R2.46425 CCC1(NC(=S)NC1=O)C2=CC=CC=C2 MCULE-5647137475 [0,0,0,1,0,0|0,1,0]=2 27 B16R2.46425 CC[C@@]1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-6168584097 [0,0,0,1,0,0|0,0,0]=1 28 B16R2.46425 NCC1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-5431258203 [0,0,0,1,0,0|1,0,0]=2 29 B16R2.46425 NCC1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-7076052525 [0,0,0,1,0,0|1,0,0]=2 30 B16R1.626 CCC(NC(=N)NN(=O)=O)C1=CC=CC=C1 MCULE-4684007585 [0,0,0,0,0,1|3,0,0]=4 31 B16R1.750 CCC(OC1=CC=CC=C1)C(=O)NC(C)C MCULE-2363765320 [0,0,0,0,0,1|2,0,1]=4 32 B16R1.1673 CCC(C(=O)NCC(C)C)C1=CC=CC=C1 MCULE-2095649396 [0,0,0,0,0,1|2,0,1]=4 33 B16R1.1673 CCN(C(=O)CCC(=O)O)C1=CC=CC=C1 MCULE-2320223487 [0,0,0,0,0,1|3,0,0]=4 34 B13R1.45 C/C(=N\NC(=O)N)/C1=CC=CC=C1 MCULE-5417074554 [2,0,0,0,0,0|1,0,1]=4 35 B13R1.45 CC(=NNC(=O)N)C1=CC=CC=C1 MCULE-2698194685 [2,0,0,0,0,0|1,0,1]=4 36 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 MCULE-5025301335 [2,0,0,0,0,0|2,0,0]=4 37 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 MCULE-5266500580 [2,0,0,0,0,0|2,0,0]=4 38 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 MCULE-4570583479 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.348 CC(CC1=CC=CC=C1)NC(=O)N MCULE-7406787630 [2,0,0,0,0,0|1,0,1]=4 40 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 MCULE-7359277785 [2,0,0,0,0,0|0,0,0]=2 41 B13R1.348 O=C(Cl)CC(=O)CC1=CC=CC=C1 MCULE-9142165063 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.348 O=C(O)CC(=O)CC1=CC=CC=C1 MCULE-2648013104 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.532 CCC(C(=O)NN)C1=CC=CC=C1 MCULE-5233018847 [2,0,0,0,0,0|0,0,0]=2 44 B13R1.532 CCC(C(=O)OC)C1=CC=CC=C1 MCULE-7366035728 [2,0,0,0,0,0|1,0,1]=4 45 B13R1.532 CCN(C(=O)CN)C1=CC=CC=C1 MCULE-4800115114 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.532 CCN(C(=O)CN)C1=CC=CC=C1 MCULE-7755518049 [2,0,0,0,0,0|1,0,1]=4 47 B13R1.532 COC(C(=O)NN)C1=CC=CC=C1 MCULE-6846012062 [2,0,0,0,0,0|1,0,0]=3 48 B15R1.950 CNC(=O)NC(=O)C(Cl)C1=CC=CC=C1 MCULE-2541726078 [1,1,0,0,0,0|1,0,0]=3 49 B15R1.950 COC(=O)CC(=O)C(C)C1=CC=CC=C1 MCULE-4943533083 [1,1,0,0,0,0|2,0,0]=4 50 B15R1.659 CCC(NNC(=O)C)C1=CC=C(C=C1)O MCULE-9326587405 [1,1,0,0,0,0|2,0,0]=4 51 B15R1.1097 CCC(CNC(=O)CCl)C1=CC=CC=C1 MCULE-3934009968 [1,1,0,0,0,0|1,0,1]=4 52 B15R1.13394 CCC(O)(COC(=O)N)C1=CC=CC=C1 MCULE-7651703819 [1,1,0,0,0,0|1,0,1]=4 53 B15R1.1215 C=CCNC(=O)C(CC)C1=CC=CC=C1 MCULE-6106199082 [1,1,0,0,0,0|1,0,0]=3 54 B15R1.1215 CCC(C(=O)NCCO)C1=CC=CC=C1 MCULE-5224109628 [1,1,0,0,0,0|0,0,2]=4 55 B15R1.1215 CCCNC(=O)C(CC)C1=CC=CC=C1 MCULE-5693451976 [1,1,0,0,0,0|1,0,1]=4 56 B15R2.324 CC1(CC(=O)NC1=O)C2=CC=CC=C2 MCULE-8692013785 [1,0,0,1,0,0|1,0,0]=3 57 B15R2.324 CC1(CC(=O)OC1=O)C2=CC=CC=C2 MCULE-1868964372 [1,0,0,1,0,0|2,0,0]=4 58 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-6255280668 [1,0,0,1,0,0|0,0,0]=2 59 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=NC=C2 MCULE-8885885502 [1,0,0,1,0,0|1,0,0]=3 60 B15R2.324 CC1(NC(=O)NC1=O)C2=CN=CC=C2 MCULE-7530224178 [1,0,0,1,0,0|1,0,0]=3 61 B15R2.324 CC1(NC(=O)NC1=O)C2=NC=CC=C2 MCULE-1447089908 [1,0,0,1,0,0|1,0,0]=3 62 B15R2.324 CC1(NC(=O)NC1=O)C2=NC=CN=C2 MCULE-3603571182 [1,0,0,1,0,0|2,0,0]=4 63 B15R2.324 CC1(NC(=O)OC1=O)C2=CC=CC=C2 MCULE-5600855596 [1,0,0,1,0,0|1,0,0]=3 64 B15R2.324 CC1(NC(=S)NC1=O)C2=CC=CC=C2 MCULE-6343822503 [1,0,0,1,0,0|0,1,0]=3 65 B15R2.324 CC1(OC(=NC1=O)N)C2=CC=CC=C2 MCULE-7412433280 [1,0,0,1,0,0|0,0,2]=4 66 B15R2.324 CC1(OC(=O)NC1=O)C2=CC=CC=C2 MCULE-2788423880 [1,0,0,1,0,0|1,0,0]=3 67 B15R2.324 C[C@@]1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-1701099035 [1,0,0,1,0,0|0,0,0]=2 68 B15R2.324 C[C@]1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-1666997642 [1,0,0,1,0,0|0,0,0]=2 69 B15R2.389 O=C1CCC(C(=O)O1)C2=CC=CC=C2 MCULE-5583169031 [1,0,0,1,0,0|2,0,0]=4 70 B15R2.389 O=C1CCN(C(=O)N1)C2=CC=CC=C2 MCULE-7759726448 [1,0,0,1,0,0|2,0,0]=4 71 B15R2.389 O=C1NC=C(C(=O)N1)C2=CC=CC=C2 MCULE-9885037982 [1,0,0,1,0,0|0,0,2]=4 72 B15R2.389 O=C1NCC(C(=O)N1)C2=CC=CC=C2 MCULE-4249875322 [1,0,0,1,0,0|0,0,0]=2 73 B15R2.6 NC(=O)NN=C1CCC2=CC=CC=C12 MCULE-2262287408 [1,0,0,1,0,0|1,0,1]=4 74 B15R2.59 CC(=O)N1CCC(C1)C2=CC=CC=C2 MCULE-8244904373 [1,0,0,1,0,0|1,0,1]=4 75 B15R2.548 O=C1CCC(CCN1)C2=CC=CC=C2 MCULE-6134023278 [1,0,0,1,0,0|1,0,1]=4 76 B15R2.548 O=C1CCCC(CN1)C2=CC=CC=C2 MCULE-6734539856 [1,0,0,1,0,0|1,0,1]=4 77 B15R2.548 O=C1COC(CCN1)C2=CC=CC=C2 MCULE-6347296864 [1,0,0,1,0,0|2,0,0]=4 78 B15R2.323 CC1C(=O)NC(=O)C1C2=CC=CC=C2 MCULE-8870100371 [1,0,0,1,0,0|0,0,0]=2 79 B15R2.323 CC1C(=O)NC(=O)N1C2=CC=CC=C2 MCULE-5115486021 [1,0,0,1,0,0|1,0,0]=3 80 B15R2.323 CN1C(=O)NC(=O)C1C2=CC=CC=C2 MCULE-6838161857 [1,0,0,1,0,0|1,0,0]=3 81 B15R2.323 O=C1NC(=O)C(C1Cl)C2=CC=CC=C2 MCULE-4042075356 [1,0,0,1,0,0|1,0,0]=3 82 B15R2.6124 CCN1C(=O)NC(=O)C2=CC=CC=C12 MCULE-3212726382 [1,0,0,1,0,0|1,0,0]=3 83 B15R2.6124 CCN1C(=O)OC(=O)C2=CC=CC=C12 MCULE-3738199982 [1,0,0,1,0,0|2,0,0]=4 84 B15R2.32 O=C1NCCN(C1=O)C2=CC=CC=C2 MCULE-6204960886 [0,0,0,1,1,0|1,0,0]=3 85 B15R2.32 O=C1OCCN(C1=O)C2=CC=CC=C2 MCULE-4866417087 [0,0,0,1,1,0|2,0,0]=4 86 B15R2.1255 O=C(O)C(=O)N1CCC2=C1C=CC=C2 MCULE-3214378893 [0,0,0,1,1,0|2,0,0]=4 87 B15R2.4190 CCN1C(=CC2=CC=CC=C12)C(=O)N MCULE-9203774720 [0,0,0,1,1,0|2,0,0]=4 88 B17R2.2275 CCN(C1=CC=CC=C1)C2SC(=O)NC2=O MCULE-8496559425 [0,0,0,1,0,1|2,0,0]=4 89 B17R2.3201 CC(=O)C1CCC(CC1=O)C2=CC=CC=C2 MCULE-8702835921 [0,0,0,1,0,1|2,0,0]=4 90 B17R2.2360 CC1=C(C(=O)NC(=O)N1)CC2=CC=CC=C2 MCULE-3253256998 [0,0,0,1,0,1|0,0,2]=4 91 B17R2.877 CC(=O)NCC(=O)N1CCC2=C1C=CC=C2 MCULE-6065739531 [0,0,0,1,0,1|2,0,0]=4 92 B17R2.877 O=C(O)CNC(=O)N1CCC2=C1C=CC=C2 MCULE-6661702262 [0,0,0,1,0,1|2,0,0]=4 93 B17R2.3547 NC(=O)NN=C1CCCC1C2=NC=CC=C2 MCULE-2853224910 [0,0,0,1,0,1|2,0,0]=4 94 B17R2.20443 O=C(O)CN1CCN(C1=O)C2=CC=CC=C2 MCULE-7586113826 [0,0,0,1,0,1|2,0,0]=4 95 B17R2.139510 CCN1C(=O)C(C2=CC=CC=C12)NC(=O)C MCULE-6700035835 [0,0,0,1,0,1|2,0,0]=4 96 B17R2.139510 CCN1C(=O)N(C2=C1C=CC=C2)CC(=O)O MCULE-4324940445 [0,0,0,1,0,1|2,0,0]=4 97 B17R2.139510 CCN1C(=O)N(C2=CC=CN=C12)CC(=O)N MCULE-2264522262 [0,0,0,1,0,1|2,0,0]=4 98 B17R2.142329 CCCC1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-2467158949 [0,1,0,1,0,0|0,0,0]=2 99 B17R2.2358 CN1C(=O)NC(=O)C(C1=O)C2=CC=CC=C2 MCULE-4211882668 [0,1,0,1,0,0|1,0,1]=4 100 B17R2.80254 CCC1(CCC(=O)NC1=O)C2=CC=CC=C2 MCULE-4406505200 [0,1,0,1,0,0|1,0,0]=3 101 B17R2.80254 CCC1(CCC(=O)NC1=O)C2=CC=NC=C2 MCULE-8996284693 [0,1,0,1,0,0|2,0,0]=4 102 B17R2.80254 CC[C@@]1(CCC(=O)NC1=O)C2=CC=NC=C2 MCULE-5867365182 [0,1,0,1,0,0|2,0,0]=4 103 B17R2.106153 CCC1(C(=O)NC(=O)N1C)C2=CC=CC=C2 MCULE-7337352786 [0,1,0,1,0,0|0,0,0]=2 104 B17R2.13193 CCC1(NC(=O)N(C1=O)C)C2=CC=CC=C2 MCULE-6021512202 [0,1,0,1,0,0|0,0,0]=2 105 B17R2.13193 CCC1(NC(=O)N(C1=O)N)C2=CC=CC=C2 MCULE-1716150539 [0,1,0,1,0,0|0,0,0]=2 106 B17R2.13193 CC[C@@]1(NC(=O)N(C1=O)C)C2=CC=CC=C2 MCULE-4539208083 [0,1,0,1,0,0|0,0,0]=2 107 B17R2.13193 CC[C@@]1(NC(=O)N(C1=O)C)C2=CC=CC=C2 MCULE-9553171957 [0,1,0,1,0,0|0,0,0]=2 108 B17R2.13193 CC[C@]1(NC(=O)N(C1=O)C)C2=CC=CC=C2 MCULE-1779856634 [0,1,0,1,0,0|0,0,0]=2 109 B17R2.13193 CC[C@]1(NC(=O)N(C1=O)C)C2=CC=CC=C2 MCULE-6565614091 [0,1,0,1,0,0|0,0,0]=2 110 B17R2.80415 CCC1(CC(=O)NC1=O)C2=CC=C(C=C2)C MCULE-9638498222 [0,1,0,1,0,0|1,0,0]=3 111 B17R2.80415 CCC1(CC(=O)OC1=O)C2=CC=C(C=C2)C MCULE-6712029556 [0,1,0,1,0,0|2,0,0]=4 112 B17R2.80415 CCC1(NC(=O)NC1=O)C2=CC=C(C=C2)O MCULE-3317906610 [0,1,0,1,0,0|0,0,0]=2 113 B17R2.80415 NCC1(NC(=O)NC1=O)C2=CC=C(C=C2)F MCULE-4381218458 [0,1,0,1,0,0|1,0,0]=3 114 B17R2.80415 NCC1(NC(=O)NC1=O)C2=CC=C(C=C2)F MCULE-6373419343 [0,1,0,1,0,0|1,0,0]=3 115 B17R2.80408 CCC1(NC(=O)NC1=O)C2=CC(=CC=C2)Cl MCULE-2783838454 [0,1,0,1,0,0|0,0,0]=2 116 B17R2.19321 CC(C)C1(NC(=O)NC1=O)C2=CC=CC=C2 MCULE-8356530087 [0,1,0,1,0,0|0,0,0]=2 117 B17R3.34638 O=C1CC2(CCC3=C2C=CC=C3)C(=O)N1 MCULE-2734778654 [0,0,0,2,0,0|1,0,0]=3 118 B17R3.34638 O=C1CC2(CCC3=C2C=CC=C3)C(=O)O1 MCULE-9311804338 [0,0,0,2,0,0|2,0,0]=4 119 B17R3.34638 O=C1NC(=O)C2(N1)CCC3=C2C=CC=C3 MCULE-1551360432 [0,0,0,2,0,0|0,0,0]=2 120 B17R3.34638 O=C1NC(=O)C2(O1)CCC3=C2C=CC=C3 MCULE-1623581517 [0,0,0,2,0,0|1,0,0]=3 121 B17R3.34638 O=C1NC2(CCC3=C2C=CC=C3)C(=O)O1 MCULE-3048096151 [0,0,0,2,0,0|1,0,0]=3 122 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N MCULE-2624287617 [1,0,0,0,1,0|1,0,1]=4 123 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N MCULE-9151101030 [1,0,0,0,1,0|1,0,1]=4 124 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 MCULE-2797491080 [1,0,0,0,1,0|2,0,0]=4 125 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 MCULE-5408454034 [1,0,0,0,1,0|2,0,0]=4 126 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 MCULE-3906807957 [1,0,0,0,1,0|2,0,0]=4 127 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 MCULE-9415047708 [1,0,0,0,1,0|2,0,0]=4 128 B13R1.713 CCC(=CC(=O)O)C1=CC=CC=C1 MCULE-7741650044 [1,0,0,0,1,0|1,0,1]=4 129 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 MCULE-9613424558 [1,0,0,0,1,0|1,0,1]=4 130 B13R1.713 CCC(NC(=O)C)C1=CC=CC=C1 MCULE-1786670029 [1,0,0,0,1,0|1,0,0]=3 131 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 MCULE-1554236816 [1,0,0,0,1,0|1,0,1]=4 132 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 MCULE-6107650661 [1,0,0,0,1,0|1,0,1]=4 133 B13R1.713 N#CC(NC(=O)N)C1=CC=CC=C1 MCULE-5488835904 [1,0,0,0,1,0|1,0,1]=4 134 B15R1.1076 CC(=O)CC(=O)NC(C)C1=CC=CC=C1 MCULE-2780466444 [1,0,0,0,0,1|2,0,0]=4 135 B15R1.1076 CC(=O)CC(=O)OC(C)C1=CC=CC=C1 MCULE-6578598106 [1,0,0,0,0,1|2,0,0]=4 136 B15R1.1076 CC(=O)NC(=O)NC(C)C1=CC=CC=C1 MCULE-2266231571 [1,0,0,0,0,1|1,0,0]=3 137 B15R1.1078 NC(C(=O)NCC(=O)O)C1=CC=CC=C1 MCULE-1132236178 [1,0,0,0,0,1|2,0,0]=4 138 B15R1.1078 N[C@H](C(=O)NCC(=O)O)C1=CC=CC=C1 MCULE-3520963758 [1,0,0,0,0,1|2,0,0]=4 139 B15R1.1078 N[C@H](C(=O)NCC(=O)O)C1=CC=CC=C1 MCULE-7170174095 [1,0,0,0,0,1|2,0,0]=4 140 B15R1.5331 COC(CNCC(=O)N)C1=CC=CC=C1 MCULE-6732746334 [1,0,0,0,0,1|1,0,1]=4 141 B17R1.3047 CCC(NC(=O)C=CC(=O)O)C1=CC=CC=C1 MCULE-8666289882 [0,0,0,0,0,2|2,0,0]=4 142 B17R1.3047 CCC(NC(=O)CCC(=O)O)C1=CC=CC=C1 MCULE-8229601086 [0,0,0,0,0,2|2,0,0]=4 143 B17R1.19820 NC(=O)NC(=O)N[C@@H](CO)CC1=CC=CC=C1 MCULE-7057247778 [0,0,0,0,0,2|1,0,0]=3 144 B17R1.786 O=C(O)CNC(=O)C(CS)CC1=CC=CC=C1 MCULE-8414221214 [0,0,0,0,0,2|2,0,0]=4 145 B17R1.3106 CCN(C(=O)NCCC(=O)O)C1=CC=CC=C1 MCULE-1531923294 [0,0,0,0,0,2|2,0,0]=4