0 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [0,0,0,0,0,0|0,0,0]=0 4 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [0,0,0,0,0,0|1,0,0]=1 5 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [0,0,0,0,0,0|2,0,0]=2 6 B17R2.25462 O=C(O)CCCC1=CNC2=C1C=C(C=C2)F MCULE-2981152241 [0,0,0,0,0,0|3,0,0]=3 7 B17R2.25462 O=C(O)CCCC1=CNC2=CC=C(C=C12)Br MCULE-8939612998 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [1,0,0,0,0,0|0,0,0]=1 9 B16R2.36 CC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-5420752814 [1,0,0,0,0,0|1,0,1]=3 10 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [1,0,0,0,0,0|1,0,0]=2 11 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-3624253378 [1,0,0,0,0,0|1,0,1]=3 12 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-6669922334 [1,0,0,0,0,0|1,0,1]=3 13 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-7927210820 [1,0,0,0,0,0|1,0,1]=3 14 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [1,0,0,0,0,0|2,0,0]=3 15 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [1,0,0,0,0,0|1,0,0]=2 17 B16R2.36 NC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3098683675 [1,0,0,0,0,0|2,0,1]=4 18 B16R2.36 NC(=S)CCCC1=CNC2=C1C=CC=C2 MCULE-9048575666 [1,0,0,0,0,0|2,1,0]=4 19 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 MCULE-5137799018 [1,0,0,0,0,0|1,1,0]=3 20 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [1,0,0,0,0,0|2,0,0]=3 21 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [1,0,0,0,0,0|2,0,0]=3 22 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [1,0,0,0,0,0|2,0,0]=3 26 B18R2.40892 CC1=CC=C2NC=C(C2=C1)CCNS(=O)(=O)C MCULE-3351968600 [0,1,0,0,0,0|2,0,0]=3 27 B18R2.40892 CS(=O)(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-3273796123 [0,1,0,0,0,0|2,0,0]=3 28 B18R2.120971 CCC1=CC=C2SC=C(C2=C1)CCNC(=O)C MCULE-3758918719 [0,1,0,0,0,0|2,0,0]=3 29 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [0,1,0,0,0,0|2,0,0]=3 30 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-8622954894 [0,1,0,0,0,0|2,0,0]=3 31 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-9015984521 [0,1,0,0,0,0|2,0,0]=3 32 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [0,1,0,0,0,0|0,0,0]=1 33 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [0,1,0,0,0,0|1,0,0]=2 34 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [0,1,0,0,0,0|1,0,1]=3 35 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [0,1,0,0,0,0|1,0,1]=3 36 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-7990269939 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-8644135623 [0,1,0,0,0,0|3,0,0]=4 38 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CCNC(=N)N MCULE-3412630137 [0,1,0,0,0,0|2,0,0]=3 39 B18R2.746213 C=CC(=O)NCCC1=CNC2=CC=C(C=C12)C MCULE-6444833468 [0,1,0,0,0,0|1,0,1]=3 40 B18R2.746213 CCC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-3780380728 [0,1,0,0,0,0|1,0,0]=2 41 B18R2.746213 NCC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl MCULE-8715349415 [0,1,0,0,0,0|1,0,0]=2 42 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-4556328112 [0,1,0,0,0,0|1,0,0]=2 43 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-1352184206 [0,1,0,0,0,0|1,0,0]=2 44 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-2542107163 [0,1,0,0,0,0|1,0,0]=2 45 B18R2.746213 O=C(CCl)NCCC1=CNC2=CC=C(C=C12)F MCULE-2652503746 [0,1,0,0,0,0|1,0,0]=2 46 B18R3.30670 O=C1NC[C@@H](N1)C2=CNC3=C2C=C(C=C3)Br MCULE-5544262829 [0,0,0,1,0,0|2,0,0]=3 47 B18R3.30670 O=C1NC[C@H](N1)C2=CNC3=C2C=C(C=C3)Br MCULE-6216601742 [0,0,0,1,0,0|2,0,0]=3 48 B18R3.30670 O=C1N[C@@H](CO1)C2=CNC3=C2C=C(C=C3)Br MCULE-3694748414 [0,0,0,1,0,0|3,0,0]=4 49 B18R3.30670 O=C1N[C@H](CO1)C2=CNC3=C2C=C(C=C3)Br MCULE-6457849966 [0,0,0,1,0,0|3,0,0]=4 50 B18R3.4096714 CC1=CC2=C(C=C1)NC3=C2CCC3C(=O)N MCULE-5246304273 [0,0,0,1,0,0|3,0,0]=4 51 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [0,0,0,0,1,0|1,0,0]=2 52 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [0,0,0,0,1,0|1,0,0]=2 53 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [0,0,0,0,1,0|2,0,0]=3 54 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [0,0,0,0,1,0|2,0,0]=3 55 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-1556032580 [0,0,0,0,1,0|3,0,0]=4 56 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-4252363733 [0,0,0,0,1,0|3,0,0]=4 57 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N MCULE-2093808664 [0,0,0,0,1,0|3,0,0]=4 58 B16R2.15551 CN(C)CCC1=CNC2=CC=C(C=C12)Br MCULE-4875343540 [0,0,0,0,1,0|3,0,0]=4 59 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [0,0,0,0,1,0|2,0,0]=3 60 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [0,0,0,0,1,0|2,0,0]=3 61 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [0,0,0,0,1,0|1,0,0]=2 62 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [0,0,0,0,1,0|2,0,0]=3 63 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [0,0,0,0,1,0|2,0,0]=3 64 B18R2.31660 CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)O MCULE-6588919744 [0,0,0,0,0,1|1,0,0]=2 65 B18R2.40893 CC(=O)NCCCC1=CNC2=C1C=C(C=C2)C MCULE-3241605365 [0,0,0,0,0,1|1,0,0]=2 66 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Br MCULE-9504069883 [0,0,0,0,0,1|1,0,0]=2 67 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Cl MCULE-7359629042 [0,0,0,0,0,1|1,0,0]=2 68 B15R2.5 O=CNCCC1=CNC2=C1C=CC=C2 MCULE-2222832478 [2,0,0,0,0,0|0,0,0]=2 69 B15R2.5 O=CNCCC1=COC2=C1C=CC=C2 MCULE-6735163920 [2,0,0,0,0,0|1,0,0]=3 70 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-1823155663 [2,0,0,0,0,0|0,0,0]=2 71 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-2918354234 [2,0,0,0,0,0|0,0,0]=2 72 B17R1.1120 CC(=O)NCCNC(=S)NC1=CC=C(C=C1)Cl MCULE-5885247933 [0,1,1,0,0,0|2,0,0]=4 73 B17R1.1120 CC(=O)NCCNC(=S)NC1=CC=C(C=C1)F MCULE-9413503902 [0,1,1,0,0,0|2,0,0]=4 74 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-3205582070 [0,1,1,0,0,0|1,0,0]=3 75 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-5184710694 [0,1,1,0,0,0|1,0,0]=3 76 B17R2.4 C=CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4792628649 [1,1,0,0,0,0|0,0,1]=3 77 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9497470499 [1,1,0,0,0,0|0,0,0]=2 78 B17R2.4 CNC(=O)NCCC1=CNC2=NC=CC=C12 MCULE-8243894185 [1,1,0,0,0,0|1,0,0]=3 79 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 MCULE-4645011852 [1,1,0,0,0,0|0,1,0]=3 80 B17R2.4 COC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-3786832869 [1,1,0,0,0,0|1,0,0]=3 81 B17R2.4 COC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-5458659698 [1,1,0,0,0,0|0,0,0]=2 82 B17R2.4 COC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3403317723 [1,1,0,0,0,0|1,0,1]=4 83 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-1113251537 [1,1,0,0,0,0|0,0,0]=2 84 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4950900726 [1,1,0,0,0,0|0,0,0]=2 85 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 MCULE-6387956078 [1,1,0,0,0,0|0,0,0]=2 86 B17R2.4 O=C(CO)NN=CC1=CNC2=CC=CC=C12 MCULE-9280058455 [1,1,0,0,0,0|1,0,1]=4 87 B17R2.16 CC(=O)N(C)CCN1C=NC2=CC=CC=C12 MCULE-9528816741 [1,1,0,0,0,0|1,0,1]=4 88 B17R2.16 CC(C)N(C)CCC1=CNC2=CC=CC=C12 MCULE-1200318789 [1,1,0,0,0,0|1,0,1]=4 89 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [1,1,0,0,0,0|2,0,0]=4 90 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-3550791751 [1,1,0,0,0,0|0,0,0]=2 91 B17R2.39 CC(CC1=CNC2=C1C=CC=C2)NC(=O)N MCULE-7752352556 [1,1,0,0,0,0|1,0,0]=3 92 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [1,1,0,0,0,0|2,0,0]=4 93 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [1,1,0,0,0,0|2,0,0]=4 94 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [1,1,0,0,0,0|2,0,0]=4 95 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [1,1,0,0,0,0|2,0,0]=4 96 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [1,1,0,0,0,0|2,0,0]=4 97 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [1,1,0,0,0,0|2,0,0]=4 98 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [1,1,0,0,0,0|2,0,0]=4 99 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [1,1,0,0,0,0|2,0,0]=4 100 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [1,1,0,0,0,0|2,0,0]=4 101 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [1,1,0,0,0,0|2,0,0]=4 102 B17R2.877 CC(=O)NCC(O)C1=CNC2=C1C=CC=C2 MCULE-6719748377 [1,1,0,0,0,0|0,0,0]=2 103 B17R2.877 CC(=O)NNC(=O)C1=CNC2=C1C=CC=C2 MCULE-3592108507 [1,1,0,0,0,0|1,0,1]=4 104 B17R2.877 CC(=O)OCC(=O)C1=CNC2=C1C=CC=C2 MCULE-3203276983 [1,1,0,0,0,0|1,0,1]=4 105 B17R2.3451 CC(=O)NCCN1C=CC2=C1C=CC(=C2)Br MCULE-3674702463 [1,1,0,0,0,0|2,0,0]=4 106 B17R2.5025 CC(=O)NCCC1=C(NC2=C1C=CC=C2)Br MCULE-2178569993 [1,1,0,0,0,0|0,0,0]=2 107 B17R2.5025 CC(=O)NCCC1=C(NC2=CC=CC=C12)C MCULE-1737840553 [1,1,0,0,0,0|0,0,0]=2 108 B17R2.5025 CC(=O)NCCN1C2=CC=CC=C2N=C1N MCULE-9921733324 [1,1,0,0,0,0|1,0,1]=4 109 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)N MCULE-6692108952 [1,1,0,0,0,0|1,0,0]=3 110 B17R2.5025 O=C(O)CCCC1=C(NC2=C1C=CC=C2)Br MCULE-9724123135 [1,1,0,0,0,0|2,0,0]=4 111 B17R2.78537 CN1C=C(C2=C1C=CC=C2)CCCC(=O)O MCULE-6734730678 [1,1,0,0,0,0|2,0,0]=4 112 B17R2.1231010 COC1=CC2=C(C=C1)NC=C2CCNC=O MCULE-9732735780 [1,1,0,0,0,0|0,0,0]=2 113 B17R2.25454 CC1=C(C2=C(C=C1)NC=C2CCC(=O)O)Br MCULE-1270561973 [0,1,0,0,1,0|2,0,0]=4 114 B17R2.25454 O=C(O)CCC1=CNC2=C1C(=C(C=C2)Cl)Cl MCULE-6805502081 [0,1,0,0,1,0|2,0,0]=4 115 B17R2.25454 O=C(O)CCC1=CNC2=C1C(=C(C=C2)I)F MCULE-9386818531 [0,1,0,0,1,0|2,0,0]=4 116 B17R2.25460 C=C(C)C[C@@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-3261320871 [0,1,0,0,1,0|2,0,0]=4 117 B17R2.25460 C=C(C)C[C@@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-5225706889 [0,1,0,0,1,0|2,0,0]=4 118 B17R2.25460 C=C(C)C[C@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-3966043224 [0,1,0,0,1,0|2,0,0]=4 119 B17R2.25460 C=C(C)C[C@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-8468088945 [0,1,0,0,1,0|2,0,0]=4 120 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [0,1,0,0,1,0|2,0,0]=4 121 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [0,1,0,0,1,0|2,0,0]=4 122 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [0,1,0,0,1,0|2,0,0]=4 123 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [0,1,0,0,1,0|2,0,0]=4 124 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [0,1,0,0,1,0|2,0,0]=4 125 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [0,1,0,0,1,0|2,0,0]=4 126 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [0,1,0,0,1,0|2,0,0]=4 127 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [0,1,0,0,1,0|2,0,0]=4 128 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [0,1,0,0,1,0|2,0,0]=4 129 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [0,1,0,0,1,0|2,0,0]=4 130 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [0,1,0,0,1,0|2,0,0]=4 131 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [0,1,0,0,1,0|2,0,0]=4 132 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [0,1,0,0,1,0|2,0,0]=4 133 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [0,1,0,0,1,0|2,0,0]=4 134 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [0,1,0,0,1,0|1,0,0]=3 135 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [0,1,0,0,1,0|2,0,0]=4 136 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [0,1,0,0,1,0|2,0,0]=4 137 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [0,1,0,0,1,0|2,0,0]=4 138 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [0,1,0,0,1,0|2,0,0]=4 139 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [0,1,0,0,1,0|2,0,0]=4 140 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [0,1,0,0,1,0|2,0,0]=4 141 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [0,1,0,0,1,0|2,0,0]=4 142 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [0,1,0,0,1,0|1,0,0]=3 143 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [0,1,0,0,1,0|2,0,0]=4 144 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [0,1,0,0,1,0|2,0,0]=4 145 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [0,1,0,0,1,0|2,0,0]=4 146 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [0,1,0,0,1,0|2,0,0]=4 147 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [0,1,0,0,1,0|1,0,0]=3 148 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [0,1,0,0,1,0|2,0,0]=4 149 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [0,1,0,0,1,0|2,0,0]=4 150 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [0,1,0,0,1,0|1,0,0]=3 151 B17R2.39006 CC1=CC2=C(C=C1Br)C(=CN2)CCC(=O)O MCULE-4153664078 [0,1,0,0,1,0|2,0,0]=4 152 B17R2.39006 O=C(O)CCC1=CNC2=C1C=C(C(=C2)F)I MCULE-8699537217 [0,1,0,0,1,0|2,0,0]=4 153 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [0,1,0,0,1,0|1,0,0]=3 154 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCN(C)C MCULE-1161800007 [0,1,0,0,1,0|2,0,0]=4 155 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [0,1,0,0,1,0|1,0,0]=3 156 B17R2.150937 CC(=O)N/N=C/1\C(=O)NC2=C1C=C(C=C2)F MCULE-3306247441 [0,1,0,0,1,0|2,0,0]=4 157 B17R2.150937 CC1=C(C2=CC(=CC=C2N1)Cl)CCC(=O)O MCULE-3334002871 [0,1,0,0,1,0|2,0,0]=4 158 B17R2.150937 CC1=CC2=C(C=C1)NC(=C2CCC(=O)N)C MCULE-2971610625 [0,1,0,0,1,0|2,0,0]=4 159 B17R2.150937 CC1=CC=C2NC(=C(C2=C1)CCC(=O)O)C MCULE-9716733030 [0,1,0,0,1,0|2,0,0]=4 160 B17R2.468168 O=C(O)CCC1=CNC2=C1C=C(C=C2F)Br MCULE-6551498960 [0,1,0,0,1,0|2,0,0]=4 161 B19R2.27143 CCC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-1103445882 [0,1,0,0,0,1|2,0,0]=4 162 B19R2.27143 COC1=CC2=C(C=C1)CCC=C2CCNC(=O)C MCULE-5452326392 [0,1,0,0,0,1|1,0,0]=3 163 B19R2.27143 COC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-5632636487 [0,1,0,0,0,1|1,0,0]=3 164 B19R2.27143 COC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-9855404431 [0,1,0,0,0,1|1,0,0]=3 165 B19R2.27143 COC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1 MCULE-1357672701 [0,1,0,0,0,1|1,0,0]=3 166 B19R2.27143 COC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1 MCULE-3838308303 [0,1,0,0,0,1|1,0,0]=3 167 B19R2.897272 CC(=O)NCCC1=CC(=CC2=C1C=C(C=C2)O)O MCULE-7429091481 [0,1,0,0,0,1|1,0,0]=3 168 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C MCULE-6206385471 [0,2,0,0,0,0|1,0,0]=3 169 B19R2.68648 CCOC1=CC=C2NC=C(C2=C1)CCNC(C)C MCULE-2631943665 [0,2,0,0,0,0|1,0,1]=4 170 B19R2.68648 CCOC1=CC=C2NC=C(C2=C1)CCNC(C)C MCULE-2887652520 [0,2,0,0,0,0|1,0,1]=4 171 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)Br MCULE-8845379004 [0,2,0,0,0,0|0,0,0]=2 172 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)I MCULE-4835944162 [0,2,0,0,0,0|0,0,0]=2 173 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)O MCULE-9178007419 [0,2,0,0,0,0|0,0,0]=2 174 B19R2.1606290 COC1=CC2=C(C=C1Cl)NC=C2CCNC(=O)C MCULE-6641400206 [0,2,0,0,0,0|0,0,0]=2 175 B19R2.1606290 COC1=CC2=C(C=C1O)NC=C2CCNC(=O)C MCULE-7431346677 [0,2,0,0,0,0|0,0,0]=2 176 B19R2.1645485 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-9630822678 [0,2,0,0,0,0|0,0,1]=3 177 B19R2.1645485 CCC(=O)NCCC1=CNC2=CC=C(C=C12)OC MCULE-5127778268 [0,2,0,0,0,0|0,0,0]=2 178 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7977300330 [0,2,0,0,0,0|0,0,0]=2 179 B19R2.1645485 CNC(=S)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7374328716 [0,2,0,0,0,0|0,1,0]=3 180 B19R2.1645485 COC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-3623816185 [0,2,0,0,0,0|0,0,0]=2 181 B19R2.1645485 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCl MCULE-6749760943 [0,2,0,0,0,0|0,0,0]=2 182 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-4462085234 [0,2,0,0,0,0|0,0,0]=2 183 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-8963075267 [0,2,0,0,0,0|0,0,0]=2 184 B19R2.2057759 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-6389866207 [0,2,0,0,0,0|0,0,1]=3 185 B19R2.2087503 CNC(=S)NCCC1=C(NC2=C1C=C(C=C2)C)C MCULE-4773934493 [0,2,0,0,0,0|1,1,0]=4 186 B19R2.2087503 CNC(=S)NCCC1=C(NC2=C1C=C(C=C2)Cl)C MCULE-5856633259 [0,2,0,0,0,0|1,1,0]=4 187 B19R2.2087503 CNC(=S)NCCC1=C(NC2=C1C=C(C=C2)F)C MCULE-5429591959 [0,2,0,0,0,0|1,1,0]=4 188 B19R2.1701655 CCCC(=O)NCCC1=CNC2=CC=C(C=C12)C MCULE-6427548571 [0,2,0,0,0,0|1,0,0]=3 189 B19R2.1701655 CCNC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8493192789 [0,2,0,0,0,0|1,0,0]=3 190 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 MCULE-8314344011 [1,0,0,1,0,0|0,0,0]=2 191 B17R3.26 O=C1NC[C@@H](N1)C2=CNC3=CC=CC=C23 MCULE-3640424239 [1,0,0,1,0,0|1,0,0]=3 192 B17R3.26 O=C1NC[C@@H](N1)C2=CSC3=C2C=CC=C3 MCULE-4955084412 [1,0,0,1,0,0|2,0,0]=4 193 B17R3.26 O=C1NC[C@H](N1)C2=CNC3=CC=CC=C23 MCULE-8662242760 [1,0,0,1,0,0|1,0,0]=3 194 B17R3.26 O=C1NC[C@H](N1)C2=CSC3=C2C=CC=C3 MCULE-9689252060 [1,0,0,1,0,0|2,0,0]=4 195 B17R3.26 O=C1N[C@@H](CO1)C2=CNC3=CC=CC=C23 MCULE-7032320007 [1,0,0,1,0,0|2,0,0]=4 196 B17R3.26 O=C1N[C@H](CO1)C2=CNC3=CC=CC=C23 MCULE-9161144270 [1,0,0,1,0,0|2,0,0]=4 197 B17R3.66024 CC(=O)N1CCN2C1=NC3=C2C=CC=C3 MCULE-5380074355 [1,0,0,1,0,0|1,0,1]=4 198 B17R3.3312 FC1=CC=C2NC=C(C2=C1)C3CCNC3 MCULE-2170414588 [1,0,0,1,0,0|1,0,1]=4 199 B17R3.31653 BrC1=CC=C2NC3=C(C2=C1)CCNCC3 MCULE-6285004248 [1,0,0,1,0,0|1,0,1]=4 200 B17R3.31653 CC1=CC=C2NC3=C(C2=C1)CCNCC3 MCULE-8525438396 [1,0,0,1,0,0|1,0,1]=4 201 B17R3.31653 CC1=CC=C2NC3=C(C2=C1)CCNCC3 MCULE-9045776829 [1,0,0,1,0,0|1,0,1]=4 202 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6788319029 [1,0,0,1,0,0|2,0,0]=4 203 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCNC3=O MCULE-2557569732 [1,0,0,1,0,0|1,0,0]=3 204 B17R3.284867 NC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6876600633 [1,0,0,1,0,0|2,0,0]=4 205 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4813662071 [1,0,0,1,0,0|2,0,0]=4 206 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3890355112 [1,0,0,1,0,0|2,0,0]=4 207 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-5148930600 [1,0,0,1,0,0|2,0,0]=4 208 B17R3.284867 O=C1NCCC2=C1CC3=C2C=C(C=C3)I MCULE-1790423791 [1,0,0,1,0,0|2,0,0]=4 209 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)Br MCULE-2546477426 [1,0,0,1,0,0|1,0,0]=3 210 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5138010157 [1,0,0,1,0,0|1,0,0]=3 211 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)F MCULE-6577104822 [1,0,0,1,0,0|1,0,0]=3 212 B17R3.284867 O=C1NCCC2=C1NC3=CC=C(C=C23)I MCULE-5179573357 [1,0,0,1,0,0|1,0,0]=3 213 B17R3.284867 O=C1OCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4341190044 [1,0,0,1,0,0|2,0,0]=4 214 B17R3.19747 O=C1CCC2=C(C1)NC3=C2C=C(C=C3)F MCULE-7410192469 [0,0,0,1,1,0|1,0,0]=3 215 B19R3.7790954 CC1=CC=C2NC3=C(C2=C1)CCNC3C(=O)O MCULE-5048741321 [0,0,0,1,0,1|2,0,0]=4 216 B19R3.7790954 O=C(O)C1NCCC2=C1NC3=C2C=C(C=C3)F MCULE-1709906297 [0,0,0,1,0,1|2,0,0]=4 217 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3CNC(=O)N3 MCULE-2474753942 [0,1,0,1,0,0|1,0,0]=3 218 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3COC(=O)N3 MCULE-3628488278 [0,1,0,1,0,0|2,0,0]=4 219 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3CNC(=O)N3 MCULE-1721372163 [0,1,0,1,0,0|1,0,0]=3 220 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3COC(=O)N3 MCULE-5378371302 [0,1,0,1,0,0|2,0,0]=4 221 B19R3.2469383 O=C1CC(C(=O)N1)C2=CNC3=C2C=C(C=C3)F MCULE-9357333601 [0,1,0,1,0,0|1,0,1]=4 222 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 MCULE-1503677397 [1,0,0,0,1,0|0,0,2]=4 223 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [1,0,0,0,1,0|0,0,0]=2 224 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-3225504435 [1,0,0,0,1,0|1,0,1]=4 225 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [1,0,0,0,1,0|1,0,0]=3 226 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [1,0,0,0,1,0|2,0,0]=4 227 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [1,0,0,0,1,0|1,0,0]=3 228 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [1,0,0,0,1,0|2,0,0]=4 229 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [1,0,0,0,1,0|1,0,0]=3 230 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [1,0,0,0,1,0|2,0,0]=4 231 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [1,0,0,0,1,0|2,0,0]=4 232 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [1,0,0,0,1,0|2,0,0]=4 233 B15R2.9410 CC(=O)CC1=CNC2=CC=C(C=C12)Cl MCULE-9615898504 [0,0,0,0,2,0|1,0,0]=3 234 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(C=C2)C MCULE-7721591080 [0,0,0,0,2,0|2,0,0]=4 235 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(C=C2)F MCULE-1401178134 [0,0,0,0,2,0|2,0,0]=4 236 B15R2.9410 CC(=O)OC1=CNC2=CC=C(C=C12)Br MCULE-4252530481 [0,0,0,0,2,0|2,0,0]=4 237 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O MCULE-7600122348 [0,0,0,0,2,0|1,0,1]=4 238 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O MCULE-7768148728 [0,0,0,0,2,0|1,0,1]=4 239 B15R2.9410 CC(N)CC1=CNC2=CC=C(C=C12)O MCULE-2734017010 [0,0,0,0,2,0|1,0,1]=4 240 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-9176085989 [0,0,0,0,2,0|2,0,0]=4 241 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-1757765395 [0,0,0,0,2,0|2,0,0]=4 242 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-2319511262 [0,0,0,0,2,0|1,0,1]=4 243 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-5638747243 [0,0,0,0,2,0|1,0,1]=4 244 B15R2.9410 NC(=O)CC1=CNC2=C1C=C(C=C2)Br MCULE-9805573352 [0,0,0,0,2,0|2,0,0]=4 245 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Br MCULE-7197362248 [0,0,0,0,2,0|2,0,0]=4 246 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl MCULE-6310723285 [0,0,0,0,2,0|2,0,0]=4 247 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)F MCULE-2430731854 [0,0,0,0,2,0|2,0,0]=4 248 B15R2.9410 O=C(O)CC1=CNC2=CC=C(C=C12)O MCULE-5193831459 [0,0,0,0,2,0|1,0,0]=3 249 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)O MCULE-5879500600 [0,0,0,0,2,0|2,0,0]=4 250 B15R2.9410 O=C([O-])CC1=CNC2=C1C=C(C=C2)O MCULE-2088824557 [0,0,0,0,2,0|1,0,0]=3 251 B17R2.137 NC(=O)CCSCC1=CNC2=CC=CC=C12 MCULE-1693128182 [1,0,0,0,0,1|2,0,0]=4 252 B17R2.137 O=C(O)CCCCC1=CNC2=C1C=CC=C2 MCULE-5436372444 [1,0,0,0,0,1|2,0,0]=4 253 B17R2.137 O=C(O)CCCSC1=CNC2=C1C=CC=C2 MCULE-1812397387 [1,0,0,0,0,1|2,0,0]=4 254 B17R2.137 O=C(O)CCSCC1=CNC2=CC=CC=C12 MCULE-7956059624 [1,0,0,0,0,1|2,0,0]=4 255 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 MCULE-6018618045 [1,0,0,0,0,1|1,0,0]=3 256 B19R2.48704 CC(=O)NCCNC1=NC=NC2=CC=C(C=C12)Br MCULE-9075705767 [0,0,0,0,0,2|1,0,1]=4 257 B19R2.48704 CC(=O)NCCNC1=NC=NC2=CC=C(C=C12)C MCULE-5846022888 [0,0,0,0,0,2|1,0,1]=4