0 B11R1.172 CC(=O)CSCC1=CC=CO1 MCULE-8946739392 [0,0,0,0,0,0|2,1,0]=3 1 B11R1.172 CC(=O)NCCC1=CNC=N1 MCULE-3461315237 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.172 CC(=O)NCCC1=CNC=N1 MCULE-3699220753 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.172 CC(=O)NCCC1=COC=C1 MCULE-5271070237 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.172 CC(=O)NCCN1C=CC=C1 MCULE-6625621153 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.172 CC(=O)NCCN1C=CC=N1 MCULE-9282244427 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.172 CC(C)CNCC1=CC=CS1 MCULE-3739473002 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.172 CC(C)CNCC1=CC=CS1 MCULE-4859384229 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.172 CC(O)CC#CC1=CC=CS1 MCULE-1813179397 [0,0,0,0,0,0|1,0,3]=4 9 B11R1.172 CC(O)CNCC1=CC=CO1 MCULE-5288259040 [0,0,0,0,0,0|2,1,1]=4 10 B11R1.172 CC(O)CNCC1=NC=CS1 MCULE-2526482618 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.172 CC(O)CNCC1=NC=CS1 MCULE-9134798166 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.172 N=C(N)NCCC1=CC=CS1 MCULE-3348293064 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.172 NC(=O)N/N=C/C1=CC=CS1 MCULE-4162505163 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.172 NC(=O)NCCC1=CC=CS1 MCULE-3023710976 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.172 NC(=O)NN=CC1=CC=CS1 MCULE-9292091464 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.172 NC(=S)NCCC1=CC=CS1 MCULE-3516975011 [0,0,0,0,0,0|2,1,0]=3 17 B11R1.172 O=C(O)CCCC1=CC=CS1 MCULE-2208395467 [0,0,0,0,0,0|0,0,0]=0 18 B11R1.172 O=C(O)CCCC1=CNC=C1 MCULE-4973184677 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.172 O=C(O)CCCC1=CNN=C1 MCULE-7980026315 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.172 O=C(O)CCCC1=CNN=N1 MCULE-7548130322 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.172 O=C(O)CCCC1=CNN=N1 MCULE-8015678285 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.172 O=C(O)CCCC1=CSC=C1 MCULE-7269389456 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.172 O=C(O)CCCC1=NC=CS1 MCULE-4740417622 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.172 O=C(O)CCCC1=NN=NN1 MCULE-7596772933 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.172 O=C(O)CCCC1CCSS1 MCULE-1919221477 [0,0,0,0,0,0|1,0,3]=4 26 B11R1.172 O=C(O)CCCN1C=CC=C1 MCULE-6376119109 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.172 O=C(O)CCCN1C=CC=N1 MCULE-6299075182 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.172 O=C(O)CCCN1C=CN=C1 MCULE-6680198252 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.172 O=C(O)CCCN1C=CN=C1 MCULE-9758855479 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.172 O=C(O)CCCN1C=CN=N1 MCULE-6052897158 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.172 O=C(O)CCCN1C=NC=N1 MCULE-1527903167 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.172 O=C(O)CCCN1C=NC=N1 MCULE-5051326702 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.172 O=C(O)CCCN1C=NN=N1 MCULE-2788691444 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.172 O=C(O)CCNC1=NC=CS1 MCULE-9400156266 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.172 O=C(O)CCSC1=CC=CS1 MCULE-5358677561 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.172 O=C(O)CCSC1=NN=CN1 MCULE-1245155688 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.172 O=C(O)CNCC1=CC=CO1 MCULE-3294949215 [0,0,0,0,0,0|1,1,0]=2 38 B11R1.172 O=C(O)CNCC1=CN=CS1 MCULE-2451110741 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.172 O=C(O)CNCC1=CSC=C1 MCULE-8463113169 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.172 O=C(O)COCC1=CC=CO1 MCULE-2722649918 [0,0,0,0,0,0|1,1,0]=2 41 B11R1.172 O=C(O)CSCC1=CC=CO1 MCULE-2797657778 [0,0,0,0,0,0|1,1,0]=2 42 B11R1.172 O=C(O)CSCC1=CC=CS1 MCULE-8336860516 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.172 O=C(O)CSCC1=CSC=C1 MCULE-2925169500 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.172 O=C(O)CSCC1=CSC=N1 MCULE-9430988131 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.172 O=C(O)CSCC1=NC=CN1 MCULE-2957999026 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.172 O=C(O)CSCC1=NC=CN1 MCULE-9921381731 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.172 O=C([O-])CCCC1=NC=CS1 MCULE-6427120144 [0,0,0,0,0,0|1,0,1]=2 48 B11R1.172 O=C([O-])COCC1=CC=CO1 MCULE-3260300210 [0,0,0,0,0,0|1,1,1]=3 49 B10R1.21 C=CCCCC1=CSC=C1 MCULE-4980322337 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.21 C=CCNCC1=CC=CO1 MCULE-1593541007 [1,0,0,0,0,0|2,1,0]=4 51 B10R1.21 C=CCNCC1=CC=CO1 MCULE-7137690637 [1,0,0,0,0,0|2,1,0]=4 52 B10R1.21 C=CCNCC1=CC=CS1 MCULE-2144783126 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.21 C=CCNCC1=CC=CS1 MCULE-5406839326 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.21 CCCCCC1=CC=CO1 MCULE-7495475438 [1,0,0,0,0,0|1,1,1]=4 55 B10R1.21 CCCCCC1=CC=CS1 MCULE-5834588939 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.21 CCCNCC1=CC=CS1 MCULE-3096058382 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.21 CCCNCC1=CC=CS1 MCULE-3100460823 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.21 CCNCCC1=CC=CS1 MCULE-4670880624 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.21 CNCCCC1=CC=CO1 MCULE-7583228791 [1,0,0,0,0,0|2,1,0]=4 60 B10R1.21 CNCCCC1=CC=CS1 MCULE-3052431189 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.21 NCCCCC1=NC=CS1 MCULE-4863824889 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.21 NCCCCC1=NC=CS1 MCULE-9438206562 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.21 NOCCCC1=CC=CO1 MCULE-4699322175 [1,0,0,0,0,0|2,1,0]=4 64 B10R1.21 O=C=NCCC1=CC=CS1 MCULE-6738779068 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.21 OCCC#CC1=CC=CS1 MCULE-8289297567 [1,0,0,0,0,0|0,0,3]=4 66 B10R1.21 OCCCCC1=NC=CS1 MCULE-8163702533 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.21 OCCCCN1C=CC=N1 MCULE-7425269449 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.21 OCCNCC1=CC=CO1 MCULE-4700580438 [1,0,0,0,0,0|1,1,1]=4 69 B10R1.21 OCCNCC1=CC=CO1 MCULE-9359067159 [1,0,0,0,0,0|1,1,1]=4 70 B10R1.21 OCCNCC1=CC=CS1 MCULE-9474953175 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.21 OCCNCC1=CN=CS1 MCULE-8895804031 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.21 OCCNCC1=NC=CS1 MCULE-3874461973 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.21 OCCNCC1=NC=CS1 MCULE-8783846646 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.21 OCCSCC1=NC=CS1 MCULE-3318738106 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.21 S=C=NCCC1=CC=CS1 MCULE-5905588362 [1,0,0,0,0,0|1,1,1]=4 76 B12R1.54 C(O)(CCN(C)C)C1=CC=CS1 MCULE-8825422468 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.54 CC(=O)CCC(=O)C1=CC=CO1 MCULE-6143224711 [0,1,0,0,0,0|1,1,1]=4 78 B12R1.54 CC(=O)CCC(=O)C1=CC=CS1 MCULE-7592855571 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.54 CC(=O)OCC(=O)C1=CC=CS1 MCULE-1281602021 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.54 CC(C)CC[C@@H](N)C1=CC=CS1 MCULE-5533122436 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.54 CC(C)CC[C@@H](N)C1=CC=CS1 MCULE-9079383465 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.54 CC(C)CC[C@H](N)C1=CC=CS1 MCULE-2389676315 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.54 CC(C)CC[C@H](N)C1=CC=CS1 MCULE-4982176799 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.54 CC(NCC(=O)O)C1=NC=CS1 MCULE-2414165072 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.54 CN(C)CCC(O)C1=CC=CS1 MCULE-1439509768 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.54 CN(C)CC[C@@H](O)C1=CC=CS1 MCULE-1814940869 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.54 CN(C)CC[C@@H](O)C1=CC=CS1 MCULE-2201884107 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.54 CN(C)CC[C@H](O)C1=CC=CS1 MCULE-3968419849 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.54 CN(C)CC[C@H](O)C1=CC=CS1 MCULE-4428161607 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.54 NC(=O)CNC(=O)C1=CC=CS1 MCULE-3802046303 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.54 O=C(O)C=CC(=O)C1=CC=CS1 MCULE-2390407235 [0,1,0,0,0,0|0,0,3]=4 92 B12R1.54 O=C(O)CCC(=O)C1=CC=CN1 MCULE-3986180053 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 MCULE-3985171621 [0,1,0,0,0,0|0,1,1]=3 94 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 MCULE-2553050182 [0,1,0,0,0,0|0,0,1]=2 95 B12R1.54 O=C(O)CCC(=O)C1=CSC=C1 MCULE-3124745479 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.54 O=C(O)CNC(=O)C1=CC=CN1 MCULE-6005756608 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 MCULE-2987926118 [0,1,0,0,0,0|1,1,1]=4 98 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 MCULE-8788482015 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.105 CC1=CC(=NO1)COCC(=O)O MCULE-6510619416 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.105 CC1=CC(=NO1)CSCC(=O)O MCULE-7409336877 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.105 CC1=CC(=NO1)NCCC(=O)O MCULE-8771631045 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.105 CC1=CC=C(S1)CCCC(=O)O MCULE-2229049518 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.105 CC1=CC=C(S1)CNCC(C)O MCULE-2648543721 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.105 CC1=CC=C(S1)CNCC(C)O MCULE-7319831122 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.105 CC1=CN(N=C1)CCCC(=O)O MCULE-9687961819 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.105 CC1=CN(N=C1)CSCC(=O)O MCULE-7293238329 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.105 CC1=CN=C(O1)CCCC(=O)O MCULE-7779592380 [0,1,0,0,0,0|1,1,0]=3 108 B12R1.105 CC1=CN=C(O1)COCC(=O)O MCULE-2883635869 [0,1,0,0,0,0|2,1,0]=4 109 B12R1.105 CC1=CSC(=N1)CCCC(=O)O MCULE-7595237288 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.105 CC1=CSC(=N1)CCCC(=O)[O-] MCULE-6082384446 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.105 CC1=CSC(=N1)CCNC(=O)N MCULE-4553013813 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.105 CC1=NC(=CS1)CCCC(=O)O MCULE-2556461965 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.105 CC1=NC(=CS1)CSCC(=O)O MCULE-7890464175 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.105 CC1=NN(C=C1)CCCC(=O)O MCULE-5505065995 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.105 CC1=NN=C(S1)COCC(=O)O MCULE-7287285197 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.105 CC1=NN=C(S1)SCCC(=O)O MCULE-1626108266 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.105 CC1=NOC(=C1)COCC(=O)O MCULE-6396081725 [0,1,0,0,0,0|2,1,0]=4 118 B12R1.105 CC1=NOC(=N1)CCCC(=O)O MCULE-4894614546 [0,1,0,0,0,0|2,1,0]=4 119 B12R1.105 NC(=O)CCCN1C=C(C=N1)N MCULE-2780853543 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.105 NC1=CN(N=C1)CCCC(=O)O MCULE-7232861153 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.105 NC1=NC(=CS1)CCCC(=O)O MCULE-6370106240 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.105 NC1=NC(=CS1)CSCC(=O)O MCULE-5470159458 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.105 NC1=NN(C=C1)CCCC(=O)O MCULE-5614933981 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.105 NC1=NN(C=N1)CCCC(=O)O MCULE-8650369384 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.105 NC1=NN=C(S1)SCCC(=O)O MCULE-6935872970 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.105 O=C(O)CCCC1=CC=C(S1)Br MCULE-3402991331 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.105 O=C(O)CCCN1C=C(C=N1)Br MCULE-4390604692 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.105 O=C(O)CCCN1C=C(C=N1)Cl MCULE-8842997869 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.105 O=C(O)CCCN1C=C(C=N1)F MCULE-2533293624 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.105 O=C(O)CCCN1C=C(C=N1)I MCULE-5002622167 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.105 O=C(O)CCCN1C=CC(=N1)F MCULE-5284784514 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.105 O=C(O)CCCN1C=NC(=N1)Cl MCULE-1261603022 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.105 O=C(O)CCNC1=NC(=O)CS1 MCULE-4771719354 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.105 O=C(O)CCSC1=NN=C(S1)S MCULE-7811132684 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.105 O=C(O)CNCC1=CN=C(S1)Cl MCULE-2187969112 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.105 O=C(O)CSCC1=CC=C(S1)Cl MCULE-8298956545 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.105 O=C(O)CSCN1C=C(C=N1)Br MCULE-2783610241 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.105 O=C(O)CSCN1C=C(C=N1)Cl MCULE-1956098754 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.130 CC(=O)OCCC1=C(N=CS1)C MCULE-5764660258 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.130 CC1=C(NC=N1)CSCC(=O)O MCULE-6456256412 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.130 CC1=C(SC=C1)CCCC(=O)O MCULE-1445955738 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.130 CC1=C(SC=C1)CNCC(=O)O MCULE-1031981665 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.130 CC1=C(SC=C1)CNCC(C)O MCULE-2000645731 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.130 CC1=C(SC=C1)CNCC(C)O MCULE-3517003007 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.130 CC1=C(SC=C1)C[NH2+]CC(C)O MCULE-3871334265 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.130 CC1=CC=NN1CCCC(=O)O MCULE-3461265187 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.130 CC1=NC=CN1CCCC(=O)O MCULE-3818223944 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.130 CC1=NC=CN1CCCC(=O)O MCULE-6624554755 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.130 CN1C=CN=C1COCC(=O)O MCULE-9387573048 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.130 CN1C=CN=C1SCCC(=O)O MCULE-7347013980 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.130 CN1N=CC=C1COCC(=O)O MCULE-6488042321 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.130 NC1=C(SC=C1)CCCC(=O)O MCULE-3797276135 [0,1,0,0,0,0|0,0,0]=1 153 B12R1.130 NC1=C(SC=C1)CCCC(=O)O MCULE-5452452225 [0,1,0,0,0,0|0,0,0]=1 154 B12R1.130 O=C(O)CCCN1N=CN=C1Br MCULE-6395214561 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.130 O=C(O)CCCN1N=CN=C1Cl MCULE-8903680420 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.260 CC(CC(=O)O)SC1=CC=CS1 MCULE-2533398337 [0,1,0,0,0,0|1,0,0]=2 157 B12R1.260 CN(CC(=O)O)CC1=CC=CO1 MCULE-1468459956 [0,1,0,0,0,0|1,1,0]=3 158 B12R1.260 CN(CC(=O)O)CC1=CC=CS1 MCULE-5304662926 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.260 CN(CC(=O)O)CC1=CC=CS1 MCULE-9524004401 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.260 CN(CC(=O)O)CC1=CN=CS1 MCULE-4344396964 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.260 CN(CC(=O)O)CC1=CSC=C1 MCULE-8676279352 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.260 C[C@@H](CC(=O)O)SC1=CC=CS1 MCULE-7549637938 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.260 NC(CC(=O)O)CC1=CC=CO1 MCULE-4305476704 [0,1,0,0,0,0|0,1,0]=2 164 B12R1.260 NC(CC(=O)O)CC1=CC=CS1 MCULE-1845608833 [0,1,0,0,0,0|0,0,0]=1 165 B12R1.260 NC(CC(=O)O)CC1=CC=CS1 MCULE-9790060982 [0,1,0,0,0,0|0,0,0]=1 166 B12R1.260 NC(CC(=O)O)CC1=CSC=C1 MCULE-2015108408 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.260 NC(CC(=O)O)CC1=CSC=C1 MCULE-3927224923 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CO1 MCULE-2795775303 [0,1,0,0,0,0|0,1,0]=2 169 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-1088707523 [0,1,0,0,0,0|0,0,0]=1 170 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-3654310109 [0,1,0,0,0,0|0,0,0]=1 171 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-8289125524 [0,1,0,0,0,0|0,0,0]=1 172 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-8671246375 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-2108707344 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-3736456892 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-4800211250 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-5605183606 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-3040009628 [0,1,0,0,0,0|0,1,0]=2 178 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-6537016762 [0,1,0,0,0,0|0,1,0]=2 179 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-7106321565 [0,1,0,0,0,0|0,1,0]=2 180 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-1090315375 [0,1,0,0,0,0|0,0,0]=1 181 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-1963711592 [0,1,0,0,0,0|0,0,0]=1 182 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-2441525494 [0,1,0,0,0,0|0,0,0]=1 183 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-5323841763 [0,1,0,0,0,0|0,0,0]=1 184 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-1375949973 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-1481519275 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-1711849337 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-6560082822 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.260 O=C(O)CC(=O)NC1=NC=CS1 MCULE-3535381925 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 MCULE-1088686925 [0,1,0,0,0,0|1,1,0]=3 190 B12R1.264 CC(CCC1=CC=CS1)C(=O)O MCULE-3548866690 [0,1,0,0,0,0|0,0,0]=1 191 B12R1.264 CC(SCC1=CC=CO1)C(=O)O MCULE-4549363559 [0,1,0,0,0,0|1,1,0]=3 192 B12R1.264 NC(CSC1=CC=CS1)C(=O)O MCULE-1034881546 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.264 NC(CSC1=NC=CS1)C(=O)O MCULE-4673937684 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.264 O=C(O)C(=O)C=CC1=CC=CS1 MCULE-3493980124 [0,1,0,0,0,0|0,0,3]=4 195 B12R1.477 C=CC(=O)NCCC1=CC=CS1 MCULE-7544025615 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.477 CCC(=O)CCCN1C=CC=N1 MCULE-1221093982 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.477 COC(=O)CCCC1=CC=CS1 MCULE-3161147946 [0,1,0,0,0,0|0,0,0]=1 198 B12R1.477 COC(=O)CCCC1=NC=CS1 MCULE-7553542444 [0,1,0,0,0,0|1,0,0]=2 199 B12R1.477 COC(=O)CCCN1N=CC=N1 MCULE-5286222353 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.477 COC(=O)CNCC1=CC=CO1 MCULE-5205560770 [0,1,0,0,0,0|1,1,0]=3 201 B12R1.477 COC(=O)CSCC1=CC=CO1 MCULE-9164054977 [0,1,0,0,0,0|1,1,0]=3 202 B12R1.477 COC(=O)CSCC1=CC=CS1 MCULE-6068594204 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.477 COC(=O)NN=CC1=CC=CS1 MCULE-1026700904 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.477 N/C(=N\O)/CSCC1=CC=CO1 MCULE-1983290072 [0,1,0,0,0,0|2,1,0]=4 205 B12R1.477 NNC(=O)CCCC1=CC=CS1 MCULE-7289682462 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.477 NNC(=O)NCCC1=CC=CS1 MCULE-5698648357 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.477 NNC(=S)NCCC1=CC=CS1 MCULE-2989212528 [0,1,0,0,0,0|2,1,0]=4 208 B12R1.477 O=C(CCl)NCCC1=CC=CS1 MCULE-2813118658 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.477 O=C(CO)NN=CC1=CC=CS1 MCULE-4967472019 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.890 CS(=O)(=O)OCCC1=CC=CS1 MCULE-5499030541 [0,1,0,0,0,0|2,0,1]=4 211 B10R0.3 O=C(O)CCNC(=O)C=CCl MCULE-6188251782 [0,0,1,0,0,0|2,1,0]=4 212 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [0,0,1,0,0,0|1,0,2]=4 213 B12R2.6 O=C1CC(CN1)C2=CC=CO2 MCULE-9948286775 [0,0,0,1,0,0|2,1,0]=4 214 B12R2.6 O=C1CC(CN1)C2=CC=CS2 MCULE-2883901120 [0,0,0,1,0,0|2,0,0]=3 215 B12R2.6 O=C1CSC(C1)C2=CC=CS2 MCULE-8397491354 [0,0,0,1,0,0|2,0,0]=3 216 B12R2.6 O=C1CSC(N1)C2=CC=CO2 MCULE-6000207609 [0,0,0,1,0,0|2,1,0]=4 217 B12R2.6 O=C1CSC(N1)C2=CC=CS2 MCULE-9348962979 [0,0,0,1,0,0|2,0,0]=3 218 B12R2.6 O=C1NC(CO1)C2=CC=CS2 MCULE-3820219614 [0,0,0,1,0,0|2,0,0]=3 219 B12R2.6 O=C1NCC(O1)C2=CC=CS2 MCULE-5333399162 [0,0,0,1,0,0|1,0,0]=2 220 B12R2.6 O=C1NC[C@@H](N1)C2=CC=CN2 MCULE-4656542555 [0,0,0,1,0,0|3,0,0]=4 221 B12R2.6 O=C1NC[C@@H](N1)C2=CC=CO2 MCULE-9502653425 [0,0,0,1,0,0|2,1,0]=4 222 B12R2.6 O=C1NC[C@@H](N1)C2=CC=CS2 MCULE-7441030979 [0,0,0,1,0,0|2,0,0]=3 223 B12R2.6 O=C1NC[C@H](N1)C2=CC=CN2 MCULE-2888169183 [0,0,0,1,0,0|3,0,0]=4 224 B12R2.6 O=C1NC[C@H](N1)C2=CC=CO2 MCULE-9527963184 [0,0,0,1,0,0|2,1,0]=4 225 B12R2.6 O=C1NC[C@H](N1)C2=CC=CS2 MCULE-1596873340 [0,0,0,1,0,0|2,0,0]=3 226 B12R2.6 O=C1NN=C(O1)C2=CC=CS2 MCULE-9371309836 [0,0,0,1,0,0|2,0,1]=4 227 B12R2.6 O=C1N[C@@H](CO1)C2=CC=CN2 MCULE-7540212838 [0,0,0,1,0,0|3,0,0]=4 228 B12R2.6 O=C1N[C@@H](CO1)C2=CC=CO2 MCULE-7281099050 [0,0,0,1,0,0|2,1,0]=4 229 B12R2.6 O=C1N[C@@H](CO1)C2=CC=CS2 MCULE-1255447608 [0,0,0,1,0,0|2,0,0]=3 230 B12R2.6 O=C1N[C@H](CO1)C2=CC=CN2 MCULE-2195210224 [0,0,0,1,0,0|3,0,0]=4 231 B12R2.6 O=C1N[C@H](CO1)C2=CC=CO2 MCULE-8645453758 [0,0,0,1,0,0|2,1,0]=4 232 B12R2.6 O=C1N[C@H](CO1)C2=CC=CS2 MCULE-8480457290 [0,0,0,1,0,0|2,0,0]=3 233 B12R2.6 O=C1OC(=NS1)C2=CC=CS2 MCULE-8733354710 [0,0,0,1,0,0|2,0,1]=4 234 B12R2.114 O=C1CCCC2=C(C1)C=CS2 MCULE-7405320669 [0,0,0,1,0,0|1,0,0]=2 235 B12R2.114 O=C1CCCC2=C(N1)C=CS2 MCULE-1053498926 [0,0,0,1,0,0|1,0,0]=2 236 B12R2.1354 CC(=O)C1CC1C2=CC=CO2 MCULE-2239066013 [0,0,0,1,0,0|1,1,0]=3 237 B12R2.1354 CC(=O)C1CC1C2=CC=CS2 MCULE-7550767802 [0,0,0,1,0,0|1,0,0]=2 238 B12R2.1354 CC(=O)C1CC1C2=CSC=C2 MCULE-1580915755 [0,0,0,1,0,0|3,0,0]=4 239 B12R2.1354 CC(=O)[C@@H]1C[C@H]1C2=CC=CS2 MCULE-4200702765 [0,0,0,1,0,0|1,0,0]=2 240 B12R2.1354 CC(N)C1CC1C2=CC=CS2 MCULE-3269729688 [0,0,0,1,0,0|2,0,1]=4 241 B12R2.1354 CC(O)C1CC1C2=CC=CO2 MCULE-6844299235 [0,0,0,1,0,0|1,1,1]=4 242 B12R2.1354 CC(O)C1CC1C2=CC=CS2 MCULE-5857108631 [0,0,0,1,0,0|1,0,1]=3 243 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 MCULE-6611007978 [0,0,0,1,0,0|0,1,0]=2 244 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 MCULE-6134860704 [0,0,0,1,0,0|0,0,0]=1 245 B12R2.1354 O=C(O)C1CC1C2=CSC=C2 MCULE-2425985743 [0,0,0,1,0,0|2,0,0]=3 246 B12R2.1354 O=C(O)C1CC1C2=NN=CN2 MCULE-6259281330 [0,0,0,1,0,0|3,0,0]=4 247 B12R2.1354 O=C(O)C1CC1C2=NNC=C2 MCULE-4672099110 [0,0,0,1,0,0|2,0,0]=3 248 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CC=CS2 MCULE-8767987097 [0,0,0,1,0,0|0,0,0]=1 249 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 MCULE-3430818972 [0,0,0,1,0,0|2,0,0]=3 250 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 MCULE-6157324496 [0,0,0,1,0,0|2,0,0]=3 251 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CSC=C2 MCULE-1268110497 [0,0,0,1,0,0|2,0,0]=3 252 B12R2.1362 NC(=O)C1CCC2=NC=CN12 MCULE-7166602149 [0,0,0,1,0,0|3,0,0]=4 253 B12R2.1362 O=C(O)C1CCC2=C1NN=C2 MCULE-4418431631 [0,0,0,1,0,0|3,0,0]=4 254 B12R2.1362 O=C(O)C1CCC2=C1NN=C2 MCULE-6289559293 [0,0,0,1,0,0|3,0,0]=4 255 B12R2.1362 O=C(O)C1CCN2C1=CN=C2 MCULE-6919381978 [0,0,0,1,0,0|3,0,0]=4 256 B12R2.1661 O=C(O)CC1CC2C=CC1C2 MCULE-3022902616 [0,0,0,1,0,0|1,0,2]=4 257 B12R2.1661 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 MCULE-2911613762 [0,0,0,1,0,0|1,0,2]=4 258 B12R2.1661 [C@@H]12C=C[C@@H](C1)[C@@H](C2)CC(=O)O MCULE-1861105570 [0,0,0,1,0,0|1,0,2]=4 259 B12R2.2383 C1=CSC(=C1)COCC2CO2 MCULE-7153724441 [0,0,0,1,0,0|2,0,1]=4 260 B10R1.66 CC(=O)/C=C/C1=CC=CS1 MCULE-9668699729 [0,0,0,0,1,0|1,0,2]=4 261 B10R1.66 CC(=O)C=CC1=CC=CS1 MCULE-4792487998 [0,0,0,0,1,0|1,0,2]=4 262 B10R1.66 CC(=O)CCC1=CC=CO1 MCULE-2101099047 [0,0,0,0,1,0|1,1,0]=3 263 B10R1.66 CC(=O)CCC1=CSC=C1 MCULE-1818012086 [0,0,0,0,1,0|3,0,0]=4 264 B10R1.66 CC(=O)CCC1=NC=CS1 MCULE-2524666506 [0,0,0,0,1,0|2,0,0]=3 265 B10R1.66 CC(=O)CCN1C=CC=N1 MCULE-7966519689 [0,0,0,0,1,0|3,0,0]=4 266 B10R1.66 CC(=O)CSC1=CC=CS1 MCULE-1447269840 [0,0,0,0,1,0|2,0,0]=3 267 B10R1.66 CC(=O)NCC1=CC=CO1 MCULE-3515662037 [0,0,0,0,1,0|2,1,0]=4 268 B10R1.66 CC(=O)NCC1=CC=CS1 MCULE-9977095360 [0,0,0,0,1,0|2,0,0]=3 269 B10R1.66 CC(=O)OCC1=CC=CO1 MCULE-8997160416 [0,0,0,0,1,0|2,1,0]=4 270 B10R1.66 CC(=O)SCC1=CC=CO1 MCULE-2013313658 [0,0,0,0,1,0|2,1,0]=4 271 B10R1.66 CC(N)CCC1=CC=CS1 MCULE-9948064307 [0,0,0,0,1,0|2,0,1]=4 272 B10R1.66 N=C(N)CCC1=CC=CO1 MCULE-4674401212 [0,0,0,0,1,0|2,1,0]=4 273 B10R1.66 N=C(N)CCC1=CC=CO1 MCULE-8321587302 [0,0,0,0,1,0|2,1,0]=4 274 B10R1.66 N=C(N)SCC1=CC=CS1 MCULE-6003432020 [0,0,0,0,1,0|3,0,0]=4 275 B10R1.66 N=C(N)SCC1=CC=CS1 MCULE-9109938865 [0,0,0,0,1,0|3,0,0]=4 276 B10R1.66 NC(=O)/C=C/C1=CC=CS1 MCULE-2550089532 [0,0,0,0,1,0|1,0,2]=4 277 B10R1.66 NC(=O)C=CC1=CC=CS1 MCULE-4715280412 [0,0,0,0,1,0|1,0,2]=4 278 B10R1.66 NC(=O)CCN1C=CC=N1 MCULE-1939400196 [0,0,0,0,1,0|3,0,0]=4 279 B10R1.66 NC(=O)NCC1=CC=CO1 MCULE-8058725801 [0,0,0,0,1,0|2,1,0]=4 280 B10R1.66 NC(=O)NCC1=CC=CS1 MCULE-1971855222 [0,0,0,0,1,0|2,0,0]=3 281 B10R1.66 NC(=O)NCC1=NC=CS1 MCULE-3816919635 [0,0,0,0,1,0|3,0,0]=4 282 B10R1.66 NC(=S)NCC1=CC=CS1 MCULE-7007297451 [0,0,0,0,1,0|2,1,0]=4 283 B10R1.66 O=C(Cl)/C=C/C1=CC=CS1 MCULE-4325709525 [0,0,0,0,1,0|1,0,2]=4 284 B10R1.66 O=C(Cl)C=CC1=CC=CS1 MCULE-4244086123 [0,0,0,0,1,0|1,0,2]=4 285 B10R1.66 O=C(Cl)CCC1=CC=CS1 MCULE-7371256050 [0,0,0,0,1,0|1,0,0]=2 286 B10R1.66 O=C(O)/C=C/C1=CC=CO1 MCULE-1000282553 [0,0,0,0,1,0|0,1,2]=4 287 B10R1.66 O=C(O)/C=C/C1=CC=CS1 MCULE-7724588931 [0,0,0,0,1,0|0,0,2]=3 288 B10R1.66 O=C(O)/C=C/C1=CN=CS1 MCULE-7572472922 [0,0,0,0,1,0|1,0,2]=4 289 B10R1.66 O=C(O)/C=C/C1=NC=CS1 MCULE-7172278941 [0,0,0,0,1,0|1,0,2]=4 290 B10R1.66 O=C(O)C#CC1=CC=CO1 MCULE-9618528259 [0,0,0,0,1,0|0,1,2]=4 291 B10R1.66 O=C(O)C#CC1=CC=CS1 MCULE-6435823452 [0,0,0,0,1,0|0,0,2]=3 292 B10R1.66 O=C(O)C=CC1=CC=CN1 MCULE-5460570885 [0,0,0,0,1,0|1,0,2]=4 293 B10R1.66 O=C(O)C=CC1=CC=CO1 MCULE-8349779970 [0,0,0,0,1,0|0,1,2]=4 294 B10R1.66 O=C(O)C=CC1=CC=CS1 MCULE-8401835373 [0,0,0,0,1,0|0,0,2]=3 295 B10R1.66 O=C(O)C=CC1=CN=CS1 MCULE-7641560153 [0,0,0,0,1,0|1,0,2]=4 296 B10R1.66 O=C(O)C=CC1=NC=CS1 MCULE-2894674051 [0,0,0,0,1,0|1,0,2]=4 297 B10R1.66 O=C(O)CCC1=CC=CN1 MCULE-8495580718 [0,0,0,0,1,0|1,0,0]=2 298 B10R1.66 O=C(O)CCC1=CC=CO1 MCULE-3535606082 [0,0,0,0,1,0|0,1,0]=2 299 B10R1.66 O=C(O)CCC1=CC=CS1 MCULE-3548538547 [0,0,0,0,1,0|0,0,0]=1 300 B10R1.66 O=C(O)CCC1=CC=NO1 MCULE-2698728972 [0,0,0,0,1,0|1,1,0]=3 301 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-2668820713 [0,0,0,0,1,0|1,0,0]=2 302 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-7272215073 [0,0,0,0,1,0|1,0,0]=2 303 B10R1.66 O=C(O)CCC1=CNC=C1 MCULE-9116858435 [0,0,0,0,1,0|2,0,0]=3 304 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-3618491840 [0,0,0,0,1,0|2,0,0]=3 305 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-8133590347 [0,0,0,0,1,0|2,0,0]=3 306 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-1705333891 [0,0,0,0,1,0|3,0,0]=4 307 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-4996856052 [0,0,0,0,1,0|3,0,0]=4 308 B10R1.66 O=C(O)CCC1=CNN=N1 MCULE-2306529453 [0,0,0,0,1,0|3,0,0]=4 309 B10R1.66 O=C(O)CCC1=CNN=N1 MCULE-3429425016 [0,0,0,0,1,0|3,0,0]=4 310 B10R1.66 O=C(O)CCC1=COC=C1 MCULE-6225332803 [0,0,0,0,1,0|2,0,0]=3 311 B10R1.66 O=C(O)CCC1=CON=C1 MCULE-7141916112 [0,0,0,0,1,0|3,0,0]=4 312 B10R1.66 O=C(O)CCC1=CSC=C1 MCULE-5919306548 [0,0,0,0,1,0|2,0,0]=3 313 B10R1.66 O=C(O)CCC1=CSC=N1 MCULE-3188158342 [0,0,0,0,1,0|2,0,0]=3 314 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8831721107 [0,0,0,0,1,0|2,0,0]=3 315 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8898977198 [0,0,0,0,1,0|2,0,0]=3 316 B10R1.66 O=C(O)CCC1=NC=CO1 MCULE-8621379865 [0,0,0,0,1,0|1,1,0]=3 317 B10R1.66 O=C(O)CCC1=NC=CS1 MCULE-2473180013 [0,0,0,0,1,0|1,0,0]=2 318 B10R1.66 O=C(O)CCC1=NN=CN1 MCULE-9236882970 [0,0,0,0,1,0|3,0,0]=4 319 B10R1.66 O=C(O)CCC1=NOC=C1 MCULE-7542127444 [0,0,0,0,1,0|2,0,0]=3 320 B10R1.66 O=C(O)CCN1C=CC=C1 MCULE-8640172862 [0,0,0,0,1,0|2,0,0]=3 321 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-3245420562 [0,0,0,0,1,0|2,0,0]=3 322 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-7345461411 [0,0,0,0,1,0|2,0,0]=3 323 B10R1.66 O=C(O)CCN1C=CN=C1 MCULE-9380136310 [0,0,0,0,1,0|3,0,0]=4 324 B10R1.66 O=C(O)CCN1C=CN=N1 MCULE-4035524586 [0,0,0,0,1,0|3,0,0]=4 325 B10R1.66 O=C(O)CCN1C=CN=N1 MCULE-9295640009 [0,0,0,0,1,0|3,0,0]=4 326 B10R1.66 O=C(O)CCN1C=C[NH+]=C1 MCULE-7376823159 [0,0,0,0,1,0|3,0,0]=4 327 B10R1.66 O=C(O)CCN1C=NC=N1 MCULE-5526368399 [0,0,0,0,1,0|3,0,0]=4 328 B10R1.66 O=C(O)CNC1=CSC=C1 MCULE-7792185653 [0,0,0,0,1,0|3,0,0]=4 329 B10R1.66 O=C(O)CNC1=NC=CS1 MCULE-8036465286 [0,0,0,0,1,0|2,0,0]=3 330 B10R1.66 O=C(O)CNC1=NNC=C1 MCULE-8140407014 [0,0,0,0,1,0|3,0,0]=4 331 B10R1.66 O=C(O)COC1=CSC=C1 MCULE-1973135166 [0,0,0,0,1,0|3,0,0]=4 332 B10R1.66 O=C(O)COC1=NOC=C1 MCULE-7331920513 [0,0,0,0,1,0|3,0,0]=4 333 B10R1.66 O=C(O)COC1=NSC=C1 MCULE-2321879288 [0,0,0,0,1,0|3,0,0]=4 334 B10R1.66 O=C(O)CSC1=CC=CS1 MCULE-4950567579 [0,0,0,0,1,0|1,0,0]=2 335 B10R1.66 O=C(O)CSC1=NC=CS1 MCULE-1071824456 [0,0,0,0,1,0|2,0,0]=3 336 B10R1.66 O=C(O)CSC1=NN=CS1 MCULE-1744708192 [0,0,0,0,1,0|3,0,0]=4 337 B10R1.66 O=N(=O)CCC1=CC=CO1 MCULE-6179704930 [0,0,0,0,1,0|1,1,1]=4 338 B10R1.66 O=P([O-])CCC1=CC=CO1 MCULE-6900012549 [0,0,0,0,1,0|1,1,1]=4 339 B10R1.66 O=P([O-])CCC1=CC=CO1 MCULE-7798677915 [0,0,0,0,1,0|1,1,1]=4 340 B10R1.66 S=C(S)NCC1=CC=CS1 MCULE-4526324543 [0,0,0,0,1,0|1,2,0]=4 341 B12R1.252 C=C(Br)CCCC1=CC=CC=C1 MCULE-9256726211 [0,0,0,0,0,1|3,0,0]=4 342 B12R1.252 C=C(C)CCCC1=CC=CC=C1 MCULE-1334491812 [0,0,0,0,0,1|3,0,0]=4 343 B12R1.252 C=C(Cl)CCCC1=CC=CC=C1 MCULE-7115429182 [0,0,0,0,0,1|3,0,0]=4 344 B12R1.252 CC(=O)CCCC1=CC=CC=C1 MCULE-2310771684 [0,0,0,0,0,1|2,0,0]=3 345 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-1269205900 [0,0,0,0,0,1|2,0,0]=3 346 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-8865358008 [0,0,0,0,0,1|2,0,0]=3 347 B12R1.252 CC(=O)CCCC1=CN=CC=C1 MCULE-4927787423 [0,0,0,0,0,1|2,0,0]=3 348 B12R1.252 CC(=O)CCSC1=CC=CC=C1 MCULE-5300990067 [0,0,0,0,0,1|3,0,0]=4 349 B12R1.252 CC(=O)CCSC1=CC=CC=N1 MCULE-1216484037 [0,0,0,0,0,1|3,0,0]=4 350 B12R1.252 CC(=O)CCSC1=[NH+]C=CC=N1 MCULE-3421792835 [0,0,0,0,0,1|3,0,0]=4 351 B12R1.252 CC(=O)CCSC1=[NH+]C=CC=N1 MCULE-6958369305 [0,0,0,0,0,1|3,0,0]=4 352 B12R1.252 CC(=O)COCC1=CC=CC=C1 MCULE-4274476993 [0,0,0,0,0,1|3,0,0]=4 353 B12R1.252 CC(=O)CSCC1=CC=CC=C1 MCULE-4925526123 [0,0,0,0,0,1|3,0,0]=4 354 B12R1.252 CC(=O)NCCC1=CC=CC=C1 MCULE-5686427771 [0,0,0,0,0,1|3,0,0]=4 355 B12R1.252 CC(=O)NCCC1=CC=NC=C1 MCULE-9746342115 [0,0,0,0,0,1|3,0,0]=4 356 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MCULE-2877884154 [0,0,0,0,0,1|3,0,0]=4 357 B12R1.252 CC(=O)SCCC1=CC=NC=C1 MCULE-4317238290 [0,0,0,0,0,1|3,0,0]=4 358 B12R1.252 CC(O)CCCC1=CC=NC=C1 MCULE-8758400827 [0,0,0,0,0,1|2,0,1]=4 359 B12R1.252 CC(O)CCCC1=CN=CC=C1 MCULE-7661324121 [0,0,0,0,0,1|2,0,1]=4 360 B12R1.252 N=C(N)CCCC1=CC=CC=C1 MCULE-1691158103 [0,0,0,0,0,1|3,0,0]=4 361 B12R1.252 N=C(N)CCCC1=CC=CC=C1 MCULE-8425972210 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.252 NC(=O)CCCC1=CC=CC=C1 MCULE-1491500210 [0,0,0,0,0,1|2,0,0]=3 363 B12R1.252 NC(=O)CCNC1=CC=CC=C1 MCULE-4122162754 [0,0,0,0,0,1|3,0,0]=4 364 B12R1.252 NC(=O)CCOC1=CC=CC=C1 MCULE-9532260813 [0,0,0,0,0,1|3,0,0]=4 365 B12R1.252 NC(=O)CNCC1=CC=CC=C1 MCULE-6930976713 [0,0,0,0,0,1|3,0,0]=4 366 B12R1.252 NC(=O)COCC1=CC=CC=C1 MCULE-2043276412 [0,0,0,0,0,1|3,0,0]=4 367 B12R1.252 NC(=O)CSCC1=CC=CC=C1 MCULE-6240151575 [0,0,0,0,0,1|3,0,0]=4 368 B12R1.252 NC(=O)NCCC1=CC=CC=C1 MCULE-2812694735 [0,0,0,0,0,1|3,0,0]=4 369 B12R1.252 NC(=O)NCCC1=NC=CC=C1 MCULE-1115159286 [0,0,0,0,0,1|3,0,0]=4 370 B12R1.252 NC(=S)CCCC1=CC=CC=C1 MCULE-1468346906 [0,0,0,0,0,1|2,1,0]=4 371 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 MCULE-6473558795 [0,0,0,0,0,1|2,0,0]=3 372 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 MCULE-5733419248 [0,0,0,0,0,1|3,0,0]=4 373 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 MCULE-5801667907 [0,0,0,0,0,1|3,0,0]=4 374 B12R1.252 O=C(Cl)OCCC1=CC=CC=C1 MCULE-3585566884 [0,0,0,0,0,1|3,0,0]=4 375 B12R1.252 O=C(O)C/C=C/C1=CC=CC=C1 MCULE-5944027373 [0,0,0,0,0,1|1,0,2]=4 376 B12R1.252 O=C(O)C=CCC1=CC=CC=C1 MCULE-5534408884 [0,0,0,0,0,1|1,0,2]=4 377 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 MCULE-2602661708 [0,0,0,0,0,1|1,0,2]=4 378 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 MCULE-4504838602 [0,0,0,0,0,1|1,0,2]=4 379 B12R1.252 O=C(O)CCCC1=CC=CC=C1 MCULE-6322732346 [0,0,0,0,0,1|1,0,0]=2 380 B12R1.252 O=C(O)CCCC1=CC=CC=N1 MCULE-8215039373 [0,0,0,0,0,1|1,0,0]=2 381 B12R1.252 O=C(O)CCCC1=CC=CN=C1 MCULE-6410810610 [0,0,0,0,0,1|1,0,0]=2 382 B12R1.252 O=C(O)CCCC1=CC=NC=C1 MCULE-4546370034 [0,0,0,0,0,1|1,0,0]=2 383 B12R1.252 O=C(O)CCCC1=CC=NC=C1 MCULE-8739058216 [0,0,0,0,0,1|1,0,0]=2 384 B12R1.252 O=C(O)CCCC1=CCC=CC1 MCULE-7532829438 [0,0,0,0,0,1|1,0,0]=2 385 B12R1.252 O=C(O)CCCC1=CN=CC=C1 MCULE-7663521567 [0,0,0,0,0,1|1,0,0]=2 386 B12R1.252 O=C(O)CCCC1=NC=CC=C1 MCULE-7143898162 [0,0,0,0,0,1|1,0,0]=2 387 B12R1.252 O=C(O)CCCC1=NC=CN=C1 MCULE-2539718357 [0,0,0,0,0,1|1,0,0]=2 388 B12R1.252 O=C(O)CCNC1=CC=CC=C1 MCULE-3569266068 [0,0,0,0,0,1|2,0,0]=3 389 B12R1.252 O=C(O)CCNC1=NC=CC=C1 MCULE-4522939150 [0,0,0,0,0,1|2,0,0]=3 390 B12R1.252 O=C(O)CCNC1=NC=CC=C1 MCULE-9700879062 [0,0,0,0,0,1|2,0,0]=3 391 B12R1.252 O=C(O)CCNC1=NC=CC=N1 MCULE-4241796415 [0,0,0,0,0,1|2,0,0]=3 392 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MCULE-4275468983 [0,0,0,0,0,1|2,0,0]=3 393 B12R1.252 O=C(O)CCOC1=CN=CC=C1 MCULE-1674086947 [0,0,0,0,0,1|2,0,0]=3 394 B12R1.252 O=C(O)CCSC1=CC=CC=C1 MCULE-5630558008 [0,0,0,0,0,1|2,0,0]=3 395 B12R1.252 O=C(O)CCSC1=NC=CC=C1 MCULE-5537797131 [0,0,0,0,0,1|2,0,0]=3 396 B12R1.252 O=C(O)CCSC1=NC=CC=N1 MCULE-9070638246 [0,0,0,0,0,1|2,0,0]=3 397 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 MCULE-5107484134 [0,0,0,0,0,1|2,0,0]=3 398 B12R1.252 O=C(O)CNCC1=CC=CC=C1 MCULE-6444716880 [0,0,0,0,0,1|2,0,0]=3 399 B12R1.252 O=C(O)CNCC1=CC=CC=C1 MCULE-9697304880 [0,0,0,0,0,1|2,0,0]=3 400 B12R1.252 O=C(O)CNCC1=CC=NC=C1 MCULE-8366348691 [0,0,0,0,0,1|2,0,0]=3 401 B12R1.252 O=C(O)CNCC1=CC=NC=C1 MCULE-9179755168 [0,0,0,0,0,1|2,0,0]=3 402 B12R1.252 O=C(O)CNCC1=CN=CC=C1 MCULE-1177119055 [0,0,0,0,0,1|2,0,0]=3 403 B12R1.252 O=C(O)CNCC1=CN=CC=C1 MCULE-1301219082 [0,0,0,0,0,1|2,0,0]=3 404 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MCULE-1384516500 [0,0,0,0,0,1|2,0,0]=3 405 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MCULE-7028735277 [0,0,0,0,0,1|2,0,0]=3 406 B12R1.252 O=C(O)CNCC1=NC=CN=C1 MCULE-1740822854 [0,0,0,0,0,1|2,0,0]=3 407 B12R1.252 O=C(O)COCC1=CC=CC=C1 MCULE-7716016814 [0,0,0,0,0,1|2,0,0]=3 408 B12R1.252 O=C(O)COCC1=CC=NC=C1 MCULE-1365429527 [0,0,0,0,0,1|2,0,0]=3 409 B12R1.252 O=C(O)COCC1=CN=CC=C1 MCULE-8341575448 [0,0,0,0,0,1|2,0,0]=3 410 B12R1.252 O=C(O)COCC1=NC=CC=C1 MCULE-2623120562 [0,0,0,0,0,1|2,0,0]=3 411 B12R1.252 O=C(O)COCC1=NC=CC=C1 MCULE-9421727381 [0,0,0,0,0,1|2,0,0]=3 412 B12R1.252 O=C(O)CSCC1=CC=CC=C1 MCULE-4184308941 [0,0,0,0,0,1|2,0,0]=3 413 B12R1.252 O=C(O)CSCC1=CC=NC=C1 MCULE-1014408883 [0,0,0,0,0,1|2,0,0]=3 414 B12R1.252 O=C(O)CSCC1=CN=CC=C1 MCULE-9319249639 [0,0,0,0,0,1|2,0,0]=3 415 B12R1.252 O=C(O)CSCC1=NC=CC=C1 MCULE-7368438673 [0,0,0,0,0,1|2,0,0]=3 416 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 MCULE-5819625540 [0,0,0,0,0,1|1,0,1]=3 417 B12R1.252 O=N(=O)CCCC1=CC=CC=C1 MCULE-2770204782 [0,0,0,0,0,1|2,0,1]=4 418 B12R1.252 OB(O)CCCC1=CC=CC=C1 MCULE-2154603458 [0,0,0,0,0,1|2,0,1]=4 419 B12R1.255 CC(C)CCNCC1=CC=CS1 MCULE-7323367008 [0,0,0,0,0,1|2,0,1]=4 420 B12R1.255 CC(C)CCNCC1=CC=CS1 MCULE-9040337171 [0,0,0,0,0,1|2,0,1]=4 421 B12R1.255 CN(C)CCNCC1=CC=CS1 MCULE-8475220719 [0,0,0,0,0,1|3,0,0]=4 422 B12R1.255 NC(=O)CCNCC1=CC=CO1 MCULE-2092426602 [0,0,0,0,0,1|1,1,0]=3 423 B12R1.255 NC(=O)CCNCC1=CC=CO1 MCULE-8839298113 [0,0,0,0,0,1|1,1,0]=3 424 B12R1.255 NC(=O)CCNCC1=CC=CS1 MCULE-6310668023 [0,0,0,0,0,1|1,0,0]=2 425 B12R1.255 O=C(Cl)CCCCC1=CC=CS1 MCULE-7163057705 [0,0,0,0,0,1|1,0,0]=2 426 B12R1.255 O=C(O)C=CSCC1=CC=CO1 MCULE-4132561770 [0,0,0,0,0,1|0,1,2]=4 427 B12R1.255 O=C(O)CCCCC1=CC=CS1 MCULE-4561100672 [0,0,0,0,0,1|0,0,0]=1 428 B12R1.255 O=C(O)CCCCC1=CN=CN1 MCULE-1874173081 [0,0,0,0,0,1|2,0,0]=3 429 B12R1.255 O=C(O)CCCCC1=CNN=N1 MCULE-8518878959 [0,0,0,0,0,1|3,0,0]=4 430 B12R1.255 O=C(O)CCCCC1=CSC=C1 MCULE-5631369759 [0,0,0,0,0,1|2,0,0]=3 431 B12R1.255 O=C(O)CCCCN1C=CC=C1 MCULE-2946274772 [0,0,0,0,0,1|2,0,0]=3 432 B12R1.255 O=C(O)CCCCN1C=CC=N1 MCULE-8113146950 [0,0,0,0,0,1|2,0,0]=3 433 B12R1.255 O=C(O)CCCCN1C=CN=C1 MCULE-3036552117 [0,0,0,0,0,1|3,0,0]=4 434 B12R1.255 O=C(O)CNCCC1=CC=CS1 MCULE-6677023130 [0,0,0,0,0,1|0,0,0]=1 435 B12R1.255 O=C(O)CNCCC1=CC=CS1 MCULE-8241589442 [0,0,0,0,0,1|0,0,0]=1 436 B12R1.255 O=C(O)COCCC1=CC=CS1 MCULE-1018324703 [0,0,0,0,0,1|0,0,0]=1 437 B12R1.255 O=C(O)CON=CC1=CC=CO1 MCULE-3611216709 [0,0,0,0,0,1|1,1,1]=4 438 B12R1.255 O=C(O)CSCCN1C=CC=N1 MCULE-3548142074 [0,0,0,0,0,1|2,0,0]=3 439 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [1,0,1,0,0,0|1,1,0]=4 440 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [1,0,1,0,0,0|0,0,2]=4 441 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [1,0,1,0,0,0|0,1,1]=4 442 B9R1.12 BrCCCC1=CC=CO1 MCULE-9152239637 [2,0,0,0,0,0|1,1,0]=4 443 B9R1.12 BrCCCC1=CC=CS1 MCULE-8473809288 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.12 BrCCSC1=CC=CS1 MCULE-5365294951 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.12 CCCCC1=CC=CO1 MCULE-3071851671 [2,0,0,0,0,0|0,1,1]=4 446 B9R1.12 CCCCC1=CC=CS1 MCULE-6497067465 [2,0,0,0,0,0|0,0,1]=3 447 B9R1.12 CCNCC1=CC=CS1 MCULE-3457295264 [2,0,0,0,0,0|1,0,1]=4 448 B9R1.12 CCNCC1=CC=CS1 MCULE-7815284555 [2,0,0,0,0,0|1,0,1]=4 449 B9R1.12 CNCCC1=CC=CS1 MCULE-3255812275 [2,0,0,0,0,0|1,0,1]=4 450 B9R1.12 CNCCC1=CC=CS1 MCULE-7158889063 [2,0,0,0,0,0|1,0,1]=4 451 B9R1.12 ICCCC1=CC=CS1 MCULE-4415945327 [2,0,0,0,0,0|1,0,0]=3 452 B9R1.12 N#CCCC1=CC=CS1 MCULE-6985631481 [2,0,0,0,0,0|1,0,1]=4 453 B9R1.12 NCCCC1=CC=CO1 MCULE-4394623871 [2,0,0,0,0,0|1,1,0]=4 454 B9R1.12 NCCCC1=CC=CO1 MCULE-5358450816 [2,0,0,0,0,0|1,1,0]=4 455 B9R1.12 NCCCC1=CC=CO1 MCULE-8968283783 [2,0,0,0,0,0|1,1,0]=4 456 B9R1.12 NCCCC1=CC=CS1 MCULE-9727379761 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.12 NCCCC1=NC=CS1 MCULE-7101455051 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.12 NCCCC1=NC=CS1 MCULE-7755969281 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.12 NCCSC1=CC=CS1 MCULE-7792409877 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.12 O=C=NCC1=CC=CS1 MCULE-8982331264 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.12 O=CCCC1=CSC=C1 MCULE-6196067591 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.12 O=CCCN1C=CC=N1 MCULE-4967326734 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.12 O=CNCC1=CC=CO1 MCULE-1492066833 [2,0,0,0,0,0|1,1,0]=4 464 B9R1.12 OCC#CC1=CC=CS1 MCULE-1571109511 [2,0,0,0,0,0|0,0,2]=4 465 B9R1.12 OCC=CC1=CC=CS1 MCULE-7126809926 [2,0,0,0,0,0|0,0,2]=4 466 B9R1.12 OCCCC1=CC=CO1 MCULE-9519443667 [2,0,0,0,0,0|0,1,0]=3 467 B9R1.12 OCCCC1=CC=CS1 MCULE-7758662539 [2,0,0,0,0,0|0,0,0]=2 468 B9R1.12 OCCCC1=CN=CS1 MCULE-9607601938 [2,0,0,0,0,0|1,0,0]=3 469 B9R1.12 OCCCC1=CNC=N1 MCULE-6446482745 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.12 OCCCC1=CNC=N1 MCULE-9100702074 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.12 OCCCC1=COC=C1 MCULE-9870600375 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.12 OCCCC1=CSC=C1 MCULE-5310936474 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.12 OCCCC1=CSC=N1 MCULE-9481219170 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.12 OCCCC1=NC=CN1 MCULE-2467358853 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.12 OCCCC1=NC=CN1 MCULE-5603111924 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.12 OCCCN1C=CC=C1 MCULE-1912219277 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.12 OCCCN1C=CC=N1 MCULE-3560458600 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.12 OCCNC1=NC=CS1 MCULE-6619759233 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.12 OCCSC1=CC=CS1 MCULE-7432462864 [2,0,0,0,0,0|1,0,0]=3 480 B11R0.147 C=CCCC(=O)CCCC(=O)O MCULE-5745610877 [0,1,1,0,0,0|0,1,1]=4 481 B11R0.147 C=CCNC(=O)CCCC(=O)O MCULE-3745239449 [0,1,1,0,0,0|0,1,1]=4 482 B11R0.176 CC=CC(=O)NCCCC(=O)O MCULE-8337980447 [0,1,1,0,0,0|2,0,0]=4 483 B11R1.4 C=CCNCCC1=CC=CO1 MCULE-1531879854 [1,1,0,0,0,0|1,1,0]=4 484 B11R1.4 CCCCCCC1=CC=CS1 MCULE-5502485047 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.4 CCCCNCC1=CC=CS1 MCULE-3004770636 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.4 CCCC[NH2+]CC1=CC=CS1 MCULE-8760111849 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.4 CCCNCCC1=CC=CS1 MCULE-2459770955 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.4 COCCNCC1=CC=CS1 MCULE-2244959013 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.4 COCCNCC1=CC=CS1 MCULE-9358695392 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.4 ClCCCCCC1=CC=CS1 MCULE-4733149040 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.4 N#CCCCCC1=CC=CS1 MCULE-4451182401 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.4 N#CCCNCC1=CC=CS1 MCULE-4063843338 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.4 OCCCC#CC1=CC=CS1 MCULE-9980874687 [1,1,0,0,0,0|0,0,2]=4 494 B11R1.4 OCCCN=CC1=CC=CS1 MCULE-5249589981 [1,1,0,0,0,0|0,0,2]=4 495 B11R1.4 OCCCNCC1=CC=CO1 MCULE-3788663074 [1,1,0,0,0,0|0,1,1]=4 496 B11R1.4 OCCCNCC1=CC=CS1 MCULE-2438781276 [1,1,0,0,0,0|0,0,1]=3 497 B11R1.4 OCCCNCC1=CC=CS1 MCULE-3212416548 [1,1,0,0,0,0|0,0,1]=3 498 B11R1.25 CNC(C)CCC1=CC=CS1 MCULE-9943467779 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.27 C=CCNCC1=CC=C(S1)C MCULE-5265352030 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.27 C=CCNCC1=CC=C(S1)C MCULE-8317581350 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.27 C=CCNCC1=CC=C(S1)Cl MCULE-1936600038 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.27 CC1=CC=C(S1)CNCCO MCULE-2623796433 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.27 CCCCCC1=CC=C(S1)Br MCULE-7557705843 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.27 NCCCCC1=CC=C(S1)Cl MCULE-1300696094 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.27 NCCCCC1=CC=C(S1)Cl MCULE-4293258621 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.27 OCCNCC1=CC(=CS1)Br MCULE-2080834656 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.27 OCCNCC1=CC(=CS1)Br MCULE-7688289525 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.27 OCCNCC1=CC=C(S1)Br MCULE-9999580715 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.29 C=CCCC(=O)C1=CC=CS1 MCULE-3962824043 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.29 C=CCC[C@@H](N)C1=CC=CN1 MCULE-8988787523 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.29 C=CCC[C@@H](N)C1=CC=CN1 MCULE-9930592842 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.29 C=CCC[C@@H](N)C1=CC=CO1 MCULE-1566902950 [1,1,0,0,0,0|1,1,0]=4 513 B11R1.29 C=CCC[C@@H](N)C1=CC=CO1 MCULE-7547876995 [1,1,0,0,0,0|1,1,0]=4 514 B11R1.29 C=CCC[C@@H](N)C1=CC=CS1 MCULE-4912433455 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.29 C=CCC[C@@H](N)C1=CC=CS1 MCULE-8356863368 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.29 C=CCC[C@H](N)C1=CC=CN1 MCULE-4142165962 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.29 C=CCC[C@H](N)C1=CC=CN1 MCULE-6104129003 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.29 C=CCC[C@H](N)C1=CC=CO1 MCULE-3636163866 [1,1,0,0,0,0|1,1,0]=4 519 B11R1.29 C=CCC[C@H](N)C1=CC=CO1 MCULE-6337784045 [1,1,0,0,0,0|1,1,0]=4 520 B11R1.29 C=CCC[C@H](N)C1=CC=CS1 MCULE-3672620232 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.29 C=CCC[C@H](N)C1=CC=CS1 MCULE-5625910455 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.29 CCCC[C@@H](N)C1=CC=CS1 MCULE-6383911946 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.29 CCCC[C@@H](N)C1=CC=CS1 MCULE-9103582219 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.29 CCCC[C@H](N)C1=CC=CS1 MCULE-5964219724 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.29 CCCC[C@H](N)C1=CC=CS1 MCULE-7843398889 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.29 CNCCC(C)C1=CC=CS1 MCULE-2846314771 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.29 CNCCC(O)C1=CC=CS1 MCULE-2033123156 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.29 CNCCC(O)C1=CC=CS1 MCULE-4155247843 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.29 CNCC[C@@H](O)C1=CC=CS1 MCULE-3430573054 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.29 CNCC[C@@H](O)C1=CC=CS1 MCULE-5730325055 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.29 CNCC[C@H](O)C1=CC=CS1 MCULE-3258761731 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.29 CNCC[C@H](O)C1=CC=CS1 MCULE-8325575629 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.29 NCCC[C@@H](N)C1=CC=CS1 MCULE-6941906460 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.29 NCCC[C@@H](N)C1=CC=CS1 MCULE-8759554012 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.29 NCCC[C@H](N)C1=CC=CS1 MCULE-6574881544 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.29 NCCC[C@H](N)C1=CC=CS1 MCULE-7001436313 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.29 N[C@@H](CCCO)C1=CC=CN1 MCULE-3932165335 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.29 N[C@@H](CCCO)C1=CC=CN1 MCULE-4495467954 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.29 N[C@@H](CCCO)C1=CC=CO1 MCULE-9331656985 [1,1,0,0,0,0|0,1,1]=4 540 B11R1.29 N[C@@H](CCCO)C1=CC=CO1 MCULE-9417787306 [1,1,0,0,0,0|0,1,1]=4 541 B11R1.29 N[C@@H](CCCO)C1=CC=CS1 MCULE-1439803901 [1,1,0,0,0,0|0,0,1]=3 542 B11R1.29 N[C@@H](CCCO)C1=CC=CS1 MCULE-4189022620 [1,1,0,0,0,0|0,0,1]=3 543 B11R1.29 N[C@H](CCCO)C1=CC=CN1 MCULE-1585305633 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.29 N[C@H](CCCO)C1=CC=CN1 MCULE-5222405264 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.29 N[C@H](CCCO)C1=CC=CO1 MCULE-3554097699 [1,1,0,0,0,0|0,1,1]=4 546 B11R1.29 N[C@H](CCCO)C1=CC=CO1 MCULE-5192844396 [1,1,0,0,0,0|0,1,1]=4 547 B11R1.29 N[C@H](CCCO)C1=CC=CS1 MCULE-5555156498 [1,1,0,0,0,0|0,0,1]=3 548 B11R1.29 N[C@H](CCCO)C1=CC=CS1 MCULE-6364246458 [1,1,0,0,0,0|0,0,1]=3 549 B11R1.180 C=CCNCC1=C(C=CS1)C MCULE-1714664424 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.180 C=CCNCC1=C(C=CS1)C MCULE-1744783181 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.180 C=CCNCC1=C(C=CS1)C MCULE-4865704707 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.180 CC1=C(SC=C1)CNCCO MCULE-7886619551 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.180 CC1=C(SC=N1)CCOC=O MCULE-4057662080 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.35 CC(=CC1=CC=CS1)C(=O)O MCULE-9297953193 [0,1,0,0,1,0|0,0,2]=4 555 B11R1.35 CC(CC1=CC=CN1)C(=O)O MCULE-7927079223 [0,1,0,0,1,0|1,0,0]=3 556 B11R1.35 CC(CC1=CC=CO1)C(=O)O MCULE-4967866488 [0,1,0,0,1,0|0,1,0]=3 557 B11R1.35 CC(CC1=CC=CS1)C(=O)O MCULE-1903423673 [0,1,0,0,1,0|0,0,0]=2 558 B11R1.35 CC(CC1=CN=CN1)C(=O)O MCULE-2039778007 [0,1,0,0,1,0|2,0,0]=4 559 B11R1.35 CC(CC1=CN=CN1)C(=O)O MCULE-8694921132 [0,1,0,0,1,0|2,0,0]=4 560 B11R1.35 CC(CC1=CSC=C1)C(=O)O MCULE-9064961209 [0,1,0,0,1,0|2,0,0]=4 561 B11R1.35 CC(CN1C=CC=N1)C(=O)O MCULE-5293945141 [0,1,0,0,1,0|2,0,0]=4 562 B11R1.35 CC(SC1=CC=CS1)C(=O)O MCULE-5785755939 [0,1,0,0,1,0|1,0,0]=3 563 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O MCULE-9956836124 [0,1,0,0,1,0|1,1,0]=4 564 B11R1.35 C[C@H](NC1=NC=CS1)C(=O)O MCULE-5633842724 [0,1,0,0,1,0|2,0,0]=4 565 B11R1.35 NC(CC1=CC=CN1)C(=O)O MCULE-2621735129 [0,1,0,0,1,0|1,0,0]=3 566 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-2615027072 [0,1,0,0,1,0|0,1,0]=3 567 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-5961212744 [0,1,0,0,1,0|0,1,0]=3 568 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-3785172886 [0,1,0,0,1,0|0,0,0]=2 569 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-8923550765 [0,1,0,0,1,0|0,0,0]=2 570 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-2221977105 [0,1,0,0,1,0|2,0,0]=4 571 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-4252889481 [0,1,0,0,1,0|2,0,0]=4 572 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-3561723067 [0,1,0,0,1,0|1,0,0]=3 573 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-7849285080 [0,1,0,0,1,0|1,0,0]=3 574 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-8240594688 [0,1,0,0,1,0|1,0,0]=3 575 B11R1.35 NC(CC1=CNC=C1)C(=O)O MCULE-9864992308 [0,1,0,0,1,0|2,0,0]=4 576 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-2923626784 [0,1,0,0,1,0|2,0,0]=4 577 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-6787534916 [0,1,0,0,1,0|2,0,0]=4 578 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-7525765487 [0,1,0,0,1,0|2,0,0]=4 579 B11R1.35 NC(CC1=COC=C1)C(=O)O MCULE-9216668765 [0,1,0,0,1,0|2,0,0]=4 580 B11R1.35 NC(CC1=CSC=C1)C(=O)O MCULE-9320828043 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.35 NC(CC1=CSC=C1)C(=O)O MCULE-9372566296 [0,1,0,0,1,0|2,0,0]=4 582 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-2390356050 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-6340376441 [0,1,0,0,1,0|2,0,0]=4 584 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-7084475028 [0,1,0,0,1,0|2,0,0]=4 585 B11R1.35 NC(CC1=NC=CS1)C(=O)O MCULE-2355445124 [0,1,0,0,1,0|1,0,0]=3 586 B11R1.35 NC(CC1=NC=CS1)C(=O)O MCULE-8413492225 [0,1,0,0,1,0|1,0,0]=3 587 B11R1.35 NC(CC1=NNC=C1)C(=O)O MCULE-8341443044 [0,1,0,0,1,0|2,0,0]=4 588 B11R1.35 NC(CC1=NNC=C1)C(=O)O MCULE-9363176690 [0,1,0,0,1,0|2,0,0]=4 589 B11R1.35 NC(CN1C=CC=C1)C(=O)O MCULE-6420960159 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.35 NC(CN1C=CC=N1)C(=O)O MCULE-3059611601 [0,1,0,0,1,0|2,0,0]=4 591 B11R1.35 NC(CN1C=CC=N1)C(=O)O MCULE-9483519317 [0,1,0,0,1,0|2,0,0]=4 592 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-2369724288 [0,1,0,0,1,0|0,1,0]=3 593 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5803182238 [0,1,0,0,1,0|0,1,0]=3 594 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5920888333 [0,1,0,0,1,0|0,1,0]=3 595 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-9717464601 [0,1,0,0,1,0|0,1,0]=3 596 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-3425714606 [0,1,0,0,1,0|0,0,0]=2 597 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-7666246740 [0,1,0,0,1,0|0,0,0]=2 598 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-8908733986 [0,1,0,0,1,0|0,0,0]=2 599 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O MCULE-2087791673 [0,1,0,0,1,0|2,0,0]=4 600 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O MCULE-7031820503 [0,1,0,0,1,0|2,0,0]=4 601 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-1155454458 [0,1,0,0,1,0|2,0,0]=4 602 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4083000888 [0,1,0,0,1,0|2,0,0]=4 603 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-5599456266 [0,1,0,0,1,0|2,0,0]=4 604 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-7458236044 [0,1,0,0,1,0|2,0,0]=4 605 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9282849595 [0,1,0,0,1,0|2,0,0]=4 606 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9753735240 [0,1,0,0,1,0|2,0,0]=4 607 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-1840395119 [0,1,0,0,1,0|2,0,0]=4 608 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-2068883490 [0,1,0,0,1,0|2,0,0]=4 609 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-2075437924 [0,1,0,0,1,0|2,0,0]=4 610 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-5577531277 [0,1,0,0,1,0|2,0,0]=4 611 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O MCULE-1834983933 [0,1,0,0,1,0|2,0,0]=4 612 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-2668036247 [0,1,0,0,1,0|2,0,0]=4 613 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-5714524091 [0,1,0,0,1,0|2,0,0]=4 614 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-1297692188 [0,1,0,0,1,0|2,0,0]=4 615 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-1796607981 [0,1,0,0,1,0|2,0,0]=4 616 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-3328462551 [0,1,0,0,1,0|2,0,0]=4 617 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-6620872920 [0,1,0,0,1,0|2,0,0]=4 618 B11R1.35 N[C@H](CC1=CC=CN1)C(=O)O MCULE-8757725265 [0,1,0,0,1,0|1,0,0]=3 619 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-2460207628 [0,1,0,0,1,0|0,1,0]=3 620 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-6984530934 [0,1,0,0,1,0|0,1,0]=3 621 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-6753547229 [0,1,0,0,1,0|0,0,0]=2 622 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-9975284076 [0,1,0,0,1,0|0,0,0]=2 623 B11R1.35 N[C@H](CC1=CN=CS1)C(=O)O MCULE-8243476757 [0,1,0,0,1,0|1,0,0]=3 624 B11R1.35 N[C@H](CC1=CNC=C1)C(=O)O MCULE-9800775235 [0,1,0,0,1,0|2,0,0]=4 625 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-2877373266 [0,1,0,0,1,0|2,0,0]=4 626 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-4994851602 [0,1,0,0,1,0|2,0,0]=4 627 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-9609124805 [0,1,0,0,1,0|2,0,0]=4 628 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-2930337657 [0,1,0,0,1,0|2,0,0]=4 629 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-3084219342 [0,1,0,0,1,0|2,0,0]=4 630 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-4905195149 [0,1,0,0,1,0|2,0,0]=4 631 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-5383024553 [0,1,0,0,1,0|2,0,0]=4 632 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-1622837336 [0,1,0,0,1,0|2,0,0]=4 633 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-4992429415 [0,1,0,0,1,0|2,0,0]=4 634 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-8070611987 [0,1,0,0,1,0|2,0,0]=4 635 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-8506384635 [0,1,0,0,1,0|2,0,0]=4 636 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-1425018039 [0,1,0,0,1,0|2,0,0]=4 637 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-9292185704 [0,1,0,0,1,0|2,0,0]=4 638 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 MCULE-8806340356 [0,1,0,0,1,0|0,0,1]=3 639 B11R1.35 O=C(O)C(Br)CC1=CN=CN1 MCULE-6042646005 [0,1,0,0,1,0|2,0,0]=4 640 B11R1.35 O=C(O)C(Cl)CN1C=CC=N1 MCULE-3448055509 [0,1,0,0,1,0|2,0,0]=4 641 B11R1.35 O=C(O)C(O)CC1=CC=CS1 MCULE-5295998672 [0,1,0,0,1,0|0,0,0]=2 642 B11R1.35 O=C(O)C(O)CC1=CN=CN1 MCULE-9405168040 [0,1,0,0,1,0|2,0,0]=4 643 B11R1.35 O=C(O)C(O)CN1C=CC=C1 MCULE-9216638920 [0,1,0,0,1,0|2,0,0]=4 644 B11R1.35 O=C(O)C(O)CN1C=CC=N1 MCULE-6573112131 [0,1,0,0,1,0|2,0,0]=4 645 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 MCULE-9508991160 [0,1,0,0,1,0|2,0,0]=4 646 B11R1.35 [C@H](N)(CC1=CSC=C1)C(=O)O MCULE-3699138278 [0,1,0,0,1,0|2,0,0]=4 647 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl MCULE-1642922072 [0,1,0,0,1,0|1,0,0]=3 648 B11R1.75 CC(=O)SCC1=CC(=CS1)Br MCULE-6460082219 [0,1,0,0,1,0|2,0,0]=4 649 B11R1.75 CC1=CC(=NO1)CCC(=O)O MCULE-3378074738 [0,1,0,0,1,0|2,0,0]=4 650 B11R1.75 CC1=CC=C(O1)CCC(=O)N MCULE-3566354504 [0,1,0,0,1,0|1,1,0]=4 651 B11R1.75 CC1=CC=C(O1)CCC(=O)O MCULE-6067365329 [0,1,0,0,1,0|0,1,0]=3 652 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O MCULE-4670055713 [0,1,0,0,1,0|0,0,2]=4 653 B11R1.75 CC1=CC=C(S1)C#CC(=O)O MCULE-3230780385 [0,1,0,0,1,0|0,0,2]=4 654 B11R1.75 CC1=CC=C(S1)C=CC(=O)O MCULE-8372699009 [0,1,0,0,1,0|0,0,2]=4 655 B11R1.75 CC1=CC=C(S1)CCC(=O)O MCULE-1322543612 [0,1,0,0,1,0|0,0,0]=2 656 B11R1.75 CC1=CN(N=C1)CCC(=O)O MCULE-7604509857 [0,1,0,0,1,0|2,0,0]=4 657 B11R1.75 CC1=CN=C(N1)CCC(=O)O MCULE-3730863195 [0,1,0,0,1,0|2,0,0]=4 658 B11R1.75 CC1=CN=C(O1)CCC(=O)O MCULE-2444599746 [0,1,0,0,1,0|1,1,0]=4 659 B11R1.75 CC1=CSC(=C1)/C=C/C(=O)O MCULE-6467593472 [0,1,0,0,1,0|0,0,2]=4 660 B11R1.75 CC1=CSC(=C1)CCC(=O)O MCULE-9487444949 [0,1,0,0,1,0|0,0,0]=2 661 B11R1.75 CC1=CSC(=N1)CCC(=O)N MCULE-5623580389 [0,1,0,0,1,0|2,0,0]=4 662 B11R1.75 CC1=CSC(=N1)CCC(=O)O MCULE-4382447299 [0,1,0,0,1,0|1,0,0]=3 663 B11R1.75 CC1=CSC(=N1)NCC(=O)O MCULE-4902640151 [0,1,0,0,1,0|2,0,0]=4 664 B11R1.75 CC1=CSC(=N1)SCC(=O)O MCULE-6976524215 [0,1,0,0,1,0|2,0,0]=4 665 B11R1.75 CC1=C[NH+]=C(S1)SCC(=O)O MCULE-5281457461 [0,1,0,0,1,0|2,0,0]=4 666 B11R1.75 CC1=C[NH+]=C(S1)SCC(=O)O MCULE-6150685273 [0,1,0,0,1,0|2,0,0]=4 667 B11R1.75 CC1=NC(=CN1)CCC(=O)O MCULE-4312521330 [0,1,0,0,1,0|2,0,0]=4 668 B11R1.75 CC1=NC(=CS1)CCC(=O)O MCULE-6201333243 [0,1,0,0,1,0|2,0,0]=4 669 B11R1.75 CC1=NC(=CS1)CCC(=O)O MCULE-7724457432 [0,1,0,0,1,0|2,0,0]=4 670 B11R1.75 CC1=NC=C(S1)CCC(=O)O MCULE-3350399518 [0,1,0,0,1,0|1,0,0]=3 671 B11R1.75 CC1=NN(C=C1)CCC(=O)O MCULE-4493982895 [0,1,0,0,1,0|2,0,0]=4 672 B11R1.75 CC1=NN=C(S1)CCC(=O)O MCULE-6765716317 [0,1,0,0,1,0|2,0,0]=4 673 B11R1.75 CC1=NNC(=C1)CCC(=O)O MCULE-6612442548 [0,1,0,0,1,0|2,0,0]=4 674 B11R1.75 CC1=NOC(=C1)CCC(=O)O MCULE-6454692713 [0,1,0,0,1,0|1,1,0]=4 675 B11R1.75 CN1C=CC(=C1)CCC(=O)O MCULE-4623817123 [0,1,0,0,1,0|2,0,0]=4 676 B11R1.75 CN1C=CC(=N1)CCC(=O)O MCULE-8327068965 [0,1,0,0,1,0|2,0,0]=4 677 B11R1.75 N=C(N)CCC1=CC=C(S1)Br MCULE-9135113865 [0,1,0,0,1,0|2,0,0]=4 678 B11R1.75 N=C(N)CCC1=CC=C(S1)Br MCULE-9346681122 [0,1,0,0,1,0|2,0,0]=4 679 B11R1.75 NC1=CN(N=C1)CCC(=O)O MCULE-5141494259 [0,1,0,0,1,0|2,0,0]=4 680 B11R1.75 NC1=CN(N=C1)CCC(=O)O MCULE-5520811129 [0,1,0,0,1,0|2,0,0]=4 681 B11R1.75 NC1=NC(=CS1)CCC(=O)O MCULE-1519545014 [0,1,0,0,1,0|2,0,0]=4 682 B11R1.75 NC1=NC(=CS1)CCC(=O)O MCULE-2497158466 [0,1,0,0,1,0|2,0,0]=4 683 B11R1.75 NC1=NC(=CS1)CCC(=O)O MCULE-5882922452 [0,1,0,0,1,0|2,0,0]=4 684 B11R1.75 NC1=NC=C(S1)CCC(=O)O MCULE-1788897200 [0,1,0,0,1,0|1,0,0]=3 685 B11R1.75 NC1=NN(C=C1)CCC(=O)O MCULE-2349651141 [0,1,0,0,1,0|2,0,0]=4 686 B11R1.75 NC1=NN(C=C1)CCC(=O)O MCULE-5522157737 [0,1,0,0,1,0|2,0,0]=4 687 B11R1.75 NC1=NN=C(S1)CCC(=O)O MCULE-4126907880 [0,1,0,0,1,0|2,0,0]=4 688 B11R1.75 O=C(O)/C=C/C1=CC(=CS1)Br MCULE-8144525587 [0,1,0,0,1,0|0,0,2]=4 689 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Br MCULE-6931620559 [0,1,0,0,1,0|0,0,2]=4 690 B11R1.75 O=C(O)C=CC1=CC(=CS1)Br MCULE-2182030384 [0,1,0,0,1,0|0,0,2]=4 691 B11R1.75 O=C(O)C=CC1=CC=C(S1)Br MCULE-2801862894 [0,1,0,0,1,0|0,0,2]=4 692 B11R1.75 O=C(O)CCC1=CC(=CS1)Br MCULE-2009432961 [0,1,0,0,1,0|0,0,0]=2 693 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl MCULE-3702716997 [0,1,0,0,1,0|0,0,0]=2 694 B11R1.75 O=C(O)CCC1=CC(=NO1)Br MCULE-2306740292 [0,1,0,0,1,0|1,1,0]=4 695 B11R1.75 O=C(O)CCC1=CC(=NO1)Cl MCULE-8953796559 [0,1,0,0,1,0|1,1,0]=4 696 B11R1.75 O=C(O)CCC1=CC(=O)NO1 MCULE-1230469268 [0,1,0,0,1,0|1,1,0]=4 697 B11R1.75 O=C(O)CCC1=CC=C(S1)Br MCULE-1504750189 [0,1,0,0,1,0|0,0,0]=2 698 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl MCULE-8046412357 [0,1,0,0,1,0|0,0,0]=2 699 B11R1.75 O=C(O)CCC1=CN=C(S1)Br MCULE-8659303793 [0,1,0,0,1,0|1,0,0]=3 700 B11R1.75 O=C(O)CCC1=CNC(=O)N1 MCULE-2706002292 [0,1,0,0,1,0|2,0,0]=4 701 B11R1.75 O=C(O)CCC1=CNC(=S)N1 MCULE-3837669031 [0,1,0,0,1,0|2,0,0]=4 702 B11R1.75 O=C(O)CCC1=CSC(=C1)Br MCULE-4727002489 [0,1,0,0,1,0|2,0,0]=4 703 B11R1.75 O=C(O)CCN1C=C(C=N1)Br MCULE-2058062625 [0,1,0,0,1,0|2,0,0]=4 704 B11R1.75 O=C(O)CCN1C=C(C=N1)Br MCULE-7711015175 [0,1,0,0,1,0|2,0,0]=4 705 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl MCULE-2424288635 [0,1,0,0,1,0|2,0,0]=4 706 B11R1.75 O=C(O)CCN1C=C(C=N1)F MCULE-7041627124 [0,1,0,0,1,0|2,0,0]=4 707 B11R1.75 O=C(O)CCN1C=C(C=N1)I MCULE-5094869596 [0,1,0,0,1,0|2,0,0]=4 708 B11R1.75 O=C(O)CCN1C=CC(=N1)Br MCULE-8600169451 [0,1,0,0,1,0|2,0,0]=4 709 B11R1.75 O=C(O)CCN1C=CC(=N1)F MCULE-5963463856 [0,1,0,0,1,0|2,0,0]=4 710 B11R1.75 O=C(O)CCN1C=CC(=N1)I MCULE-1402780610 [0,1,0,0,1,0|2,0,0]=4 711 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CS1 MCULE-1300695825 [0,1,0,0,1,0|2,0,0]=4 712 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CS1 MCULE-1669893695 [0,1,0,0,1,0|2,0,0]=4 713 B11R1.77 C=C(C)C[C@H](N)C1=CC=CS1 MCULE-1807659264 [0,1,0,0,1,0|2,0,0]=4 714 B11R1.77 C=C(C)C[C@H](N)C1=CC=CS1 MCULE-5600084582 [0,1,0,0,1,0|2,0,0]=4 715 B11R1.77 CC(=CC(=O)O)C1=CC=CS1 MCULE-7179456295 [0,1,0,0,1,0|0,0,2]=4 716 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 MCULE-3430263061 [0,1,0,0,1,0|1,0,1]=4 717 B11R1.77 CC(CC(=O)O)C1=CC=CO1 MCULE-1929187509 [0,1,0,0,1,0|0,1,0]=3 718 B11R1.77 CC(CC(=O)O)C1=CC=CS1 MCULE-4589142714 [0,1,0,0,1,0|0,0,0]=2 719 B11R1.77 CC(CC(=O)O)N1C=CC=C1 MCULE-6250699921 [0,1,0,0,1,0|2,0,0]=4 720 B11R1.77 CC(CC(=O)O)N1C=CC=N1 MCULE-7333285698 [0,1,0,0,1,0|2,0,0]=4 721 B11R1.77 NC(CC(=O)O)C1=CC=CO1 MCULE-4837417792 [0,1,0,0,1,0|0,1,0]=3 722 B11R1.77 NC(CC(=O)O)C1=CC=CO1 MCULE-4958340543 [0,1,0,0,1,0|0,1,0]=3 723 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-4310408967 [0,1,0,0,1,0|0,0,0]=2 724 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-4515895911 [0,1,0,0,1,0|0,0,0]=2 725 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-8010171040 [0,1,0,0,1,0|0,0,0]=2 726 B11R1.77 NC(CC(=O)O)C1=COC=C1 MCULE-6837342366 [0,1,0,0,1,0|2,0,0]=4 727 B11R1.77 NC(CC(=O)O)C1=CSC=C1 MCULE-6863038462 [0,1,0,0,1,0|2,0,0]=4 728 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-3487071362 [0,1,0,0,1,0|0,1,0]=3 729 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-6738812017 [0,1,0,0,1,0|0,1,0]=3 730 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-6817919574 [0,1,0,0,1,0|0,1,0]=3 731 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-5396701536 [0,1,0,0,1,0|0,0,0]=2 732 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-6166848611 [0,1,0,0,1,0|0,0,0]=2 733 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-7980073440 [0,1,0,0,1,0|0,0,0]=2 734 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-9153700407 [0,1,0,0,1,0|0,0,0]=2 735 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 MCULE-1944262956 [0,1,0,0,1,0|2,0,0]=4 736 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 MCULE-2001475870 [0,1,0,0,1,0|2,0,0]=4 737 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 MCULE-7065799451 [0,1,0,0,1,0|2,0,0]=4 738 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-1644247813 [0,1,0,0,1,0|0,1,0]=3 739 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-3339059246 [0,1,0,0,1,0|0,1,0]=3 740 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-9235419752 [0,1,0,0,1,0|0,1,0]=3 741 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-9295639672 [0,1,0,0,1,0|0,1,0]=3 742 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 MCULE-3827031042 [0,1,0,0,1,0|0,0,0]=2 743 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 MCULE-7126396520 [0,1,0,0,1,0|0,0,0]=2 744 B11R1.77 N[C@H](CC(=O)O)C1=CSC=C1 MCULE-3280793536 [0,1,0,0,1,0|2,0,0]=4 745 B11R1.77 N[C@H](CC(=O)O)C1=CSC=C1 MCULE-5136787808 [0,1,0,0,1,0|2,0,0]=4 746 B11R1.77 O=C(O)CC(=O)C1=CC=CO1 MCULE-2623089072 [0,1,0,0,1,0|0,1,1]=4 747 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O MCULE-7874369652 [0,1,0,0,1,0|0,0,2]=4 748 B11R1.90 CC1=C(SC=C1)C=CC(=O)O MCULE-5468660790 [0,1,0,0,1,0|0,0,2]=4 749 B11R1.90 CC1=C(SC=C1)CCC(=O)O MCULE-6164958609 [0,1,0,0,1,0|0,0,0]=2 750 B11R1.90 CC1=C(SC=N1)CCC(=O)O MCULE-5922966332 [0,1,0,0,1,0|1,0,0]=3 751 B11R1.90 CC1=CC=NN1CCC(=O)O MCULE-2170696066 [0,1,0,0,1,0|2,0,0]=4 752 B11R1.90 CN1C=CC=C1CCC(=O)O MCULE-2837121735 [0,1,0,0,1,0|1,0,0]=3 753 B11R1.90 CN1C=CN=C1CCC(=O)O MCULE-7010355695 [0,1,0,0,1,0|2,0,0]=4 754 B11R1.90 CN1C=CN=C1CCC(=O)O MCULE-9754415146 [0,1,0,0,1,0|2,0,0]=4 755 B11R1.90 CN1C=NC=C1CCC(=O)O MCULE-6757787886 [0,1,0,0,1,0|2,0,0]=4 756 B11R1.90 CN1C=NC=C1CCC(=O)O MCULE-9165044655 [0,1,0,0,1,0|2,0,0]=4 757 B11R1.90 CN1N=CC=C1CCC(=O)O MCULE-9654508612 [0,1,0,0,1,0|2,0,0]=4 758 B11R1.90 O=C(O)CCC1=C(C=CS1)Br MCULE-6201800612 [0,1,0,0,1,0|0,0,0]=2 759 B11R1.90 O=C(O)CCC1=C(SC=C1)Br MCULE-2144738859 [0,1,0,0,1,0|2,0,0]=4 760 B11R1.90 O=C(O)CCC1=CSC=C1Br MCULE-7023777453 [0,1,0,0,1,0|2,0,0]=4 761 B11R1.90 O=C(O)CCN1N=CC=C1Br MCULE-9755197354 [0,1,0,0,1,0|2,0,0]=4 762 B11R1.90 O=C(O)CCN1N=CC=C1I MCULE-5457464804 [0,1,0,0,1,0|2,0,0]=4 763 B11R1.510 CC(C)(O)CCC1=CC=CS1 MCULE-2494489075 [0,1,0,0,1,0|1,0,1]=4 764 B11R1.510 NS(=O)(=O)CCC1=CC=CS1 MCULE-1604732649 [0,1,0,0,1,0|1,0,1]=4 765 B11R1.510 O=S(=O)(Cl)CCC1=CC=CS1 MCULE-9605811722 [0,1,0,0,1,0|1,0,1]=4 766 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [0,1,0,0,0,1|1,0,0]=3 767 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-3454389940 [0,1,0,0,0,1|2,0,0]=4 768 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-9418621810 [0,1,0,0,0,1|2,0,0]=4 769 B13R1.45 CC(NCC(=O)O)C1=NC=CC=C1 MCULE-4224121742 [0,1,0,0,0,1|2,0,0]=4 770 B13R1.45 CC(NCC(=O)O)C1=NC=CN=C1 MCULE-3960507029 [0,1,0,0,0,1|2,0,0]=4 771 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-6181229610 [0,1,0,0,0,1|2,0,0]=4 772 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-7016084931 [0,1,0,0,0,1|2,0,0]=4 773 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-6707846891 [0,1,0,0,0,1|2,0,0]=4 774 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7678257919 [0,1,0,0,0,1|2,0,0]=4 775 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-8801851891 [0,1,0,0,0,1|2,0,0]=4 776 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-2914925663 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7694471053 [0,1,0,0,0,1|2,0,0]=4 778 B13R1.45 C[C@H](OCC(=O)O)C1=CC=CC=C1 MCULE-7615720029 [0,1,0,0,0,1|2,0,0]=4 779 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [0,1,0,0,0,1|1,0,0]=3 780 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [0,1,0,0,0,1|1,0,0]=3 781 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [0,1,0,0,0,1|1,0,0]=3 782 B13R1.45 NC(CCC(=O)O)C1=CC=CC=N1 MCULE-4068806991 [0,1,0,0,0,1|1,0,0]=3 783 B13R1.45 NC(CCC(=O)O)C1=CC=NC=C1 MCULE-8327325869 [0,1,0,0,0,1|1,0,0]=3 784 B13R1.45 NC(CCC(=O)O)C1=NC=CC=C1 MCULE-2256440112 [0,1,0,0,0,1|1,0,0]=3 785 B13R1.45 NN(CCC(=O)O)C1=CC=CC=C1 MCULE-6515024702 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [0,1,0,0,0,1|1,0,0]=3 787 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [0,1,0,0,0,1|1,0,0]=3 788 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [0,1,0,0,0,1|1,0,0]=3 789 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=NC=C1 MCULE-4246152867 [0,1,0,0,0,1|1,0,0]=3 791 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [0,1,0,0,0,1|1,0,0]=3 792 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [0,1,0,0,0,1|1,0,0]=3 793 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [0,1,0,0,0,1|1,0,0]=3 794 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [0,1,0,0,0,1|1,0,0]=3 795 B13R1.45 N[C@H](CCC(=O)O)C1=CC=NC=C1 MCULE-3485856671 [0,1,0,0,0,1|1,0,0]=3 796 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [0,1,0,0,0,1|1,0,1]=4 797 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 MCULE-9218064287 [0,1,0,0,0,1|1,0,1]=4 798 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [0,1,0,0,0,1|1,0,1]=4 799 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4148866271 [0,1,0,0,0,1|1,0,1]=4 800 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4643360404 [0,1,0,0,0,1|1,0,1]=4 801 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [0,1,0,0,0,1|1,0,0]=3 802 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [0,1,0,0,0,1|1,0,0]=3 803 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O MCULE-3306898022 [0,1,0,0,0,1|2,0,0]=4 804 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O MCULE-9278241705 [0,1,0,0,0,1|2,0,0]=4 805 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O MCULE-5107743765 [0,1,0,0,0,1|2,0,0]=4 806 B13R1.149 CC1=CC=CC(=C1)CCCC(=O)O MCULE-2620152702 [0,1,0,0,0,1|1,0,0]=3 807 B13R1.149 CC1=CC=CC(=C1)CSCC(=O)O MCULE-2147732757 [0,1,0,0,0,1|2,0,0]=4 808 B13R1.149 CC1=CC=CC(=C1)OCCC(=O)O MCULE-8565351124 [0,1,0,0,0,1|2,0,0]=4 809 B13R1.149 NC1=CC=CC(=C1)CCCC(=O)O MCULE-5687073694 [0,1,0,0,0,1|1,0,0]=3 810 B13R1.149 NC1=CC=CC(=C1)CCCC(=O)O MCULE-9188705801 [0,1,0,0,0,1|1,0,0]=3 811 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br MCULE-6168683210 [0,1,0,0,0,1|1,0,0]=3 812 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl MCULE-6314143759 [0,1,0,0,0,1|1,0,0]=3 813 B13R1.149 O=C(O)CCCC1=CC=CC(=C1)F MCULE-3630175556 [0,1,0,0,0,1|1,0,0]=3 814 B13R1.149 O=C(O)CCNC1=CC(=CC=C1)Br MCULE-4334830163 [0,1,0,0,0,1|2,0,0]=4 815 B13R1.149 O=C(O)CCNC1=CC(=NC=N1)Cl MCULE-5896968867 [0,1,0,0,0,1|2,0,0]=4 816 B13R1.149 O=C(O)CCNC1=CC=CC(=C1)F MCULE-4131082107 [0,1,0,0,0,1|2,0,0]=4 817 B13R1.149 O=C(O)CCNC1=CC=NC(=N1)Cl MCULE-7596975896 [0,1,0,0,0,1|2,0,0]=4 818 B13R1.149 O=C(O)CCNC1=NC(=CC=C1)Br MCULE-8300066056 [0,1,0,0,0,1|2,0,0]=4 819 B13R1.149 O=C(O)CCNC1=NC(=CC=C1)Cl MCULE-4541476856 [0,1,0,0,0,1|2,0,0]=4 820 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br MCULE-8892751258 [0,1,0,0,0,1|2,0,0]=4 821 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl MCULE-8966028536 [0,1,0,0,0,1|2,0,0]=4 822 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F MCULE-3149177563 [0,1,0,0,0,1|2,0,0]=4 823 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I MCULE-6319432006 [0,1,0,0,0,1|2,0,0]=4 824 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl MCULE-8914623973 [0,1,0,0,0,1|2,0,0]=4 825 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F MCULE-2755840351 [0,1,0,0,0,1|2,0,0]=4 826 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F MCULE-9998290191 [0,1,0,0,0,1|2,0,0]=4 827 B13R1.149 O=C(O)CNCC1=CC(=NC=C1)Br MCULE-9043594830 [0,1,0,0,0,1|2,0,0]=4 828 B13R1.149 O=C(O)CNCC1=CC=CC(=C1)Cl MCULE-3355376155 [0,1,0,0,0,1|2,0,0]=4 829 B13R1.149 O=C(O)CNCC1=CC=CC(=C1)Cl MCULE-7374581210 [0,1,0,0,0,1|2,0,0]=4 830 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl MCULE-6961403073 [0,1,0,0,0,1|2,0,0]=4 831 B13R1.149 O=C(O)COCC1=CC(=CC=C1)F MCULE-7952597617 [0,1,0,0,0,1|2,0,0]=4 832 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 MCULE-7694692829 [0,1,0,0,0,1|2,0,0]=4 833 B13R1.149 O=C(O)CSCC1=CC=CC(=C1)Br MCULE-2037408401 [0,1,0,0,0,1|2,0,0]=4 834 B13R1.149 O=C(O)CSCC1=CC=CC(=C1)Cl MCULE-9944265329 [0,1,0,0,0,1|2,0,0]=4 835 B13R1.158 CC1=C(C=CC=C1)CCCC(=O)O MCULE-8086754634 [0,1,0,0,0,1|1,0,0]=3 836 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O MCULE-7575998033 [0,1,0,0,0,1|2,0,0]=4 837 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O MCULE-8080342184 [0,1,0,0,0,1|2,0,0]=4 838 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O MCULE-1126440851 [0,1,0,0,0,1|2,0,0]=4 839 B13R1.158 CC1=C(C=CC=C1)CSCC(=O)O MCULE-2262275281 [0,1,0,0,0,1|2,0,0]=4 840 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O MCULE-6433959628 [0,1,0,0,0,1|2,0,0]=4 841 B13R1.158 CC1=CC=CC=C1OCCC(=O)O MCULE-1847570735 [0,1,0,0,0,1|2,0,0]=4 842 B13R1.158 CC1=CC=CC=C1SCCC(=O)O MCULE-3610383733 [0,1,0,0,0,1|2,0,0]=4 843 B13R1.158 NC(=O)CCCC1=CC=CC=C1Cl MCULE-9246651590 [0,1,0,0,0,1|2,0,0]=4 844 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-4546839548 [0,1,0,0,0,1|1,0,0]=3 845 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-8845736053 [0,1,0,0,0,1|1,0,0]=3 846 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-4643199382 [0,1,0,0,0,1|2,0,0]=4 847 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-9399438033 [0,1,0,0,0,1|2,0,0]=4 848 B13R1.158 O=C(Cl)CCCC1=CC=CC=C1F MCULE-9019321403 [0,1,0,0,0,1|2,0,0]=4 849 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br MCULE-9066386382 [0,1,0,0,0,1|1,0,0]=3 850 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl MCULE-6520890001 [0,1,0,0,0,1|1,0,0]=3 851 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F MCULE-7333605867 [0,1,0,0,0,1|1,0,0]=3 852 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)O MCULE-6061979247 [0,1,0,0,0,1|1,0,0]=3 853 B13R1.158 O=C(O)CCCN1C=CC=CC1=O MCULE-5104600919 [0,1,0,0,0,1|2,0,0]=4 854 B13R1.158 O=C(O)CCCN1N=CC=CC1=O MCULE-8440696679 [0,1,0,0,0,1|2,0,0]=4 855 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)F MCULE-9617002989 [0,1,0,0,0,1|2,0,0]=4 856 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl MCULE-7708706863 [0,1,0,0,0,1|2,0,0]=4 857 B13R1.158 O=C(O)CCNC1=CC=CC=C1I MCULE-8194705706 [0,1,0,0,0,1|2,0,0]=4 858 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br MCULE-1634299141 [0,1,0,0,0,1|2,0,0]=4 859 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl MCULE-2237792478 [0,1,0,0,0,1|2,0,0]=4 860 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F MCULE-8402983120 [0,1,0,0,0,1|2,0,0]=4 861 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)I MCULE-3745325973 [0,1,0,0,0,1|2,0,0]=4 862 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br MCULE-9251688488 [0,1,0,0,0,1|2,0,0]=4 863 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl MCULE-1522135518 [0,1,0,0,0,1|2,0,0]=4 864 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F MCULE-4201790331 [0,1,0,0,0,1|2,0,0]=4 865 B13R1.158 O=C(O)CNCC1=C(C=CC=C1)Br MCULE-4326023014 [0,1,0,0,0,1|2,0,0]=4 866 B13R1.158 O=C(O)CNCC1=CC=CC=C1Cl MCULE-1625907465 [0,1,0,0,0,1|2,0,0]=4 867 B13R1.158 O=C(O)CNCC1=CC=CC=C1Cl MCULE-7566342930 [0,1,0,0,0,1|2,0,0]=4 868 B13R1.158 O=C(O)CNCC1=CC=CC=C1F MCULE-9825730426 [0,1,0,0,0,1|2,0,0]=4 869 B13R1.158 O=C(O)CNCC1=CC=CC=C1I MCULE-5276781878 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.158 O=C(O)CNCC1=NC=CN=C1Cl MCULE-9251346858 [0,1,0,0,0,1|2,0,0]=4 871 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl MCULE-5182686332 [0,1,0,0,0,1|2,0,0]=4 872 B13R1.158 O=C(O)COCC1=C(C=CC=C1)F MCULE-6728381420 [0,1,0,0,0,1|2,0,0]=4 873 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Br MCULE-1240587438 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl MCULE-9571632216 [0,1,0,0,0,1|2,0,0]=4 875 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)F MCULE-6635727666 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.348 CC(CC(=O)O)OC1=CC=CC=C1 MCULE-1079259631 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 MCULE-3843466268 [0,1,0,0,0,1|2,0,0]=4 878 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 MCULE-3886065372 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 MCULE-2093977192 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 MCULE-1596056538 [0,1,0,0,0,1|2,0,0]=4 881 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 MCULE-8856694059 [0,1,0,0,0,1|2,0,0]=4 882 B13R1.348 CN(CC(=O)O)CC1=CN=CC=C1 MCULE-8639515313 [0,1,0,0,0,1|2,0,0]=4 883 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 MCULE-1205205478 [0,1,0,0,0,1|2,0,0]=4 884 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 MCULE-1305163466 [0,1,0,0,0,1|2,0,0]=4 885 B13R1.348 CN(CC(=O)O)CC1=NC=CN=C1 MCULE-4011702822 [0,1,0,0,0,1|2,0,0]=4 886 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 MCULE-7312149583 [0,1,0,0,0,1|1,0,0]=3 887 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 MCULE-7562642812 [0,1,0,0,0,1|1,0,0]=3 888 B13R1.348 NC(CC(=O)O)CC1=CC=CN=C1 MCULE-8199109170 [0,1,0,0,0,1|1,0,0]=3 889 B13R1.348 NC(CC(=O)O)CC1=CC=CN=C1 MCULE-8652871170 [0,1,0,0,0,1|1,0,0]=3 890 B13R1.348 NC(CC(=O)O)CC1=CC=NC=C1 MCULE-7399531153 [0,1,0,0,0,1|1,0,0]=3 891 B13R1.348 NC(CC(=O)O)CC1=CC=NC=C1 MCULE-8042369673 [0,1,0,0,0,1|1,0,0]=3 892 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-1099480064 [0,1,0,0,0,1|1,0,0]=3 893 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-1511536989 [0,1,0,0,0,1|1,0,0]=3 894 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-3741596903 [0,1,0,0,0,1|1,0,0]=3 895 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 MCULE-5386657741 [0,1,0,0,0,1|1,0,0]=3 896 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 MCULE-1669200894 [0,1,0,0,0,1|1,0,0]=3 897 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 MCULE-4996936193 [0,1,0,0,0,1|1,0,0]=3 898 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 MCULE-6763100819 [0,1,0,0,0,1|1,0,0]=3 899 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 MCULE-7308104054 [0,1,0,0,0,1|1,0,0]=3 900 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 MCULE-4397380511 [0,1,0,0,0,1|1,0,0]=3 901 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 MCULE-5096377673 [0,1,0,0,0,1|1,0,0]=3 902 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 MCULE-5896724687 [0,1,0,0,0,1|1,0,0]=3 903 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 MCULE-7505313222 [0,1,0,0,0,1|1,0,0]=3 904 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-1213190445 [0,1,0,0,0,1|1,0,0]=3 905 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-4947387639 [0,1,0,0,0,1|1,0,0]=3 906 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-7320146706 [0,1,0,0,0,1|1,0,0]=3 907 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 MCULE-9110835818 [0,1,0,0,0,1|1,0,0]=3 908 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CN=C1 MCULE-1844854356 [0,1,0,0,0,1|1,0,0]=3 909 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CN=C1 MCULE-8941416281 [0,1,0,0,0,1|1,0,0]=3 910 B13R1.348 N[C@H](CC(=O)O)CC1=CC=NC=C1 MCULE-1243262331 [0,1,0,0,0,1|1,0,0]=3 911 B13R1.348 N[C@H](CC(=O)O)CC1=CC=NC=C1 MCULE-2389374075 [0,1,0,0,0,1|1,0,0]=3 912 B13R1.348 O=C(O)CC(=O)CC1=CC=CC=C1 MCULE-2648013104 [0,1,0,0,0,1|1,0,1]=4 913 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 MCULE-8990071495 [0,1,0,0,0,1|1,0,0]=3 914 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O MCULE-7379407319 [0,1,0,0,0,1|1,0,0]=3 915 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O MCULE-9503504513 [0,1,0,0,0,1|2,0,0]=4 916 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O MCULE-5686565762 [0,1,0,0,0,1|2,0,0]=4 917 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O MCULE-8047591178 [0,1,0,0,0,1|2,0,0]=4 918 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O MCULE-9112844841 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O MCULE-3524985301 [0,1,0,0,0,1|2,0,0]=4 920 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O MCULE-4281699262 [0,1,0,0,0,1|2,0,0]=4 921 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O MCULE-2277977761 [0,1,0,0,0,1|2,0,0]=4 922 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O MCULE-7789298081 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O MCULE-8485315352 [0,1,0,0,0,1|2,0,0]=4 924 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O MCULE-5446888299 [0,1,0,0,0,1|2,0,0]=4 925 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O MCULE-9564089350 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O MCULE-3001042921 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O MCULE-4434459617 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O MCULE-7168308206 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O MCULE-6038689952 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O MCULE-8390998499 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O MCULE-9525640847 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O MCULE-7749356438 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O MCULE-8451141700 [0,1,0,0,0,1|2,0,0]=4 934 B13R1.351 NC(=O)C(N)CCC1=CC=CC=C1 MCULE-9732082867 [0,1,0,0,0,1|2,0,0]=4 935 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-5846714028 [0,1,0,0,0,1|1,0,0]=3 936 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6298102909 [0,1,0,0,0,1|1,0,0]=3 937 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6801867186 [0,1,0,0,0,1|1,0,0]=3 938 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O MCULE-3457547807 [0,1,0,0,0,1|1,0,0]=3 939 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O MCULE-8849197069 [0,1,0,0,0,1|1,0,0]=3 940 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O MCULE-3830291208 [0,1,0,0,0,1|1,0,0]=3 941 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O MCULE-7407312060 [0,1,0,0,0,1|1,0,0]=3 942 B13R1.351 NC(CNC1=CC=CC=C1)C(=O)O MCULE-6123987164 [0,1,0,0,0,1|2,0,0]=4 943 B13R1.351 NC(COC1=CC=CC=C1)C(=O)O MCULE-1983365366 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O MCULE-1203820662 [0,1,0,0,0,1|2,0,0]=4 945 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O MCULE-9787337080 [0,1,0,0,0,1|2,0,0]=4 946 B13R1.351 NC(CSC1=CC=NC=C1)C(=O)O MCULE-7653730988 [0,1,0,0,0,1|2,0,0]=4 947 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-4559879821 [0,1,0,0,0,1|1,0,0]=3 948 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6703664755 [0,1,0,0,0,1|1,0,0]=3 949 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6919063042 [0,1,0,0,0,1|1,0,0]=3 950 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-8742414639 [0,1,0,0,0,1|1,0,0]=3 951 B13R1.351 N[C@@H](CNC1=CC=CC=C1)C(=O)O MCULE-8235847783 [0,1,0,0,0,1|2,0,0]=4 952 B13R1.351 N[C@@H](COC1=CC=CC=C1)C(=O)O MCULE-3653516384 [0,1,0,0,0,1|2,0,0]=4 953 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O MCULE-3064974464 [0,1,0,0,0,1|2,0,0]=4 954 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O MCULE-7600953452 [0,1,0,0,0,1|2,0,0]=4 955 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O MCULE-2645239845 [0,1,0,0,0,1|2,0,0]=4 956 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O MCULE-2650735200 [0,1,0,0,0,1|2,0,0]=4 957 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-4182463122 [0,1,0,0,0,1|1,0,0]=3 958 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-5087054270 [0,1,0,0,0,1|1,0,0]=3 959 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7679113471 [0,1,0,0,0,1|1,0,0]=3 960 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7791619414 [0,1,0,0,0,1|1,0,0]=3 961 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O MCULE-1181768450 [0,1,0,0,0,1|2,0,0]=4 962 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O MCULE-2658156823 [0,1,0,0,0,1|2,0,0]=4 963 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O MCULE-7999236192 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 MCULE-5355166420 [0,1,0,0,0,1|1,0,1]=4 965 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 MCULE-5292402211 [0,1,0,0,0,1|1,0,0]=3 966 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-4257585560 [0,1,0,0,0,1|1,0,0]=3 967 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-5664756838 [0,1,0,0,0,1|1,0,0]=3 968 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-5061224318 [0,1,0,0,0,1|1,0,0]=3 969 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-8347273271 [0,1,0,0,0,1|1,0,0]=3 970 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-2268613096 [0,1,0,0,0,1|1,0,0]=3 971 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-9835086512 [0,1,0,0,0,1|1,0,0]=3 972 B13R1.513 CC(=O)CCCC1=CC=C(C=C1)Cl MCULE-3136579961 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)Cl MCULE-2361950342 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O MCULE-9264700102 [0,1,0,0,0,1|1,0,0]=3 975 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O MCULE-2470476224 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O MCULE-9439243852 [0,1,0,0,0,1|2,0,0]=4 977 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O MCULE-9012141447 [0,1,0,0,0,1|2,0,0]=4 978 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O MCULE-1969486511 [0,1,0,0,0,1|2,0,0]=4 979 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O MCULE-8652681898 [0,1,0,0,0,1|2,0,0]=4 980 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O MCULE-9368077352 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O MCULE-1755571946 [0,1,0,0,0,1|2,0,0]=4 982 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O MCULE-3965306638 [0,1,0,0,0,1|2,0,0]=4 983 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O MCULE-4534927390 [0,1,0,0,0,1|1,0,0]=3 984 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O MCULE-6932857541 [0,1,0,0,0,1|2,0,0]=4 985 B13R1.513 O=C(Cl)CCCC1=CC=C(C=C1)F MCULE-2536853363 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br MCULE-3233980702 [0,1,0,0,0,1|1,0,0]=3 987 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl MCULE-8089882538 [0,1,0,0,0,1|1,0,0]=3 988 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F MCULE-6338279408 [0,1,0,0,0,1|1,0,0]=3 989 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)I MCULE-5120307139 [0,1,0,0,0,1|1,0,0]=3 990 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O MCULE-6084225772 [0,1,0,0,0,1|1,0,0]=3 991 B13R1.513 O=C(O)CCNC1=CC=C(C=C1)Br MCULE-9183981024 [0,1,0,0,0,1|2,0,0]=4 992 B13R1.513 O=C(O)CCNC1=CC=C(C=C1)Cl MCULE-7907272480 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.513 O=C(O)CCNC1=CC=C(C=N1)Cl MCULE-4007167787 [0,1,0,0,0,1|2,0,0]=4 994 B13R1.513 O=C(O)CCNC1=CC=C(N=N1)Cl MCULE-4115944692 [0,1,0,0,0,1|2,0,0]=4 995 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br MCULE-4054160375 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl MCULE-1925407378 [0,1,0,0,0,1|2,0,0]=4 997 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F MCULE-3183471561 [0,1,0,0,0,1|2,0,0]=4 998 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br MCULE-2054430905 [0,1,0,0,0,1|2,0,0]=4 999 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl MCULE-9176337975 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F MCULE-1982470844 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Br MCULE-4700701484 [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Br MCULE-8611912575 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl MCULE-6575413490 [0,1,0,0,0,1|2,0,0]=4 1004 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl MCULE-6982527308 [0,1,0,0,0,1|2,0,0]=4 1005 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F MCULE-2442159290 [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F MCULE-5020020469 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)O MCULE-6442035108 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)O MCULE-9086510260 [0,1,0,0,0,1|2,0,0]=4 1009 B13R1.513 O=C(O)CNCC1=CC=C(N=C1)Br MCULE-2198852581 [0,1,0,0,0,1|2,0,0]=4 1010 B13R1.513 O=C(O)CNCC1=CC=C(N=C1)Cl MCULE-5671201532 [0,1,0,0,0,1|2,0,0]=4 1011 B13R1.513 O=C(O)CNCC1=NN=C(C=C1)Cl MCULE-7968305923 [0,1,0,0,0,1|2,0,0]=4 1012 B13R1.513 O=C(O)COCC1=CC=C(C=C1)Br MCULE-8289570060 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.513 O=C(O)COCC1=CC=C(C=C1)F MCULE-9658760132 [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br MCULE-4654048658 [0,1,0,0,0,1|2,0,0]=4 1015 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl MCULE-2783761494 [0,1,0,0,0,1|2,0,0]=4 1016 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F MCULE-1497978694 [0,1,0,0,0,1|2,0,0]=4 1017 B13R1.718 CCC(=O)CCCC1=CC=CC=C1 MCULE-2242431944 [0,1,0,0,0,1|2,0,0]=4 1018 B13R1.718 COC(=O)CCCC1=CC=CC=C1 MCULE-8740823394 [0,1,0,0,0,1|1,0,0]=3 1019 B13R1.718 COC(=O)CCNC1=CC=CC=C1 MCULE-1124196390 [0,1,0,0,0,1|2,0,0]=4 1020 B13R1.718 COC(=O)CCNC1=CC=NC=C1 MCULE-2632571079 [0,1,0,0,0,1|2,0,0]=4 1021 B13R1.718 COC(=O)CCNC1=CC=NC=C1 MCULE-6664483809 [0,1,0,0,0,1|2,0,0]=4 1022 B13R1.718 COC(=O)CCNC1=NC=CC=C1 MCULE-9467496605 [0,1,0,0,0,1|2,0,0]=4 1023 B13R1.718 COC(=O)CCOC1=CC=CC=C1 MCULE-5742062073 [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.718 COC(=O)CCSC1=CC=CC=C1 MCULE-4268534555 [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.718 COC(=O)CNCC1=CC=CC=C1 MCULE-3784754204 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.718 COC(=O)CNCC1=CC=CC=C1 MCULE-4605395832 [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.718 COC(=O)COCC1=CC=CC=C1 MCULE-7098126674 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.718 COC(=O)CSCC1=CC=CC=C1 MCULE-2601638706 [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.718 COC(=O)CSCC1=CC=CN=C1 MCULE-2466751322 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.718 COC(=O)NCCC1=CC=CC=C1 MCULE-2703941598 [0,1,0,0,0,1|2,0,0]=4 1031 B13R1.718 COC(=O)NCCC1=CC=NC=C1 MCULE-3751983564 [0,1,0,0,0,1|2,0,0]=4 1032 B13R1.718 N/C(=N/O)/CCCC1=CC=CC=C1 MCULE-7271784069 [0,1,0,0,0,1|2,0,0]=4 1033 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 MCULE-6264677212 [0,1,0,0,0,1|2,0,0]=4 1034 B13R1.718 O=C(CCCC1=CC=CC=C1)NO MCULE-9765156954 [0,1,0,0,0,1|1,0,0]=3 1035 B13R1.718 O=C(CCOC1=CC=CC=C1)NO MCULE-7323670864 [0,1,0,0,0,1|2,0,0]=4 1036 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 MCULE-4480610944 [0,1,0,0,0,1|2,0,0]=4 1037 B13R1.128 CC1=NC(=CS1)CSCCC(=O)O MCULE-7481652296 [0,1,0,0,0,1|2,0,0]=4 1038 B13R1.128 CC1=NN(C=C1)CCSCC(=O)O MCULE-6429824249 [0,1,0,0,0,1|2,0,0]=4 1039 B13R1.128 NC1=NN=C(S1)SCCCC(=O)O MCULE-5214171229 [0,1,0,0,0,1|2,0,0]=4 1040 B13R1.128 O=C(O)COCCC1=CC=C(S1)Cl MCULE-9463230959 [0,1,0,0,0,1|0,0,0]=2 1041 B13R1.167 CC1=CC=NN1CCSCC(=O)O MCULE-8151742879 [0,1,0,0,0,1|2,0,0]=4 1042 B13R1.342 C/C(=N\OCC(=O)O)/C1=CC=CS1 MCULE-5387206216 [0,1,0,0,0,1|1,0,1]=4 1043 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)O MCULE-7284039565 [0,1,0,0,0,1|1,0,0]=3 1044 B13R1.342 CC(=NOCC(=O)O)C1=CC=CS1 MCULE-9323955301 [0,1,0,0,0,1|1,0,1]=4 1045 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 MCULE-4650109824 [0,1,0,0,0,1|0,0,0]=2 1046 B13R1.342 O=C(O)CCNC(=O)C1=CC=CN1 MCULE-9685444463 [0,1,0,0,0,1|1,0,1]=4 1047 B13R1.342 O=C(O)CCNC(=O)C1=CC=CO1 MCULE-4480252309 [0,1,0,0,0,1|0,1,1]=4 1048 B13R1.342 O=C(O)CCNC(=O)C1=CC=CS1 MCULE-3158329569 [0,1,0,0,0,1|0,0,1]=3 1049 B13R1.342 O=C(O)CNCC(=O)C1=CC=CN1 MCULE-3949957853 [0,1,0,0,0,1|1,0,1]=4 1050 B13R1.342 O=C(O)CNCC(=O)C1=CC=CO1 MCULE-3532728677 [0,1,0,0,0,1|0,1,1]=4 1051 B13R1.342 O=C(O)CNCC(=O)C1=CC=CS1 MCULE-5172689496 [0,1,0,0,0,1|0,0,1]=3 1052 B13R1.342 O=C(O)CNCC(=O)C1=NC=CS1 MCULE-5167222076 [0,1,0,0,0,1|1,0,1]=4 1053 B13R1.342 O=C(O)CSCC(=O)C1=CC=CS1 MCULE-9531479167 [0,1,0,0,0,1|0,0,1]=3 1054 B13R1.344 O=C(O)CCC(=O)NC1=NC=CS1 MCULE-7325471378 [0,1,0,0,0,1|1,0,1]=4 1055 B13R1.536 CNC(=O)CCNCC1=CC=CO1 MCULE-4512693002 [0,1,0,0,0,1|1,1,0]=4 1056 B13R1.536 COC(=O)CCNCC1=CC=CO1 MCULE-1495683913 [0,1,0,0,0,1|0,1,0]=3 1057 B13R1.536 COC(=O)CCNCC1=CC=CS1 MCULE-1611849777 [0,1,0,0,0,1|0,0,0]=2 1058 B13R1.536 COC(=O)CCSCC1=CC=CO1 MCULE-8379747102 [0,1,0,0,0,1|0,1,0]=3 1059 B13R1.593 CC(=O)CC(=O)NCC1=CC=CS1 MCULE-3763933383 [0,1,0,0,0,1|1,0,1]=4 1060 B13R1.129 CC1=CC=C(S1)C(=O)CCC(=O)O MCULE-4341280661 [0,2,0,0,0,0|0,0,1]=3 1061 B13R1.129 CC1=CC=C(S1)C(=O)NCC(=O)O MCULE-5559672734 [0,2,0,0,0,0|1,0,1]=4 1062 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Br MCULE-8213129297 [0,2,0,0,0,0|0,0,1]=3 1063 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Cl MCULE-7408813509 [0,2,0,0,0,0|0,0,1]=3 1064 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Br MCULE-7915708969 [0,2,0,0,0,0|1,0,1]=4 1065 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Cl MCULE-1065253275 [0,2,0,0,0,0|1,0,1]=4 1066 B13R1.162 COC(=O)CCC(=O)C1=CC=CS1 MCULE-8779103814 [0,2,0,0,0,0|0,0,1]=3 1067 B13R1.162 COC(=O)CCC(=O)C1=NC=CS1 MCULE-5900074227 [0,2,0,0,0,0|1,0,1]=4 1068 B13R1.162 COC(=O)CNC(=O)C1=CC=CS1 MCULE-1009470311 [0,2,0,0,0,0|1,0,1]=4 1069 B13R1.168 CC1=C(SC=C1)C(=O)CCC(=O)O MCULE-2557631638 [0,2,0,0,0,0|0,0,1]=3 1070 B13R1.339 CC(NC(=O)C1=CC=CS1)C(=O)O MCULE-7096705343 [0,2,0,0,0,0|1,0,1]=4 1071 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O MCULE-3001867467 [0,2,0,0,0,0|0,0,1]=3 1072 B13R1.339 O=C(O)C(=O)CC(=O)C1=CC=CS1 MCULE-5797623406 [0,2,0,0,0,0|0,0,2]=4 1073 B13R1.340 CC(C1=NC=CS1)N(C)CC(=O)O MCULE-9814104832 [0,2,0,0,0,0|2,0,0]=4 1074 B13R1.340 CN(CC(=O)O)C(=O)C1=CC=CS1 MCULE-9642439000 [0,2,0,0,0,0|1,0,1]=4 1075 B13R1.340 O=C(O)CC(Br)C(=O)C1=CC=CS1 MCULE-8075496553 [0,2,0,0,0,0|0,0,1]=3 1076 B13R1.588 O=C(O)CNS(=O)(=O)C1=CC=CS1 MCULE-5649958636 [0,2,0,0,0,0|2,0,0]=4 1077 B13R1.717 COC(=O)CCCC1=CSC(=N1)N MCULE-9852570270 [0,2,0,0,0,0|2,0,0]=4 1078 B13R1.717 COC(=O)CCCC1=NN=C(S1)N MCULE-1045137947 [0,2,0,0,0,0|2,0,0]=4 1079 B13R1.717 COC(=O)CNCC1=CC=C(S1)Cl MCULE-8153801347 [0,2,0,0,0,0|1,0,0]=3 1080 B13R1.3424 CN(CC(=O)O)CC1=CN=C(S1)Cl MCULE-2202784139 [0,2,0,0,0,0|2,0,0]=4 1081 B13R1.3443 CC1=CN(N=C1C)CCCC(=O)O MCULE-4633387651 [0,2,0,0,0,0|2,0,0]=4 1082 B13R1.3443 CC1=NN(C=C1Br)CCCC(=O)O MCULE-5192624755 [0,2,0,0,0,0|2,0,0]=4 1083 B13R1.3443 CC1=NN(C=C1Cl)CCCC(=O)O MCULE-9146133603 [0,2,0,0,0,0|2,0,0]=4 1084 B13R1.3443 CC1=NN(C=C1I)CCCC(=O)O MCULE-1458779936 [0,2,0,0,0,0|2,0,0]=4 1085 B13R1.3443 O=C(O)CCCN1C=C(C(=N1)F)Br MCULE-6151808168 [0,2,0,0,0,0|2,0,0]=4 1086 B13R1.3443 O=C(O)CCCN1C=C(C(=N1)F)Cl MCULE-6998087277 [0,2,0,0,0,0|2,0,0]=4 1087 B13R1.3443 O=C(O)CCCN1C=C(C(=N1)F)I MCULE-2830245889 [0,2,0,0,0,0|2,0,0]=4 1088 B13R1.3485 CC1=CC(=C(S1)C)CCCC(=O)O MCULE-4443636158 [0,2,0,0,0,0|2,0,0]=4 1089 B13R1.3485 CC1=CC(=NN1CCCC(=O)O)C MCULE-2801489458 [0,2,0,0,0,0|2,0,0]=4 1090 B13R1.3485 O=C(O)CCCC1=C(SC(=C1)Cl)Cl MCULE-9247434801 [0,2,0,0,0,0|2,0,0]=4 1091 B13R1.7544 CC1=C(C=NN1CCCC(=O)O)Br MCULE-4173761693 [0,2,0,0,0,0|2,0,0]=4 1092 B13R1.7544 CC1=C(C=NN1CCCC(=O)O)Cl MCULE-2251248088 [0,2,0,0,0,0|2,0,0]=4 1093 B13R1.7544 CC1=C(C=NN1CCCC(=O)O)I MCULE-7000612640 [0,2,0,0,0,0|2,0,0]=4 1094 B13R1.282 CC1=C(SC=C1)CN(C)CC(=O)O MCULE-8288159934 [0,2,0,0,0,0|1,0,0]=3 1095 B13R1.599 COC(=O)CCSC1=C(C=CS1)N MCULE-9604599801 [0,2,0,0,0,0|1,0,0]=3 1096 B13R1.3529 CC1=CC=C(N1CCCC(=O)O)C MCULE-3608903389 [0,2,0,0,0,0|2,0,0]=4 1097 B13R1.3529 O=C(O)CCCN1C(=O)C=CC1=O MCULE-4350357503 [0,2,0,0,0,0|2,0,0]=4 1098 B13R1.545 COC(=O)C[C@H](C)SC1=CC=CS1 MCULE-1982373251 [0,2,0,0,0,0|1,0,0]=3 1099 B13R1.2007 CC(C)(CC(=O)O)CN1C=CC=N1 MCULE-4063367724 [0,2,0,0,0,0|2,0,0]=4 1100 B13R1.2007 O=C(O)CS(=O)(=O)CC1=CC=CS1 MCULE-4674642433 [0,2,0,0,0,0|1,0,0]=3 1101 B13R1.404 CCOC(=O)CCCC1=CSC=C1 MCULE-6638852506 [0,2,0,0,0,0|2,0,0]=4 1102 B13R1.404 CCOC(=O)CCCN1C=CC=N1 MCULE-3906050332 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.157 O=C(O)CC1=CC(=CC=C1)S MCULE-9429424270 [0,0,1,1,0,0|0,0,2]=4 1104 B11R1.86 O=C(O)CC1=C(C=CC=C1)S MCULE-3123903302 [0,0,1,1,0,0|0,0,2]=4 1105 B11R1.91 O=C(O)CCC1=CC=CC=C1 MCULE-1670073750 [0,0,1,1,0,0|1,0,1]=4 1106 B11R1.91 O=C(O)CCC1=CC=CC=N1 MCULE-7798422459 [0,0,1,1,0,0|1,0,1]=4 1107 B11R1.91 O=C(O)CCC1=CN=CC=C1 MCULE-9809125467 [0,0,1,1,0,0|1,0,1]=4 1108 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-3850875705 [0,0,1,1,0,0|1,0,1]=4 1109 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-7947562908 [0,0,1,1,0,0|1,0,1]=4 1110 B11R2.2 C1=CSC(=C1)C2CCCN2 MCULE-7390030447 [1,0,0,1,0,0|1,0,1]=4 1111 B11R2.2 C1=CSC(=C1)C2OCCO2 MCULE-6185312446 [1,0,0,1,0,0|1,0,1]=4 1112 B11R2.2 C1=CSC(=C1)[C@@H]2CCCN2 MCULE-3426682244 [1,0,0,1,0,0|1,0,1]=4 1113 B11R2.2 C1=CSC(=C1)[C@@H]2CCCN2 MCULE-8049793263 [1,0,0,1,0,0|1,0,1]=4 1114 B11R2.2 C1=CSC(=C1)[C@H]2CCCN2 MCULE-1408519567 [1,0,0,1,0,0|1,0,1]=4 1115 B11R2.2 C1=CSC(=C1)[C@H]2CCCN2 MCULE-8653675824 [1,0,0,1,0,0|1,0,1]=4 1116 B11R2.18 C1=CC2=C(S1)CCCCN2 MCULE-4722847589 [1,0,0,1,0,0|1,0,1]=4 1117 B11R2.18 C1=CC2=C(S1)CCCCN2 MCULE-5093220705 [1,0,0,1,0,0|1,0,1]=4 1118 B11R2.18 C1=CC2=C(S1)CCCNC2 MCULE-2421873407 [1,0,0,1,0,0|2,0,0]=4 1119 B11R2.18 C1=CC2=C(S1)CCCNC2 MCULE-7560527590 [1,0,0,1,0,0|2,0,0]=4 1120 B11R2.32 NCC1CC1C2=CC=CS2 MCULE-5032416579 [1,0,0,1,0,0|1,0,1]=4 1121 B11R2.32 NCC1CC1C2=CC=CS2 MCULE-5910966135 [1,0,0,1,0,0|1,0,1]=4 1122 B11R2.32 OCC1CC1C2=CC=CS2 MCULE-7016226971 [1,0,0,1,0,0|0,0,1]=3 1123 B11R2.106 NC1CCCC2=C1C=CS2 MCULE-3769916268 [1,0,0,1,0,0|1,0,1]=4 1124 B11R2.106 O=C1CCCC2=C1C=CN2 MCULE-7894088670 [1,0,0,1,0,0|1,0,0]=3 1125 B11R2.106 O=C1CCCC2=C1C=CO2 MCULE-3587409779 [1,0,0,1,0,0|0,1,0]=3 1126 B11R2.106 O=C1CCCC2=C1C=CS2 MCULE-3656781441 [1,0,0,1,0,0|0,0,0]=2 1127 B11R2.106 O=C1CCCC2=C1C=NN2 MCULE-6213443326 [1,0,0,1,0,0|2,0,0]=4 1128 B11R2.106 O=C1CCCC2=C1C=NO2 MCULE-7551771651 [1,0,0,1,0,0|1,1,0]=4 1129 B11R2.106 O=C1CCCC2=C1N=CN2 MCULE-3813250169 [1,0,0,1,0,0|2,0,0]=4 1130 B11R2.106 O=C1CCCC2=C1N=CS2 MCULE-1467235178 [1,0,0,1,0,0|1,0,0]=3 1131 B11R2.106 O=C1CCCC2=C1NC=C2 MCULE-3701981677 [1,0,0,1,0,0|2,0,0]=4 1132 B11R2.106 O=C1CCCC2=C1OC=C2 MCULE-2864160570 [1,0,0,1,0,0|2,0,0]=4 1133 B11R2.106 O=C1CCCC2=C1SC=C2 MCULE-7284338598 [1,0,0,1,0,0|2,0,0]=4 1134 B11R2.106 O=C1CCCC2=C1SC=N2 MCULE-2980948001 [1,0,0,1,0,0|2,0,0]=4 1135 B11R2.106 O=C1CCCC2=CC=NN12 MCULE-6221634267 [1,0,0,1,0,0|2,0,0]=4 1136 B11R2.106 O=C1CCCC2=CNC=C12 MCULE-2812657221 [1,0,0,1,0,0|2,0,0]=4 1137 B11R2.106 O=C1CCCN2C1=CC=C2 MCULE-5659837451 [1,0,0,1,0,0|2,0,0]=4 1138 B11R2.106 O=C1CCCN2C1=CC=N2 MCULE-3992397005 [1,0,0,1,0,0|2,0,0]=4 1139 B11R2.106 O=C1CCSC2=C1C=CS2 MCULE-2265347248 [1,0,0,1,0,0|1,0,0]=3 1140 B11R2.106 O=C1COCC2=C1C=CN2 MCULE-9879654293 [1,0,0,1,0,0|2,0,0]=4 1141 B11R2.106 O=C1CSCC2=C1C=CO2 MCULE-4602483492 [1,0,0,1,0,0|1,1,0]=4 1142 B11R2.106 O=C1NCCC2=C1C=CN2 MCULE-4764689303 [1,0,0,1,0,0|2,0,0]=4 1143 B11R2.106 O=C1NCCC2=C1C=CO2 MCULE-9055949330 [1,0,0,1,0,0|1,1,0]=4 1144 B11R2.106 O=C1NCCC2=C1C=CS2 MCULE-1700501097 [1,0,0,1,0,0|1,0,0]=3 1145 B11R2.106 OC1CCCC2=C1C=CN2 MCULE-9650546791 [1,0,0,1,0,0|1,0,1]=4 1146 B11R2.106 OC1CCCC2=C1C=CO2 MCULE-2903787701 [1,0,0,1,0,0|0,1,1]=4 1147 B11R2.237 C1=CSC(=C1)CC2CNC2 MCULE-1002939781 [1,0,0,1,0,0|2,0,0]=4 1148 B11R2.237 C1=CSC(=C1)CC2CNC2 MCULE-2384621796 [1,0,0,1,0,0|2,0,0]=4 1149 B11R2.36 O=C1CCC2=C(C1)C=CN2 MCULE-4113637130 [0,0,0,1,1,0|2,0,0]=4 1150 B11R2.36 O=C1CCC2=C(C1)C=CS2 MCULE-9504436564 [0,0,0,1,1,0|1,0,0]=3 1151 B13R2.10 O=C1CCC(C1)C2=CC=CC=C2 MCULE-4427115430 [0,0,0,1,0,1|2,0,0]=4 1152 B13R2.10 O=C1CCC(C1)C2=CC=CC=N2 MCULE-4636927810 [0,0,0,1,0,1|2,0,0]=4 1153 B13R2.10 O=C1CCC(C1)C2=CC=NC=C2 MCULE-2451726949 [0,0,0,1,0,1|2,0,0]=4 1154 B13R2.10 O=C1CCC(N1)C2=CC=CC=C2 MCULE-7282815024 [0,0,0,1,0,1|2,0,0]=4 1155 B13R2.10 O=C1CCC(N1)C2=CC=CN=C2 MCULE-3377743615 [0,0,0,1,0,1|2,0,0]=4 1156 B13R2.10 O=C1CCC(N1)C2=CC=NC=C2 MCULE-8597480826 [0,0,0,1,0,1|2,0,0]=4 1157 B13R2.10 O=C1CCC(N1)C2=NC=CC=C2 MCULE-1909101406 [0,0,0,1,0,1|2,0,0]=4 1158 B13R2.10 O=C1CCC(O1)C2=CC=CC=C2 MCULE-6101647211 [0,0,0,1,0,1|1,0,0]=3 1159 B13R2.10 O=C1CC[C@@H](C1)C2=CC=CC=C2 MCULE-7086920022 [0,0,0,1,0,1|2,0,0]=4 1160 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CC=C2 MCULE-6889580149 [0,0,0,1,0,1|2,0,0]=4 1161 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CC=C2 MCULE-9790800829 [0,0,0,1,0,1|2,0,0]=4 1162 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CN=C2 MCULE-3240905315 [0,0,0,1,0,1|2,0,0]=4 1163 B13R2.10 O=C1CC[C@@H](N1)C2=CC=NC=C2 MCULE-6746128430 [0,0,0,1,0,1|2,0,0]=4 1164 B13R2.10 O=C1CC[C@@H](N1)C2=NC=CC=C2 MCULE-5482559448 [0,0,0,1,0,1|2,0,0]=4 1165 B13R2.10 O=C1CC[C@H](C1)C2=CC=CC=C2 MCULE-6855815517 [0,0,0,1,0,1|2,0,0]=4 1166 B13R2.10 O=C1CC[C@H](C1)C2=CC=CC=C2 MCULE-9485418233 [0,0,0,1,0,1|2,0,0]=4 1167 B13R2.10 O=C1CC[C@H](N1)C2=CC=CC=C2 MCULE-7025551195 [0,0,0,1,0,1|2,0,0]=4 1168 B13R2.10 O=C1CC[C@H](N1)C2=CC=CC=C2 MCULE-9391776347 [0,0,0,1,0,1|2,0,0]=4 1169 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 MCULE-4885018228 [0,0,0,1,0,1|2,0,0]=4 1170 B13R2.10 O=C1CC[C@H](N1)C2=CC=NC=C2 MCULE-7162307035 [0,0,0,1,0,1|2,0,0]=4 1171 B13R2.10 O=C1CC[C@H](N1)C2=NC=CC=C2 MCULE-5028212834 [0,0,0,1,0,1|2,0,0]=4 1172 B13R2.10 O=C1CSC(O1)C2=CC=CC=C2 MCULE-7084855936 [0,0,0,1,0,1|2,0,0]=4 1173 B13R2.10 O=C1NCC(O1)C2=CC=CC=C2 MCULE-8680093536 [0,0,0,1,0,1|2,0,0]=4 1174 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 MCULE-8279914603 [0,0,0,1,0,1|2,0,0]=4 1175 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 MCULE-3530929459 [0,0,0,1,0,1|2,0,0]=4 1176 B13R2.10 O=C1OCC(O1)C2=CC=CC=C2 MCULE-1457949336 [0,0,0,1,0,1|2,0,0]=4 1177 B13R2.10 [C@H]1(CNC(=O)O1)C2=CC=CC=C2 MCULE-1949587108 [0,0,0,1,0,1|2,0,0]=4 1178 B13R2.31 O=C1CC(C1)CC2=CC=CC=C2 MCULE-1152071589 [0,0,0,1,0,1|2,0,0]=4 1179 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 MCULE-7067577200 [0,0,0,1,0,1|2,0,0]=4 1180 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 MCULE-1034012078 [0,0,0,1,0,1|2,0,0]=4 1181 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 MCULE-1442501488 [0,0,0,1,0,1|1,0,0]=3 1182 B13R2.72 O=C(O)C1CCC2=C1N=CC=C2 MCULE-7407946553 [0,0,0,1,0,1|1,0,0]=3 1183 B13R2.72 O=C(O)C1CCC2=CC=CN=C12 MCULE-2888841173 [0,0,0,1,0,1|1,0,0]=3 1184 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 MCULE-9569963908 [0,0,0,1,0,1|2,0,0]=4 1185 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 MCULE-9785577019 [0,0,0,1,0,1|2,0,0]=4 1186 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 MCULE-6837281844 [0,0,0,1,0,1|2,0,0]=4 1187 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 MCULE-8983599489 [0,0,0,1,0,1|2,0,0]=4 1188 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 MCULE-1270001687 [0,0,0,1,0,1|2,0,0]=4 1189 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 MCULE-6289019930 [0,0,0,1,0,1|2,0,0]=4 1190 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 MCULE-8803578037 [0,0,0,1,0,1|2,0,0]=4 1191 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 MCULE-9174929602 [0,0,0,1,0,1|2,0,0]=4 1192 B13R2.72 O=C(O)C1OCC2=CC=CC=C12 MCULE-9427746734 [0,0,0,1,0,1|2,0,0]=4 1193 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 MCULE-3627673300 [0,0,0,1,0,1|1,0,0]=3 1194 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 MCULE-4928688805 [0,0,0,1,0,1|2,0,0]=4 1195 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 MCULE-5224766558 [0,0,0,1,0,1|2,0,0]=4 1196 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 MCULE-9600782281 [0,0,0,1,0,1|2,0,0]=4 1197 B13R2.72 O=C(O)[C@@H]1NCC2=CC=CC=C12 MCULE-8445784369 [0,0,0,1,0,1|2,0,0]=4 1198 B13R2.72 O=C(O)[C@H]1CCC2=C1C=CC=C2 MCULE-6657691413 [0,0,0,1,0,1|1,0,0]=3 1199 B13R2.72 O=C(O)[C@H]1CCC2=C1C=CC=C2 MCULE-8230693766 [0,0,0,1,0,1|1,0,0]=3 1200 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 MCULE-6086902626 [0,0,0,1,0,1|2,0,0]=4 1201 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 MCULE-7813267241 [0,0,0,1,0,1|2,0,0]=4 1202 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 MCULE-8329609567 [0,0,0,1,0,1|2,0,0]=4 1203 B13R2.72 O=C(O)[C@H]1NCC2=CC=CC=C12 MCULE-3992377744 [0,0,0,1,0,1|2,0,0]=4 1204 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 MCULE-8809474321 [0,0,0,1,0,1|2,0,0]=4 1205 B13R2.163 O=C1CCCC2=C(O1)C=CC=C2 MCULE-8150469050 [0,0,0,1,0,1|1,0,0]=3 1206 B13R2.163 O=C1CCCC2=CC=CC=C2N1 MCULE-9063859487 [0,0,0,1,0,1|2,0,0]=4 1207 B13R2.163 O=C1CCCC2=CC=CN=C2N1 MCULE-1861730036 [0,0,0,1,0,1|2,0,0]=4 1208 B13R2.163 O=C1CCCC2=NC=CC=C2N1 MCULE-9371626573 [0,0,0,1,0,1|2,0,0]=4 1209 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 MCULE-1635473880 [0,0,0,1,0,1|2,0,0]=4 1210 B13R2.423 NC(=O)C1CC1C2=CC=CC=C2 MCULE-9910333197 [0,0,0,1,0,1|2,0,0]=4 1211 B13R2.423 O=C(Cl)C1CC1C2=CC=CC=C2 MCULE-3532716373 [0,0,0,1,0,1|2,0,0]=4 1212 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-1990899747 [0,0,0,1,0,1|2,0,0]=4 1213 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-4561409348 [0,0,0,1,0,1|2,0,0]=4 1214 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 MCULE-5668118134 [0,0,0,1,0,1|2,0,0]=4 1215 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 MCULE-7590381032 [0,0,0,1,0,1|2,0,0]=4 1216 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 MCULE-4945206002 [0,0,0,1,0,1|1,0,0]=3 1217 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 MCULE-8765058862 [0,0,0,1,0,1|1,0,0]=3 1218 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 MCULE-6747176716 [0,0,0,1,0,1|1,0,0]=3 1219 B13R2.423 O=C(O)C1CC1C2=CN=CN=C2 MCULE-3291841753 [0,0,0,1,0,1|2,0,0]=4 1220 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 MCULE-2503142172 [0,0,0,1,0,1|1,0,0]=3 1221 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 MCULE-7309493546 [0,0,0,1,0,1|1,0,0]=3 1222 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 MCULE-3727767896 [0,0,0,1,0,1|2,0,0]=4 1223 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-2192210615 [0,0,0,1,0,1|1,0,0]=3 1224 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-2860569521 [0,0,0,1,0,1|1,0,0]=3 1225 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-3348394121 [0,0,0,1,0,1|1,0,0]=3 1226 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CN=C2 MCULE-3563109221 [0,0,0,1,0,1|1,0,0]=3 1227 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=NC=C2 MCULE-1071043360 [0,0,0,1,0,1|1,0,0]=3 1228 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-3210600666 [0,0,0,1,0,1|1,0,0]=3 1229 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-4561189919 [0,0,0,1,0,1|1,0,0]=3 1230 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-5985179860 [0,0,0,1,0,1|1,0,0]=3 1231 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CN=C2 MCULE-3365548011 [0,0,0,1,0,1|1,0,0]=3 1232 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 MCULE-6694994521 [0,0,0,1,0,1|1,0,0]=3 1233 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 MCULE-8962848406 [0,0,0,1,0,1|1,0,0]=3 1234 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 MCULE-3559760636 [0,0,0,1,0,1|1,0,0]=3 1235 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 MCULE-2212295857 [0,0,0,1,0,1|1,0,0]=3 1236 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 MCULE-9141439188 [0,0,0,1,0,1|1,0,0]=3 1237 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 MCULE-9297304063 [0,0,0,1,0,1|1,0,0]=3 1238 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 MCULE-1690730677 [0,0,0,1,0,1|1,0,0]=3 1239 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 MCULE-6690615833 [0,0,0,1,0,1|1,0,0]=3 1240 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CN=C2 MCULE-1846240858 [0,0,0,1,0,1|1,0,0]=3 1241 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 MCULE-6745455131 [0,0,0,1,0,1|1,0,0]=3 1242 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 MCULE-8927910799 [0,0,0,1,0,1|1,0,0]=3 1243 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 MCULE-9920469869 [0,0,0,1,0,1|1,0,0]=3 1244 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 MCULE-5798113353 [0,0,0,1,0,1|1,0,0]=3 1245 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 MCULE-8864424633 [0,0,0,1,0,1|1,0,0]=3 1246 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 MCULE-1673792789 [0,0,0,1,0,1|1,0,0]=3 1247 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 MCULE-6444612585 [0,0,0,1,0,1|1,0,0]=3 1248 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=NC=C2 MCULE-3545210917 [0,0,0,1,0,1|1,0,0]=3 1249 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=NC=C2 MCULE-5265348026 [0,0,0,1,0,1|1,0,0]=3 1250 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=NC=C2 MCULE-8461287952 [0,0,0,1,0,1|1,0,0]=3 1251 B13R2.142 O=C1CSC(=N1)CC2=CC=CS2 MCULE-6534223101 [0,0,0,1,0,1|1,0,1]=4 1252 B13R2.218 O=C1CCCCC2=C(N1)C=CS2 MCULE-6313901412 [0,0,0,1,0,1|1,0,0]=3 1253 B13R2.5569 O=C(O)C1CCCC2=C1C=CS2 MCULE-1306584655 [0,0,0,1,0,1|0,0,0]=2 1254 B13R2.5569 O=C(O)C1CCCC2=C1N=CN2 MCULE-1176811564 [0,0,0,1,0,1|2,0,0]=4 1255 B13R2.5569 O=C(O)C1CCCC2=C1N=CN2 MCULE-2609725953 [0,0,0,1,0,1|2,0,0]=4 1256 B13R2.5569 O=C(O)C1CCCC2=CC=NN12 MCULE-8852796302 [0,0,0,1,0,1|2,0,0]=4 1257 B13R2.5569 O=C(O)C1CCCC2=CN=CN12 MCULE-6876294234 [0,0,0,1,0,1|2,0,0]=4 1258 B13R2.5569 O=C(O)C1CCCN2C1=CC=N2 MCULE-5515379200 [0,0,0,1,0,1|2,0,0]=4 1259 B13R2.5569 O=C(O)C1NCCC2=C1C=CN2 MCULE-2665429701 [0,0,0,1,0,1|1,0,0]=3 1260 B13R2.5569 O=C(O)C1NCCC2=C1C=CO2 MCULE-1649848116 [0,0,0,1,0,1|0,1,0]=3 1261 B13R2.5569 O=C(O)C1NCCC2=C1C=CO2 MCULE-7101432602 [0,0,0,1,0,1|0,1,0]=3 1262 B13R2.5569 O=C(O)C1NCCC2=C1C=CS2 MCULE-5189097194 [0,0,0,1,0,1|0,0,0]=2 1263 B13R2.5569 O=C(O)C1NCCC2=C1C=CS2 MCULE-6387255970 [0,0,0,1,0,1|0,0,0]=2 1264 B13R2.5569 O=C(O)C1NCCC2=C1NC=N2 MCULE-4112050520 [0,0,0,1,0,1|2,0,0]=4 1265 B13R2.5569 O=C(O)C1NCCC2=C1NC=N2 MCULE-8785783152 [0,0,0,1,0,1|2,0,0]=4 1266 B13R2.5569 O=C(O)C1NCCC2=C1SC=C2 MCULE-8071674898 [0,0,0,1,0,1|2,0,0]=4 1267 B13R2.5569 O=C(O)C1NCCC2=C1SC=C2 MCULE-8294022741 [0,0,0,1,0,1|2,0,0]=4 1268 B13R2.5569 O=C(O)C1NCCN2C1=CC=C2 MCULE-1655969524 [0,0,0,1,0,1|2,0,0]=4 1269 B13R2.5569 O=C(O)C1SCCC2=C1C=CS2 MCULE-5779272682 [0,0,0,1,0,1|0,0,0]=2 1270 B13R2.12 O=C1CCC(=NN1)C2=CC=CS2 MCULE-4226309476 [0,1,0,1,0,0|1,0,1]=4 1271 B13R2.12 O=C1COC(CN1)C2=CC=CS2 MCULE-1963248492 [0,1,0,1,0,0|1,0,0]=3 1272 B13R2.166 O=C1CCC(=O)C2=C(N1)C=CS2 MCULE-7845223010 [0,1,0,1,0,0|1,0,1]=4 1273 B13R2.5511 CC1(CC1C(=O)O)C2=CC=CS2 MCULE-3074951897 [0,1,0,1,0,0|0,0,0]=2 1274 B13R2.11 CC1=CC=C(S1)[C@@H]2CNC(=O)N2 MCULE-8134631101 [0,1,0,1,0,0|2,0,0]=4 1275 B13R2.11 CC1=CC=C(S1)[C@@H]2COC(=O)N2 MCULE-2832970128 [0,1,0,1,0,0|2,0,0]=4 1276 B13R2.11 CC1=CC=C(S1)[C@H]2CNC(=O)N2 MCULE-4611301059 [0,1,0,1,0,0|2,0,0]=4 1277 B13R2.11 CC1=CC=C(S1)[C@H]2COC(=O)N2 MCULE-1352759869 [0,1,0,1,0,0|2,0,0]=4 1278 B13R2.11 O=C1CC(CN1)C2=CC=C(S2)Br MCULE-6082808391 [0,1,0,1,0,0|2,0,0]=4 1279 B13R2.11 O=C1NC(CO1)C2=CC(=CS2)Br MCULE-2288203534 [0,1,0,1,0,0|2,0,0]=4 1280 B13R2.11 O=C1NC[C@@H](N1)C2=CC(=CS2)Br MCULE-4537078676 [0,1,0,1,0,0|2,0,0]=4 1281 B13R2.11 O=C1NC[C@@H](N1)C2=CC=C(S2)Br MCULE-6475013906 [0,1,0,1,0,0|2,0,0]=4 1282 B13R2.11 O=C1NC[C@@H](N1)C2=CC=C(S2)Cl MCULE-4938471230 [0,1,0,1,0,0|2,0,0]=4 1283 B13R2.11 O=C1NC[C@H](N1)C2=CC(=CS2)Br MCULE-2371062941 [0,1,0,1,0,0|2,0,0]=4 1284 B13R2.11 O=C1NC[C@H](N1)C2=CC=C(S2)Br MCULE-7275608867 [0,1,0,1,0,0|2,0,0]=4 1285 B13R2.11 O=C1NC[C@H](N1)C2=CC=C(S2)Cl MCULE-7845221187 [0,1,0,1,0,0|2,0,0]=4 1286 B13R2.11 O=C1N[C@@H](CO1)C2=CC(=CS2)Br MCULE-2434614404 [0,1,0,1,0,0|2,0,0]=4 1287 B13R2.11 O=C1N[C@@H](CO1)C2=CC=C(S2)Br MCULE-1238780111 [0,1,0,1,0,0|2,0,0]=4 1288 B13R2.11 O=C1N[C@@H](CO1)C2=CC=C(S2)Cl MCULE-9624744097 [0,1,0,1,0,0|2,0,0]=4 1289 B13R2.11 O=C1N[C@H](CO1)C2=CC(=CS2)Br MCULE-4047862967 [0,1,0,1,0,0|2,0,0]=4 1290 B13R2.11 O=C1N[C@H](CO1)C2=CC=C(S2)Br MCULE-4710958546 [0,1,0,1,0,0|2,0,0]=4 1291 B13R2.11 O=C1N[C@H](CO1)C2=CC=C(S2)Cl MCULE-6643177070 [0,1,0,1,0,0|2,0,0]=4 1292 B13R2.2978 CC(=O)C1CC1C2=CC=C(O2)C MCULE-7267848733 [0,1,0,1,0,0|1,1,0]=4 1293 B13R2.2978 CC(=O)C1CC1C2=CC=C(S2)C MCULE-2023687467 [0,1,0,1,0,0|1,0,0]=3 1294 B13R2.2978 CC(=O)C1CC1C2=CC=C(S2)Cl MCULE-9546793913 [0,1,0,1,0,0|1,0,0]=3 1295 B13R2.2978 CC1=CC=C(O1)C2CC2C(=O)O MCULE-5556917355 [0,1,0,1,0,0|0,1,0]=3 1296 B13R2.2978 CC1=CC=C(S1)C2CC2C(=O)O MCULE-3542602957 [0,1,0,1,0,0|0,0,0]=2 1297 B13R2.2978 CN1C=CC(=N1)C2CC2C(=O)O MCULE-3896500642 [0,1,0,1,0,0|2,0,0]=4 1298 B13R2.2978 O=C(O)C1CC1C2=CC=C(S2)Br MCULE-9106706471 [0,1,0,1,0,0|0,0,0]=2 1299 B13R2.2978 O=C(O)C1CC1C2=CC=C(S2)Cl MCULE-6077816270 [0,1,0,1,0,0|0,0,0]=2 1300 B13R2.2978 O=C(O)C1CC1C2=CSC(=C2)Br MCULE-3192346051 [0,1,0,1,0,0|2,0,0]=4 1301 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CC(=CS2)Br MCULE-6050364181 [0,1,0,1,0,0|0,0,0]=2 1302 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CC=C(S2)Cl MCULE-4610301915 [0,1,0,1,0,0|0,0,0]=2 1303 B13R2.2978 O=C(O)[C@H]1C[C@@H]1C2=CC=C(S2)Br MCULE-8420379838 [0,1,0,1,0,0|0,0,0]=2 1304 B13R2.2978 O=C(O)[C@H]1C[C@@H]1C2=CC=C(S2)Br MCULE-9456353243 [0,1,0,1,0,0|0,0,0]=2 1305 B13R2.2978 [C@H]1(C[C@H]1C2=CC=C(S2)Br)C(=O)O MCULE-7259374248 [0,1,0,1,0,0|0,0,0]=2 1306 B13R2.3335 CC1=NC2=C(S1)CCC2C(=O)O MCULE-3305990629 [0,1,0,1,0,0|1,0,0]=3 1307 B13R2.3335 NC1=NC2=C(S1)CCC2C(=O)O MCULE-5899109000 [0,1,0,1,0,0|1,0,0]=3 1308 B13R2.144 CC1=C(SC=C1)[C@@H]2CNC(=O)N2 MCULE-8925857462 [0,1,0,1,0,0|2,0,0]=4 1309 B13R2.144 CC1=C(SC=C1)[C@@H]2COC(=O)N2 MCULE-7287721056 [0,1,0,1,0,0|2,0,0]=4 1310 B13R2.144 CC1=C(SC=C1)[C@H]2CNC(=O)N2 MCULE-2477348471 [0,1,0,1,0,0|2,0,0]=4 1311 B13R2.144 CC1=C(SC=C1)[C@H]2COC(=O)N2 MCULE-4006714549 [0,1,0,1,0,0|2,0,0]=4 1312 B13R2.144 O=C1NC[C@@H](N1)C2=C(C=CS2)Br MCULE-2429923430 [0,1,0,1,0,0|2,0,0]=4 1313 B13R2.144 O=C1NC[C@@H](N1)C2=C(C=CS2)Cl MCULE-6823179281 [0,1,0,1,0,0|2,0,0]=4 1314 B13R2.144 O=C1NC[C@H](N1)C2=C(C=CS2)Br MCULE-1771486450 [0,1,0,1,0,0|2,0,0]=4 1315 B13R2.144 O=C1NC[C@H](N1)C2=C(C=CS2)Cl MCULE-6888488245 [0,1,0,1,0,0|2,0,0]=4 1316 B13R2.144 O=C1N[C@@H](CO1)C2=C(C=CS2)Br MCULE-9141430180 [0,1,0,1,0,0|2,0,0]=4 1317 B13R2.144 O=C1N[C@@H](CO1)C2=C(C=CS2)Cl MCULE-8152884151 [0,1,0,1,0,0|2,0,0]=4 1318 B13R2.144 O=C1N[C@H](CO1)C2=C(C=CS2)Br MCULE-7732738347 [0,1,0,1,0,0|2,0,0]=4 1319 B13R2.144 O=C1N[C@H](CO1)C2=C(C=CS2)Cl MCULE-9266608867 [0,1,0,1,0,0|2,0,0]=4 1320 B13R2.430 O=C(O)C1CCC2=C(C1)C=NN2 MCULE-5889735566 [0,1,0,1,0,0|2,0,0]=4 1321 B13R2.430 O=C(O)C1CCC2=C(C1)N=CN2 MCULE-2502266097 [0,1,0,1,0,0|2,0,0]=4 1322 B13R2.430 O=C(O)C1CCC2=C(C1)N=CN2 MCULE-3060898750 [0,1,0,1,0,0|2,0,0]=4 1323 B13R2.430 O=C(O)C1CCC2=C(C1)NC=N2 MCULE-9754340299 [0,1,0,1,0,0|2,0,0]=4 1324 B13R2.430 O=C(O)C1CCC2=C(C1)OC=C2 MCULE-3753424495 [0,1,0,1,0,0|2,0,0]=4 1325 B13R2.430 O=C(O)C1CCC2=CC=NN2C1 MCULE-4139372447 [0,1,0,1,0,0|2,0,0]=4 1326 B13R2.430 O=C(O)C1CCC2=CN=CN2C1 MCULE-3102985110 [0,1,0,1,0,0|2,0,0]=4 1327 B13R2.430 O=C(O)C1CCC2=CN=CN2C1 MCULE-5865264817 [0,1,0,1,0,0|2,0,0]=4 1328 B13R2.430 O=C(O)C1CCC2=NC=CN2C1 MCULE-4154743622 [0,1,0,1,0,0|2,0,0]=4 1329 B13R2.430 O=C(O)C1CCC2=NC=CN2C1 MCULE-7744892800 [0,1,0,1,0,0|2,0,0]=4 1330 B13R2.430 O=C(O)C1CCN2N=CC=C2C1 MCULE-9148389249 [0,1,0,1,0,0|2,0,0]=4 1331 B13R2.3437 CC1=C(SC=C1)[C@H]2C[C@H]2C(=O)O MCULE-1052831728 [0,1,0,1,0,0|0,0,0]=2 1332 B13R2.3437 CN1C=CC=C1C2CC2C(=O)O MCULE-4282999741 [0,1,0,1,0,0|1,0,0]=3 1333 B13R2.3437 CN1N=CC=C1C2CC2C(=O)O MCULE-1747839506 [0,1,0,1,0,0|2,0,0]=4 1334 B13R2.3437 CN1N=CC=C1[C@@H]2C[C@H]2C(=O)O MCULE-3085719771 [0,1,0,1,0,0|2,0,0]=4 1335 B13R2.4666 CC1CC(=O)NC1C2=CC=CO2 MCULE-4915467746 [0,1,0,1,0,0|1,1,0]=4 1336 B13R2.4666 C[C@H]1CC(=O)NC1C2=CC=CO2 MCULE-9569788278 [0,1,0,1,0,0|1,1,0]=4 1337 B13R2.5590 NC1(CC1C2=CC=CO2)C(=O)O MCULE-5497906551 [0,1,0,1,0,0|0,1,0]=3 1338 B13R2.5590 NC1(CC1C2=CC=CS2)C(=O)O MCULE-2058019854 [0,1,0,1,0,0|0,0,0]=2 1339 B13R2.2565 NCC1(CCCC2=C1C=CS2)O MCULE-4466652505 [0,1,0,1,0,0|1,0,1]=4 1340 B9R1.13 C1=NC(=CS1)CC(=O)O MCULE-1238453262 [0,0,0,0,2,0|2,0,0]=4 1341 B9R1.13 C=C(Br)CC1=CC=CS1 MCULE-4173578387 [0,0,0,0,2,0|2,0,0]=4 1342 B9R1.13 C=C(C)CC1=CC=CS1 MCULE-7442921300 [0,0,0,0,2,0|2,0,0]=4 1343 B9R1.13 C=C(Cl)CC1=CC=CS1 MCULE-7939948941 [0,0,0,0,2,0|2,0,0]=4 1344 B9R1.13 CC(=O)CC1=CC=CO1 MCULE-3781634843 [0,0,0,0,2,0|1,1,0]=4 1345 B9R1.13 CC(=O)CC1=CC=CS1 MCULE-9004703203 [0,0,0,0,2,0|1,0,0]=3 1346 B9R1.13 CC(=O)CC1=CN=CS1 MCULE-8783347852 [0,0,0,0,2,0|2,0,0]=4 1347 B9R1.13 CC(=O)NC1=CC=CS1 MCULE-2977108636 [0,0,0,0,2,0|2,0,0]=4 1348 B9R1.13 N=C(N)CC1=CC=CS1 MCULE-6269778112 [0,0,0,0,2,0|2,0,0]=4 1349 B9R1.13 N=C(N)CC1=CC=CS1 MCULE-7350630491 [0,0,0,0,2,0|2,0,0]=4 1350 B9R1.13 NC(=O)CC1=CC=CS1 MCULE-6510920095 [0,0,0,0,2,0|1,0,0]=3 1351 B9R1.13 NC(=S)CC1=CC=CS1 MCULE-6485403231 [0,0,0,0,2,0|1,1,0]=4 1352 B9R1.13 O=C(Cl)CC1=CC=CO1 MCULE-9542407975 [0,0,0,0,2,0|1,1,0]=4 1353 B9R1.13 O=C(Cl)CC1=CC=CS1 MCULE-3077784578 [0,0,0,0,2,0|1,0,0]=3 1354 B9R1.13 O=C(O)CC1=CC=CN1 MCULE-7285438888 [0,0,0,0,2,0|1,0,0]=3 1355 B9R1.13 O=C(O)CC1=CC=CO1 MCULE-8441709842 [0,0,0,0,2,0|0,1,0]=3 1356 B9R1.13 O=C(O)CC1=CC=CS1 MCULE-7149489344 [0,0,0,0,2,0|0,0,0]=2 1357 B9R1.13 O=C(O)CC1=CC=NN1 MCULE-6168707042 [0,0,0,0,2,0|2,0,0]=4 1358 B9R1.13 O=C(O)CC1=CC=NN1 MCULE-7841552779 [0,0,0,0,2,0|2,0,0]=4 1359 B9R1.13 O=C(O)CC1=CC=NO1 MCULE-1530103657 [0,0,0,0,2,0|1,1,0]=4 1360 B9R1.13 O=C(O)CC1=CC=NS1 MCULE-3265054261 [0,0,0,0,2,0|1,0,0]=3 1361 B9R1.13 O=C(O)CC1=CN=CN1 MCULE-4462983491 [0,0,0,0,2,0|2,0,0]=4 1362 B9R1.13 O=C(O)CC1=CN=CO1 MCULE-6840081660 [0,0,0,0,2,0|1,1,0]=4 1363 B9R1.13 O=C(O)CC1=CN=CS1 MCULE-1649938849 [0,0,0,0,2,0|1,0,0]=3 1364 B9R1.13 O=C(O)CC1=CN=NS1 MCULE-5313238952 [0,0,0,0,2,0|2,0,0]=4 1365 B9R1.13 O=C(O)CC1=CNC=C1 MCULE-4117122327 [0,0,0,0,2,0|2,0,0]=4 1366 B9R1.13 O=C(O)CC1=CNC=N1 MCULE-7235823721 [0,0,0,0,2,0|2,0,0]=4 1367 B9R1.13 O=C(O)CC1=COC=C1 MCULE-9657437511 [0,0,0,0,2,0|2,0,0]=4 1368 B9R1.13 O=C(O)CC1=COC=N1 MCULE-5978349363 [0,0,0,0,2,0|2,0,0]=4 1369 B9R1.13 O=C(O)CC1=CSC=C1 MCULE-7786560221 [0,0,0,0,2,0|2,0,0]=4 1370 B9R1.13 O=C(O)CC1=CSC=N1 MCULE-1276507774 [0,0,0,0,2,0|2,0,0]=4 1371 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-1533615515 [0,0,0,0,2,0|2,0,0]=4 1372 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-2788600729 [0,0,0,0,2,0|2,0,0]=4 1373 B9R1.13 O=C(O)CC1=NC=CS1 MCULE-7224650776 [0,0,0,0,2,0|1,0,0]=3 1374 B9R1.13 O=C(O)CC1=NOC=C1 MCULE-9033104587 [0,0,0,0,2,0|2,0,0]=4 1375 B9R1.13 O=C(O)CN1C=CC=C1 MCULE-2328864169 [0,0,0,0,2,0|2,0,0]=4 1376 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-6841999657 [0,0,0,0,2,0|2,0,0]=4 1377 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-7124185827 [0,0,0,0,2,0|2,0,0]=4 1378 B9R1.13 O=C([O-])CC1=NC=CS1 MCULE-3854476450 [0,0,0,0,2,0|1,0,1]=4 1379 B11R1.28 C=CCCCC1=CC=CC=C1 MCULE-5260978254 [1,0,0,0,0,1|2,0,0]=4 1380 B11R1.28 O=CCCCC1=CC=CC=C1 MCULE-3576210930 [1,0,0,0,0,1|1,0,0]=3 1381 B11R1.28 O=CCCCC1=CC=CN=C1 MCULE-3138480126 [1,0,0,0,0,1|1,0,0]=3 1382 B11R1.28 O=CCCOC1=CC=CC=C1 MCULE-3969849914 [1,0,0,0,0,1|2,0,0]=4 1383 B11R1.28 O=CCOCC1=CC=CC=C1 MCULE-2981547830 [1,0,0,0,0,1|2,0,0]=4 1384 B11R1.28 O=CCSCC1=CC=CC=C1 MCULE-4776696730 [1,0,0,0,0,1|2,0,0]=4 1385 B11R1.28 O=CNCCC1=CC=CC=C1 MCULE-4325229126 [1,0,0,0,0,1|2,0,0]=4 1386 B11R1.28 O=COCCC1=CC=CC=C1 MCULE-5214185621 [1,0,0,0,0,1|2,0,0]=4 1387 B11R1.28 OCCCCC1=CC=CC=C1 MCULE-2245500822 [1,0,0,0,0,1|1,0,1]=4 1388 B11R1.28 OCCCCC1=CC=CN=C1 MCULE-2205588715 [1,0,0,0,0,1|1,0,1]=4 1389 B11R1.28 OCCCCC1=CC=NC=C1 MCULE-6084447050 [1,0,0,0,0,1|1,0,1]=4 1390 B11R1.28 OCCCCC1=CC=NC=C1 MCULE-7907949494 [1,0,0,0,0,1|1,0,1]=4 1391 B11R1.28 OCCCCC1=NC=CC=C1 MCULE-9593580777 [1,0,0,0,0,1|1,0,1]=4 1392 B11R1.28 OCCCCC1=NC=CN=C1 MCULE-2672180218 [1,0,0,0,0,1|1,0,1]=4 1393 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 MCULE-9175861444 [0,0,0,0,0,2|2,0,0]=4 1394 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 MCULE-8260778602 [0,0,0,0,0,2|2,0,0]=4 1395 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 MCULE-9536977701 [0,0,0,0,0,2|2,0,0]=4 1396 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 MCULE-2004419521 [0,0,0,0,0,2|2,0,0]=4 1397 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 MCULE-6100741046 [0,0,0,0,0,2|2,0,0]=4 1398 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 MCULE-2899417581 [0,0,0,0,0,2|2,0,0]=4 1399 B13R1.337 CC(=O)OCCCC1=CC=NC=C1 MCULE-9915797933 [0,0,0,0,0,2|2,0,0]=4 1400 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 MCULE-4454926991 [0,0,0,0,0,2|2,0,0]=4 1401 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 MCULE-8073483780 [0,0,0,0,0,2|2,0,0]=4 1402 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 MCULE-9028611191 [0,0,0,0,0,2|2,0,0]=4 1403 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 MCULE-9406121186 [0,0,0,0,0,2|2,0,0]=4 1404 B13R1.337 NC(=O)CCOCC1=CC=CC=C1 MCULE-7333319459 [0,0,0,0,0,2|2,0,0]=4 1405 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 MCULE-8317987041 [0,0,0,0,0,2|2,0,0]=4 1406 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 MCULE-2669689811 [0,0,0,0,0,2|2,0,0]=4 1407 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 MCULE-7540960722 [0,0,0,0,0,2|2,0,0]=4 1408 B13R1.337 O=C(Cl)CCCCC1=CC=CC=C1 MCULE-5914102108 [0,0,0,0,0,2|2,0,0]=4 1409 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 MCULE-9116962866 [0,0,0,0,0,2|2,0,0]=4 1410 B13R1.337 O=C(Cl)CCCSC1=CC=CC=C1 MCULE-1991280259 [0,0,0,0,0,2|2,0,0]=4 1411 B13R1.337 O=C(Cl)CCOCC1=CC=CC=C1 MCULE-6481690926 [0,0,0,0,0,2|2,0,0]=4 1412 B13R1.337 O=C(O)/C=C/CCC1=CC=CC=C1 MCULE-4189712288 [0,0,0,0,0,2|1,0,1]=4 1413 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 MCULE-5042513297 [0,0,0,0,0,2|1,0,1]=4 1414 B13R1.337 O=C(O)C=CCCC1=CC=CC=C1 MCULE-7534899498 [0,0,0,0,0,2|1,0,1]=4 1415 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 MCULE-6627837769 [0,0,0,0,0,2|1,0,1]=4 1416 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 MCULE-5972199258 [0,0,0,0,0,2|1,0,0]=3 1417 B13R1.337 O=C(O)CCCCC1=CC=CN=C1 MCULE-8872059475 [0,0,0,0,0,2|1,0,0]=3 1418 B13R1.337 O=C(O)CCCCC1=CC=NC=C1 MCULE-6273862245 [0,0,0,0,0,2|1,0,0]=3 1419 B13R1.337 O=C(O)CCCC[N+]1=CC=CC=C1 MCULE-5461598898 [0,0,0,0,0,2|2,0,0]=4 1420 B13R1.337 O=C(O)CCCC[N+]1=CC=CC=C1 MCULE-9841607485 [0,0,0,0,0,2|2,0,0]=4 1421 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 MCULE-5526671417 [0,0,0,0,0,2|1,0,0]=3 1422 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 MCULE-6034181156 [0,0,0,0,0,2|1,0,0]=3 1423 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 MCULE-9159960955 [0,0,0,0,0,2|1,0,0]=3 1424 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 MCULE-1194220261 [0,0,0,0,0,2|1,0,0]=3 1425 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-5490248981 [0,0,0,0,0,2|1,0,0]=3 1426 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-6898264010 [0,0,0,0,0,2|1,0,0]=3 1427 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 MCULE-5458303138 [0,0,0,0,0,2|1,0,0]=3 1428 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 MCULE-6446559907 [0,0,0,0,0,2|1,0,0]=3 1429 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 MCULE-1907234654 [0,0,0,0,0,2|1,0,0]=3 1430 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 MCULE-4296376049 [0,0,0,0,0,2|1,0,0]=3 1431 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 MCULE-4971336683 [0,0,0,0,0,2|1,0,0]=3 1432 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 MCULE-5832105156 [0,0,0,0,0,2|1,0,0]=3 1433 B13R1.337 O=C(O)CCNSC1=CC=CC=C1 MCULE-5956865457 [0,0,0,0,0,2|2,0,0]=4 1434 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MCULE-6896886697 [0,0,0,0,0,2|1,0,0]=3 1435 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MCULE-5162976213 [0,0,0,0,0,2|1,0,0]=3 1436 B13R1.337 O=C(O)CCSCC1=NC=CC=C1 MCULE-5591405066 [0,0,0,0,0,2|1,0,0]=3 1437 B13R1.337 O=C(O)CCSSC1=NC=CC=C1 MCULE-5329769379 [0,0,0,0,0,2|2,0,0]=4 1438 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 MCULE-2003464240 [0,0,0,0,0,2|1,0,0]=3 1439 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 MCULE-8931446746 [0,0,0,0,0,2|1,0,0]=3 1440 B13R1.337 O=C(O)CNOCC1=CC=CC=C1 MCULE-7116628861 [0,0,0,0,0,2|2,0,0]=4 1441 B13R1.337 O=C(O)CNOCC1=CC=CC=C1 MCULE-8697881218 [0,0,0,0,0,2|2,0,0]=4 1442 B13R1.337 O=C(O)COCCC1=CC=CC=C1 MCULE-5290811178 [0,0,0,0,0,2|1,0,0]=3 1443 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 MCULE-5406855931 [0,0,0,0,0,2|1,0,0]=3 1444 B13R1.337 O=C(O)CSCCC1=CC=NC=C1 MCULE-9455593841 [0,0,0,0,0,2|1,0,0]=3 1445 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 MCULE-1048030466 [0,0,0,0,0,2|1,0,0]=3 1446 B13R1.343 O=C(O)CCCCCC1=CC=CS1 MCULE-5748599231 [0,0,0,0,0,2|0,0,0]=2 1447 B13R1.343 O=C(O)CCCCCC1=CSC=C1 MCULE-9370676004 [0,0,0,0,0,2|2,0,0]=4 1448 B13R1.343 O=C(O)CCCCCN1C=CC=C1 MCULE-7271553369 [0,0,0,0,0,2|2,0,0]=4 1449 B13R1.343 O=C(O)CCNCCN1C=CC=N1 MCULE-4971764310 [0,0,0,0,0,2|2,0,0]=4 1450 B13R1.343 O=C(O)CC[NH2+]CCN1C=CC=N1 MCULE-3907732431 [0,0,0,0,0,2|2,0,0]=4