0 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 MCULE-1503677397 [0,0,0,0,0,0|1,0,2]=3 1 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-3225504435 [0,0,0,0,0,0|2,0,1]=3 3 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.6 NC(=O)CCN1C=CC2=CC=CC=C12 MCULE-8078725777 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.6 NC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-6609412974 [0,0,0,0,0,0|2,0,1]=3 8 B15R2.6 NC(=O)CCN1N=NC2=CC=CC=C12 MCULE-7612674047 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [0,0,0,0,0,0|2,0,0]=2 10 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [0,0,0,0,0,0|0,0,2]=2 11 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [0,0,0,0,0,0|0,0,2]=2 12 B15R2.6 O=C(O)C=CC1=CN=C2N1C=CC=C2 MCULE-1274655256 [0,0,0,0,0,0|1,0,3]=4 13 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [0,0,0,0,0,0|0,0,2]=2 14 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [0,0,0,0,0,0|0,0,0]=0 15 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [0,0,0,0,0,0|1,0,0]=1 16 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [0,0,0,0,0,0|1,0,0]=1 17 B15R2.6 O=C(O)CCC1=NC=C2N1C=CC=C2 MCULE-9041931475 [0,0,0,0,0,0|3,0,0]=3 18 B15R2.6 O=C(O)CCC1=NN=C2N1C=CC=C2 MCULE-2094905254 [0,0,0,0,0,0|2,0,1]=3 19 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [0,0,0,0,0,0|2,0,0]=2 20 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 MCULE-6766064162 [0,0,0,0,0,0|1,0,2]=3 21 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [0,0,0,0,0,0|0,0,2]=2 22 B15R2.6 O=C(O)CCC1N=CC2=CC=CC=C12 MCULE-9471558672 [0,0,0,0,0,0|2,0,1]=3 23 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [0,0,0,0,0,0|2,0,0]=2 24 B15R2.6 O=C(O)CCN1C=CC2=CC=CN=C12 MCULE-5269994729 [0,0,0,0,0,0|3,0,0]=3 25 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [0,0,0,0,0,0|1,0,1]=2 26 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [0,0,0,0,0,0|1,0,1]=2 27 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [0,0,0,0,0,0|1,0,1]=2 28 B15R2.6 O=C(O)CCN1CCC2=C1C=CC=C2 MCULE-1199479089 [0,0,0,0,0,0|2,0,1]=3 29 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 MCULE-4830644797 [0,0,0,0,0,0|3,0,0]=3 30 B15R2.6 O=C(O)CCN1N=NC2=C1C=CC=C2 MCULE-8188700361 [0,0,0,0,0,0|2,0,1]=3 31 B15R2.6 O=C(O)CNC1=NCC2=C1C=CC=C2 MCULE-9135692160 [0,0,0,0,0,0|3,0,0]=3 32 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [0,0,0,0,0,0|2,0,0]=2 33 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [0,0,0,0,0,0|1,0,0]=1 34 B15R2.6 O=C(O)CSC1=NN=C2N1C=CC=C2 MCULE-3683710329 [0,0,0,0,0,0|3,0,1]=4 35 B15R2.6 O=C([O-])C=CC1=CNC2=CC=CC=C12 MCULE-2887903829 [0,0,0,0,0,0|0,0,3]=3 36 B15R2.6 O=N(=O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-4890946052 [0,0,0,0,0,0|1,0,3]=4 37 B15R2.6 O=[N+]([O-])C=CC1=CNC2=CC=CC=C12 MCULE-4352099957 [0,0,0,0,0,0|1,0,3]=4 38 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 MCULE-4097971327 [1,0,0,0,0,0|2,0,1]=4 39 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 MCULE-9425269407 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.3 CNCCC1=CNC2=CC=CN=C12 MCULE-6308406696 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.3 N#CCCC1=CNC2=CC=CC=C12 MCULE-9844349638 [1,0,0,0,0,0|1,0,1]=3 42 B14R2.3 NCCCC1=CNC2=C1C=CC=N2 MCULE-6962821583 [1,0,0,0,0,0|2,0,1]=4 43 B14R2.3 NCCCC1=CNC2=CC=CC=C12 MCULE-4742640218 [1,0,0,0,0,0|1,0,1]=3 44 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 MCULE-5852531217 [1,0,0,0,0,0|2,0,1]=4 45 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 MCULE-6122840857 [1,0,0,0,0,0|2,0,1]=4 46 B14R2.3 NNCCC1=CNC2=CC=CC=C12 MCULE-3881420803 [1,0,0,0,0,0|2,0,0]=3 47 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [1,0,0,0,0,0|0,0,0]=1 48 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 MCULE-2483523215 [1,0,0,0,0,0|0,0,1]=2 49 B14R2.3 OCCCN1C=NC2=CC=CC=C12 MCULE-6116225258 [1,0,0,0,0,0|1,0,2]=4 50 B14R2.3 ON=CCC1=CNC2=C1C=CC=C2 MCULE-2984317759 [1,0,0,0,0,0|1,0,1]=3 51 B14R2.3 OOCCC1=CNC2=CC=CC=C12 MCULE-6615259809 [1,0,0,0,0,0|1,0,0]=2 52 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,1,0,0,0,0|0,0,0]=1 53 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,1,0,0,0,0|1,0,0]=2 54 B16R2.12 CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-9019172119 [0,1,0,0,0,0|0,0,2]=3 55 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,1,0,0,0,0|0,0,0]=1 56 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O MCULE-5926856922 [0,1,0,0,0,0|2,0,0]=3 57 B16R2.12 CC(CN1C=NC2=CC=CC=C12)C(=O)O MCULE-3505705922 [0,1,0,0,0,0|1,0,1]=3 58 B16R2.12 CC(CN1N=CC2=C1C=CC=C2)C(=O)O MCULE-3626269889 [0,1,0,0,0,0|3,0,0]=4 59 B16R2.12 CC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-4102430131 [0,1,0,0,0,0|2,0,1]=4 60 B16R2.12 CC(NC1=NCC2=CC=CC=C12)C(=O)O MCULE-7423471641 [0,1,0,0,0,0|3,0,0]=4 61 B16R2.12 CC(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-5963536990 [0,1,0,0,0,0|1,0,1]=3 62 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,1,0,0,0,0|1,0,0]=2 63 B16R2.12 C[C@H](NC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3072834173 [0,1,0,0,0,0|2,0,0]=3 64 B16R2.12 C[C@H](NC1=CSC2=CC=CC=C12)C(=O)O MCULE-4939358545 [0,1,0,0,0,0|2,0,0]=3 65 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,1,0,0,0,0|1,0,0]=2 66 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,1,0,0,0,0|1,0,0]=2 67 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,1,0,0,0,0|1,0,0]=2 68 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,1,0,0,0,0|1,0,0]=2 69 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,1,0,0,0,0|1,0,0]=2 70 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,1,0,0,0,0|1,0,0]=2 71 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,1,0,0,0,0|1,0,0]=2 72 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,1,0,0,0,0|0,0,0]=1 73 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,1,0,0,0,0|1,0,0]=2 74 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,1,0,0,0,0|1,0,0]=2 75 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,1,0,0,0,0|1,0,0]=2 76 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O MCULE-9264840769 [0,1,0,0,0,0|2,0,0]=3 77 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,1,0,0,0,0|1,0,0]=2 78 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,1,0,0,0,0|1,0,0]=2 79 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,1,0,0,0,0|1,0,0]=2 80 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,1,0,0,0,0|1,0,0]=2 81 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,1,0,0,0,0|1,0,1]=3 82 B16R2.12 NC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-9996063121 [0,1,0,0,0,0|2,0,1]=4 83 B16R2.12 N[C@@H](CC1=C2C=CNC=C2N=C1)C(=O)O MCULE-7476750105 [0,1,0,0,0,0|1,0,1]=3 84 B16R2.12 N[C@@H](CC1=C2NC=CC=C2N=C1)C(=O)O MCULE-9698297023 [0,1,0,0,0,0|1,0,1]=3 85 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,1,0,0,0,0|0,0,0]=1 86 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,1,0,0,0,0|0,0,0]=1 87 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,1,0,0,0,0|1,0,0]=2 88 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,1,0,0,0,0|1,0,0]=2 89 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,1,0,0,0,0|1,0,0]=2 90 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,1,0,0,0,0|1,0,0]=2 91 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,1,0,0,0,0|1,0,0]=2 92 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,1,0,0,0,0|1,0,0]=2 93 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,1,0,0,0,0|1,0,0]=2 94 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,1,0,0,0,0|1,0,0]=2 95 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,1,0,0,0,0|1,0,0]=2 96 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,1,0,0,0,0|1,0,0]=2 97 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-7595639482 [0,1,0,0,0,0|2,0,1]=4 98 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8773290838 [0,1,0,0,0,0|2,0,1]=4 99 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8783403149 [0,1,0,0,0,0|2,0,1]=4 100 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8945946277 [0,1,0,0,0,0|2,0,1]=4 101 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,1,0,0,0,0|0,0,0]=1 102 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,1,0,0,0,0|1,0,0]=2 103 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,1,0,0,0,0|0,0,0]=1 104 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,1,0,0,0,0|0,0,0]=1 105 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,1,0,0,0,0|1,0,0]=2 106 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,1,0,0,0,0|1,0,0]=2 107 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,1,0,0,0,0|1,0,0]=2 108 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,1,0,0,0,0|1,0,0]=2 109 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,1,0,0,0,0|1,0,0]=2 110 B16R2.12 O=C(O)C(=CC1=CNC2=CC=CC=C12)S MCULE-5398915682 [0,1,0,0,0,0|0,0,2]=3 111 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,1,0,0,0,0|0,0,1]=2 112 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,1,0,0,0,0|0,0,0]=1 113 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,1,0,0,0,0|0,0,0]=1 114 B16R2.14 CC(=NO)C=CC1=CNC2=C1C=CC=C2 MCULE-2730466723 [0,1,0,0,0,0|1,0,2]=4 115 B16R2.14 CC(=NO)CCC1=CNC2=C1C=CC=C2 MCULE-4117218273 [0,1,0,0,0,0|1,0,0]=2 116 B16R2.14 CC(=NO)CSC1=CNC2=C1C=CC=C2 MCULE-3134182243 [0,1,0,0,0,0|2,0,0]=3 117 B16R2.14 CCC(=O)NCC1=CNC2=CC=CC=C12 MCULE-4306442128 [0,1,0,0,0,0|2,0,0]=3 118 B16R2.14 CCN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1754547837 [0,1,0,0,0,0|3,0,0]=4 119 B16R2.14 CCN(C)CCC1=CNC2=C1C=CC=C2 MCULE-5519543071 [0,1,0,0,0,0|3,0,0]=4 120 B16R2.14 COC(=O)C=CC1=CNC2=C1C=CC=C2 MCULE-5021665673 [0,1,0,0,0,0|0,0,2]=3 121 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-6058936857 [0,1,0,0,0,0|0,0,0]=1 122 B16R2.14 COC(=O)CCN1C=NC2=CC=CC=C12 MCULE-6041516209 [0,1,0,0,0,0|1,0,1]=3 123 B16R2.14 COC(=O)CCN1N=NC2=CC=CC=C12 MCULE-6593922908 [0,1,0,0,0,0|2,0,1]=4 124 B16R2.14 CSC(=S)NCC1=CNC2=C1C=CC=C2 MCULE-5878389514 [0,1,0,0,0,0|1,2,0]=4 125 B16R2.14 C[C@@H](CO)CCC1=CNC2=C1C=CC=C2 MCULE-7278157577 [0,1,0,0,0,0|1,0,1]=3 126 B16R2.14 C[C@@H](CO)CCC1=CNC2=CC=CC=C12 MCULE-1570166301 [0,1,0,0,0,0|1,0,1]=3 127 B16R2.14 N/C(=N\O)/CCN1C=CC2=CC=CC=C12 MCULE-5092707359 [0,1,0,0,0,0|3,0,0]=4 128 B16R2.14 N/C(=N\O)/CCN1C=NC2=CC=CC=C12 MCULE-3326964048 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.14 NNC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-2439340262 [0,1,0,0,0,0|1,0,0]=2 130 B16R2.14 NNC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-6676301102 [0,1,0,0,0,0|2,0,1]=4 131 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3165794084 [0,1,0,0,0,0|2,0,0]=3 132 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-4423247369 [0,1,0,0,0,0|2,0,0]=3 133 B16R2.520 C=C(C)C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-6901441990 [0,1,0,0,0,0|3,0,0]=4 134 B16R2.520 C=C(C)C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-8088801013 [0,1,0,0,0,0|3,0,0]=4 135 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1451859789 [0,1,0,0,0,0|2,0,0]=3 136 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1911385013 [0,1,0,0,0,0|2,0,0]=3 137 B16R2.520 C=C(C)C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-6500816597 [0,1,0,0,0,0|3,0,0]=4 138 B16R2.520 C=C(C)C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-8411166886 [0,1,0,0,0,0|3,0,0]=4 139 B16R2.520 CC(=O)CC(=O)C1=CNC2=C1C=CC=C2 MCULE-7778035018 [0,1,0,0,0,0|1,0,1]=3 140 B16R2.520 CC(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-1348433218 [0,1,0,0,0,0|2,0,1]=4 141 B16R2.520 CC(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6771201918 [0,1,0,0,0,0|2,0,1]=4 142 B16R2.520 CC(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6371460252 [0,1,0,0,0,0|2,0,1]=4 143 B16R2.520 CC(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6841396035 [0,1,0,0,0,0|2,0,1]=4 144 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [0,1,0,0,0,0|0,0,0]=1 145 B16R2.520 CC(CC(=O)O)N1C=NC2=CC=CC=C12 MCULE-3898456673 [0,1,0,0,0,0|1,0,1]=3 146 B16R2.520 CC(CC(=O)O)N1C=NC2=CC=CC=C12 MCULE-8347136802 [0,1,0,0,0,0|1,0,1]=3 147 B16R2.520 CC(CC(=O)O)N1CCC2=C1C=CC=C2 MCULE-3874051110 [0,1,0,0,0,0|2,0,1]=4 148 B16R2.520 CC(CC(=O)O)N1N=NC2=C1C=CC=C2 MCULE-5747400279 [0,1,0,0,0,0|2,0,1]=4 149 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [0,1,0,0,0,0|0,0,0]=1 150 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [0,1,0,0,0,0|0,0,0]=1 151 B16R2.520 N[C@@H](CC(F)F)C1=CNC2=CC=CC=C12 MCULE-4624496033 [0,1,0,0,0,0|2,0,1]=4 152 B16R2.520 N[C@@H](CC(F)F)C1=CNC2=CC=CC=C12 MCULE-8997762947 [0,1,0,0,0,0|2,0,1]=4 153 B16R2.520 N[C@H](CC(F)F)C1=CNC2=CC=CC=C12 MCULE-3972888230 [0,1,0,0,0,0|2,0,1]=4 154 B16R2.520 N[C@H](CC(F)F)C1=CNC2=CC=CC=C12 MCULE-5600130733 [0,1,0,0,0,0|2,0,1]=4 155 B16R2.2947 CN(=O)(C)CCC1=CNC2=C1C=CC=C2 MCULE-1626095060 [0,1,0,0,0,0|2,0,0]=3 156 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)/C=C/C(=O)O MCULE-7011339368 [0,1,0,0,0,0|0,0,2]=3 157 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [0,1,0,0,0,0|0,0,0]=1 158 B16R2.2976 CC1=CC2=C(C=C1)N(N=C2)CCC(=O)O MCULE-7213501671 [0,1,0,0,0,0|3,0,0]=4 159 B16R2.2976 CC1=CC=C2C(=C1)C=CN2CCC(=O)O MCULE-4103037674 [0,1,0,0,0,0|2,0,0]=3 160 B16R2.2976 CC1=CC=C2C(=CNC2=C1)C=CC(=O)O MCULE-7367748076 [0,1,0,0,0,0|0,0,2]=3 161 B16R2.2976 O=C(O)/C=C/C1=CNC2=C1C=CC(=C2)F MCULE-8415677505 [0,1,0,0,0,0|0,0,2]=3 162 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [0,1,0,0,0,0|0,0,0]=1 163 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [0,1,0,0,0,0|0,0,0]=1 164 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [0,1,0,0,0,0|0,0,0]=1 165 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Br MCULE-5760549327 [0,1,0,0,0,0|2,0,0]=3 166 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Cl MCULE-2221739728 [0,1,0,0,0,0|2,0,0]=3 167 B16R2.2976 O=C(O)CCN1CCC2=CC(=CC=C12)Br MCULE-2598792475 [0,1,0,0,0,0|2,0,1]=4 168 B16R2.2976 O=C(O)CCN1N=CC2=CC(=CC=C12)Br MCULE-1696936222 [0,1,0,0,0,0|3,0,0]=4 169 B16R2.4003 CC(=O)N/N=C/1\C(=O)NC2=C1C=CC=C2 MCULE-5002842208 [0,1,0,0,0,0|3,0,0]=4 170 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)/C=C/C(=O)O MCULE-8640887132 [0,1,0,0,0,0|0,0,2]=3 171 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)N MCULE-2768308411 [0,1,0,0,0,0|1,0,0]=2 172 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCN(C)C MCULE-8080330116 [0,1,0,0,0,0|3,0,0]=4 173 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [0,1,0,0,0,0|1,0,0]=2 174 B16R2.4003 CC1=C(C2=C(O1)C=CC=C2)CNC(=O)N MCULE-1200522848 [0,1,0,0,0,0|3,0,0]=4 175 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [0,1,0,0,0,0|0,0,0]=1 176 B16R2.4003 CC1=C(C2=CC=CN=C2N1)CCC(=O)O MCULE-2514335887 [0,1,0,0,0,0|1,0,0]=2 177 B16R2.4003 CC1=C(N2C=CC=CC2=N1)CCC(=O)O MCULE-1667881835 [0,1,0,0,0,0|1,0,1]=3 178 B16R2.4003 CC1=C(N2C=CC=CC2=N1)CCC(=O)O MCULE-9365971096 [0,1,0,0,0,0|1,0,1]=3 179 B16R2.4003 CC1=CC2=CC=CC=C2N1CCC(=O)O MCULE-3165679689 [0,1,0,0,0,0|2,0,0]=3 180 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 MCULE-5562608737 [0,1,0,0,0,0|1,0,1]=3 181 B16R2.4003 CC1=NC2=CC=CC=C2N1CCC(=O)N MCULE-4674227563 [0,1,0,0,0,0|2,0,1]=4 182 B16R2.4003 CC1=[N+](C2=C(O1)C=CC=C2)CCC(=O)O MCULE-3035289709 [0,1,0,0,0,0|2,0,0]=3 183 B16R2.4003 CC1=[N+](C2=C(O1)C=CC=C2)CCC(=O)O MCULE-7281871702 [0,1,0,0,0,0|2,0,0]=3 184 B16R2.4003 CC1=[N+](C2=C(S1)C=CC=C2)CCC(=O)O MCULE-2784212477 [0,1,0,0,0,0|2,0,0]=3 185 B16R2.4003 CC1=[N+](C2=C(S1)C=CC=C2)CCC(=O)O MCULE-4918973548 [0,1,0,0,0,0|2,0,0]=3 186 B16R2.4003 CC1=[NH+]C2=CC=CC=C2N1CCC(=O)O MCULE-9363304635 [0,1,0,0,0,0|1,0,1]=3 187 B16R2.4003 NC(=O)CCN1C(=O)OC2=C1C=CC=C2 MCULE-8942404337 [0,1,0,0,0,0|3,0,0]=4 188 B16R2.4003 NC(=O)N/N=C/1\C(=O)NC2=CC=CC=C12 MCULE-5648757054 [0,1,0,0,0,0|3,0,0]=4 189 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [0,1,0,0,0,0|0,0,1]=2 190 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [0,1,0,0,0,0|1,0,0]=2 191 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C12 MCULE-8455578801 [0,1,0,0,0,0|2,0,0]=3 192 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C12 MCULE-3913775175 [0,1,0,0,0,0|2,0,0]=3 193 B16R2.4003 O=C(O)CCN1C(=S)OC2=C1C=CC=C2 MCULE-4250403592 [0,1,0,0,0,0|2,0,0]=3 194 B16R2.4003 O=C(O)CCN1C2=CC=CC=C2N=C1S MCULE-6994052183 [0,1,0,0,0,0|1,0,1]=3 195 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [0,1,0,0,0,0|1,0,0]=2 196 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [0,1,0,0,0,0|1,0,0]=2 197 B16R2.15551 CC1=CC2=C(C=C1)C=NN2CCC(=O)O MCULE-4087538354 [0,1,0,0,0,0|3,0,0]=4 198 B16R2.15551 CC1=CC2=C(C=C1)NC=C2/C=C/C(=O)O MCULE-3649831392 [0,1,0,0,0,0|0,0,2]=3 199 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [0,1,0,0,0,0|1,0,0]=2 200 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [0,1,0,0,0,0|0,0,0]=1 201 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-1556032580 [0,1,0,0,0,0|3,0,0]=4 202 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-4252363733 [0,1,0,0,0,0|3,0,0]=4 203 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N MCULE-2093808664 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.15551 CN(C)CCC1=CNC2=CC=C(C=C12)Br MCULE-4875343540 [0,1,0,0,0,0|3,0,0]=4 205 B16R2.15551 O=C(O)/C=C/C1=CNC2=C1C=C(C=C2)Cl MCULE-8006257909 [0,1,0,0,0,0|0,0,2]=3 206 B16R2.15551 O=C(O)C=CC1=CSC2=C1C=C(C=C2)Br MCULE-9193804363 [0,1,0,0,0,0|1,0,2]=4 207 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [0,1,0,0,0,0|0,0,0]=1 208 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [0,1,0,0,0,0|0,0,0]=1 209 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [0,1,0,0,0,0|0,0,0]=1 210 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [0,1,0,0,0,0|0,0,0]=1 211 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [0,1,0,0,0,0|0,0,0]=1 212 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Br MCULE-8839357052 [0,1,0,0,0,0|2,0,0]=3 213 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl MCULE-8962558505 [0,1,0,0,0,0|2,0,0]=3 214 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)F MCULE-6235603955 [0,1,0,0,0,0|2,0,0]=3 215 B16R2.15551 O=C(O)CCN1N=CC2=CC=C(C=C12)Cl MCULE-1515873748 [0,1,0,0,0,0|3,0,0]=4 216 B16R2.22833 CC1=C2C=CN(C2=CC=C1)CCC(=O)O MCULE-9596357833 [0,1,0,0,0,0|2,0,0]=3 217 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [0,1,0,0,0,0|0,0,0]=1 218 B16R2.22833 CC1=CC=CC2=C1C=NN2CCC(=O)O MCULE-3846584822 [0,1,0,0,0,0|3,0,0]=4 219 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [0,1,0,0,0,0|0,0,0]=1 220 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [0,1,0,0,0,0|0,0,0]=1 221 B16R2.22833 O=C(O)CCN1C=CC2=C1C=CC=C2Cl MCULE-2417395618 [0,1,0,0,0,0|2,0,0]=3 222 B16R2.22833 O=C(O)CCN1N=CC2=C1C=CC=C2Cl MCULE-6407092965 [0,1,0,0,0,0|3,0,0]=4 223 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [0,1,0,0,0,0|0,0,0]=1 224 B16R2.22904 CN(C)CCC1=CNC2=C1C(=CC=C2)O MCULE-3450497263 [0,1,0,0,0,0|3,0,0]=4 225 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [0,1,0,0,0,0|0,0,0]=1 226 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [0,1,0,0,0,0|0,0,0]=1 227 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [0,1,0,0,0,0|0,0,0]=1 228 B16R2.22904 O=C(O)CCC1=NN=C2N1C(=CC=C2)Cl MCULE-9022886189 [0,1,0,0,0,0|2,0,1]=4 229 B16R2.104522 CC(=O)/C=C/C1=CN(C2=C1C=CC=C2)C MCULE-1922733032 [0,1,0,0,0,0|1,0,2]=4 230 B16R2.104522 CC(=O)C=CC1=CN(C2=C1C=CC=C2)C MCULE-8021518100 [0,1,0,0,0,0|1,0,2]=4 231 B16R2.104522 CC1=CN(C2=C1C=CC=C2)CCC(=O)O MCULE-1072974776 [0,1,0,0,0,0|2,0,0]=3 232 B16R2.104522 CC1=NN(C2=C1C=CC=C2)CCC(=O)O MCULE-3064229029 [0,1,0,0,0,0|3,0,0]=4 233 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O MCULE-5303153365 [0,1,0,0,0,0|0,0,2]=3 234 B16R2.104522 CN1C=C(C2=C1C=CC=C2)C=CC(=O)O MCULE-2015820777 [0,1,0,0,0,0|0,0,2]=3 235 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [0,1,0,0,0,0|0,0,0]=1 236 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)N MCULE-3627246897 [0,1,0,0,0,0|2,0,0]=3 237 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [0,1,0,0,0,0|1,0,0]=2 238 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-4973059418 [0,1,0,0,0,0|2,0,0]=3 239 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-9879778332 [0,1,0,0,0,0|2,0,0]=3 240 B16R2.104522 CN1N=C(C2=CC=CC=C12)OCC(=O)O MCULE-9024504068 [0,1,0,0,0,0|2,0,0]=3 241 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O MCULE-7450777454 [0,0,1,0,0,0|2,0,1]=4 242 B14R1.96 COC1=C(C=CC=C1)C=CCC(=O)O MCULE-4833292790 [0,0,1,0,0,0|1,0,2]=4 243 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O MCULE-8758731302 [0,0,1,0,0,0|2,0,1]=4 244 B14R1.96 COC1=CC=CC=C1CCCC(=O)O MCULE-5200320010 [0,0,1,0,0,0|1,0,2]=4 245 B14R1.96 COC1=CC=CC=C1OCCC(=O)O MCULE-4846511318 [0,0,1,0,0,0|2,0,1]=4 246 B14R1.96 N#CC1=C(C=CC=C1)NCCC(=O)O MCULE-6496076226 [0,0,1,0,0,0|3,0,0]=4 247 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O MCULE-2134906388 [0,0,1,0,0,0|3,0,0]=4 248 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O MCULE-5025555093 [0,0,1,0,0,0|3,0,0]=4 249 B14R1.160 CC(=O)COC(=O)C1=CC=CC=C1N MCULE-1132914706 [0,0,1,0,0,0|3,0,0]=4 250 B14R1.160 CC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2701695748 [0,0,1,0,0,0|2,0,0]=3 251 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6971330465 [0,0,1,0,0,0|3,0,0]=4 252 B14R1.160 CN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-3738842396 [0,0,1,0,0,0|2,0,1]=4 253 B14R1.160 CN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-5621672413 [0,0,1,0,0,0|2,0,1]=4 254 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6337040358 [0,0,1,0,0,0|2,0,0]=3 255 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-7892803957 [0,0,1,0,0,0|2,0,0]=3 256 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)[O-] MCULE-1208767346 [0,0,1,0,0,0|2,0,1]=4 257 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br MCULE-5626452166 [0,0,1,0,0,0|2,0,0]=3 258 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)F MCULE-2439050217 [0,0,1,0,0,0|2,0,0]=3 259 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)I MCULE-4955543307 [0,0,1,0,0,0|2,0,0]=3 260 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl MCULE-7314693029 [0,0,1,0,0,0|2,0,0]=3 261 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl MCULE-9247448113 [0,0,1,0,0,0|3,0,0]=4 262 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F MCULE-7821238762 [0,0,1,0,0,0|3,0,0]=4 263 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I MCULE-5889271418 [0,0,1,0,0,0|3,0,0]=4 264 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O MCULE-5194764394 [0,0,1,0,0,0|3,0,0]=4 265 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Br MCULE-1952492828 [0,0,1,0,0,0|3,0,0]=4 266 B14R1.160 O=C(O)CSC(=O)C1=CC=CC=C1Cl MCULE-8267772871 [0,0,1,0,0,0|3,0,0]=4 267 B14R1.422 O=C(O)CCCC#CC1=CC=CC=C1 MCULE-7340610469 [0,0,1,0,0,0|1,0,2]=4 268 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 MCULE-8701939268 [0,0,1,0,0,0|1,0,2]=4 269 B14R1.422 O=C(O)CCCCNC1=CC=CC=N1 MCULE-9637351472 [0,0,1,0,0,0|1,0,2]=4 270 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 MCULE-7803519351 [0,0,1,0,0,0|1,0,2]=4 271 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 MCULE-6448037636 [0,0,1,0,0,0|2,0,1]=4 272 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 MCULE-8777305709 [0,0,1,0,0,0|2,0,1]=4 273 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 MCULE-3020556599 [0,0,1,0,0,0|2,0,1]=4 274 B14R1.422 O=C(O)CCCSCC1=CC=CC=C1 MCULE-4415458412 [0,0,1,0,0,0|2,0,1]=4 275 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 MCULE-2936162502 [0,0,1,0,0,0|2,0,1]=4 276 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 MCULE-3955262564 [0,0,1,0,0,0|2,0,1]=4 277 B14R1.422 O=C(O)CCNOCC1=CC=CC=C1 MCULE-5384773206 [0,0,1,0,0,0|3,0,0]=4 278 B14R1.422 O=C(O)CCNOCC1=CC=CC=C1 MCULE-8268120455 [0,0,1,0,0,0|3,0,0]=4 279 B14R1.422 O=C(O)CCS/C=C/C1=CC=CC=C1 MCULE-9158275268 [0,0,1,0,0,0|2,0,0]=3 280 B14R1.422 O=C(O)CCSC=CC1=CC=CC=C1 MCULE-3190918133 [0,0,1,0,0,0|2,0,0]=3 281 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-2348036420 [0,0,1,0,0,0|2,0,1]=4 282 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-7721479692 [0,0,1,0,0,0|2,0,1]=4 283 B14R1.540 CCN(CCC(=O)O)C1=CC=CC=C1 MCULE-7260616442 [0,0,1,0,0,0|2,0,1]=4 284 B14R1.540 NN=C(CCC(=O)O)C1=CC=CC=C1 MCULE-6558474133 [0,0,1,0,0,0|1,0,0]=2 285 B16R3.426 O=C(O)C1CC12CCC3=C2C=CC=C3 MCULE-2331646785 [0,0,0,1,0,0|1,0,2]=4 286 B16R3.2637 CN1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-2318549673 [0,0,0,1,0,0|3,0,0]=4 287 B16R3.2637 C[N+]1=CC2=C(CC1)C3=C(N2)C=CC=C3 MCULE-1304770593 [0,0,0,1,0,0|3,0,0]=4 288 B16R3.2637 C[N+]1=CC2=C(CC1)C3=C(N2)C=CC=C3 MCULE-4957211827 [0,0,0,1,0,0|3,0,0]=4 289 B16R3.2637 NC1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-7431006251 [0,0,0,1,0,0|2,0,1]=4 290 B16R3.2637 O=C1CC2=C(CN1)C3=C(N2)C=CC=C3 MCULE-3979644775 [0,0,0,1,0,0|2,0,0]=3 291 B16R3.2637 O=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-1954151692 [0,0,0,1,0,0|1,0,0]=2 292 B16R3.2637 O=C1N=C2NC3=CC=CC=C3C2=NN1 MCULE-4521836550 [0,0,0,1,0,0|3,0,0]=4 293 B16R3.2637 OC1=CC2=C(C=C1)C3=C(N2)C=CC=C3 MCULE-8116402305 [0,0,0,1,0,0|1,0,2]=4 294 B16R3.17569 O=C1CCC2=CNC3=C2C(=CC=C3)N1 MCULE-1424890738 [0,0,0,1,0,0|1,0,0]=2 295 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [0,0,0,0,1,0|1,0,0]=2 296 B14R2.2 CC(=O)CC1=COC2=C1C=CC=C2 MCULE-3973293992 [0,0,0,0,1,0|2,0,0]=3 297 B14R2.2 CC(=O)CN1C=NC2=CC=CC=C12 MCULE-3832574750 [0,0,0,0,1,0|2,0,1]=4 298 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 MCULE-9807063985 [0,0,0,0,1,0|3,0,0]=4 299 B14R2.2 CC(=O)NC1=CSC2=C1C=CC=C2 MCULE-7792331332 [0,0,0,0,1,0|3,0,0]=4 300 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 MCULE-7756909848 [0,0,0,0,1,0|2,0,0]=3 301 B14R2.2 CC(=O)OC1=CNC2=NC=CC=C12 MCULE-5449366993 [0,0,0,0,1,0|3,0,0]=4 302 B14R2.2 CC(=O)OC1=COC2=CC=CC=C12 MCULE-4744302330 [0,0,0,0,1,0|3,0,0]=4 303 B14R2.2 CC(=O)OC1=CSC2=CC=CC=C12 MCULE-3834495045 [0,0,0,0,1,0|3,0,0]=4 304 B14R2.2 CC(=O)OC1=NNC2=C1C=CC=C2 MCULE-2085686123 [0,0,0,0,1,0|3,0,0]=4 305 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 MCULE-6417482430 [0,0,0,0,1,0|2,0,1]=4 306 B14R2.2 CC(O)CC1=CNC2=CC=CC=C12 MCULE-4095237423 [0,0,0,0,1,0|1,0,1]=3 307 B14R2.2 CC([NH3+])CC1=CNC2=C1C=CC=C2 MCULE-6948366681 [0,0,0,0,1,0|2,0,1]=4 308 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 MCULE-6015845238 [0,0,0,0,1,0|3,0,0]=4 309 B14R2.2 CN(C)CC1=CNC2=CC=CC=C12 MCULE-3643815953 [0,0,0,0,1,0|3,0,0]=4 310 B14R2.2 C[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8293811191 [0,0,0,0,1,0|2,0,1]=4 311 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-5882898867 [0,0,0,0,1,0|2,0,0]=3 312 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-6089875221 [0,0,0,0,1,0|2,0,0]=3 313 B14R2.2 N=C(N)SC1=CNC2=C1C=CC=C2 MCULE-1473276166 [0,0,0,0,1,0|3,0,0]=4 314 B14R2.2 N=C(N)SC1=CNC2=C1C=CC=C2 MCULE-3116269276 [0,0,0,0,1,0|3,0,0]=4 315 B14R2.2 NC(=O)CC1=CN=C2N1C=CC=C2 MCULE-4842584047 [0,0,0,0,1,0|2,0,1]=4 316 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [0,0,0,0,1,0|1,0,0]=2 317 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [0,0,0,0,1,0|2,0,0]=3 318 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 MCULE-8439447087 [0,0,0,0,1,0|3,0,0]=4 319 B14R2.2 NC(=O)CN1C=CC2=C1C=CC=C2 MCULE-8299376429 [0,0,0,0,1,0|3,0,0]=4 320 B14R2.2 NC(=O)CN1C=NC2=CC=CC=C12 MCULE-9778164593 [0,0,0,0,1,0|2,0,1]=4 321 B14R2.2 NC(=O)C[N+]1=CSC2=C1C=CC=C2 MCULE-2346106431 [0,0,0,0,1,0|3,0,0]=4 322 B14R2.2 NC(=O)C[N+]1=CSC2=C1C=CC=C2 MCULE-3433199793 [0,0,0,0,1,0|3,0,0]=4 323 B14R2.2 NC(=S)CC1=CNC2=C1C=CC=C2 MCULE-8809650069 [0,0,0,0,1,0|1,1,0]=3 324 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [0,0,0,0,1,0|1,0,0]=2 325 B14R2.2 O=C(Cl)CC1=NOC2=CC=CC=C12 MCULE-3041762539 [0,0,0,0,1,0|3,0,0]=4 326 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 MCULE-4741629356 [0,0,0,0,1,0|2,0,0]=3 327 B14R2.2 O=C(O)CC1=C2C=CC=CN2C=N1 MCULE-1957366338 [0,0,0,0,1,0|3,0,0]=4 328 B14R2.2 O=C(O)CC1=C2C=CC=CN2N=C1 MCULE-4064520120 [0,0,0,0,1,0|1,0,1]=3 329 B14R2.2 O=C(O)CC1=C2C=CNC=C2N=C1 MCULE-8161143287 [0,0,0,0,1,0|1,0,1]=3 330 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=C2 MCULE-5015122117 [0,0,0,0,1,0|1,0,1]=3 331 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=C2 MCULE-7817520804 [0,0,0,0,1,0|1,0,1]=3 332 B14R2.2 O=C(O)CC1=CN=C2N1N=CC=C2 MCULE-2267609654 [0,0,0,0,1,0|2,0,1]=4 333 B14R2.2 O=C(O)CC1=CN=C2N1N=CC=C2 MCULE-5364809214 [0,0,0,0,1,0|2,0,1]=4 334 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [0,0,0,0,1,0|0,0,0]=1 335 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 MCULE-3393546300 [0,0,0,0,1,0|1,0,0]=2 336 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1011345996 [0,0,0,0,1,0|1,0,0]=2 337 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1460737867 [0,0,0,0,1,0|1,0,0]=2 338 B14R2.2 O=C(O)CC1=CNC2=CC=CN=C12 MCULE-7199890870 [0,0,0,0,1,0|1,0,0]=2 339 B14R2.2 O=C(O)CC1=CNC2=NC=CC=C12 MCULE-3834471692 [0,0,0,0,1,0|1,0,0]=2 340 B14R2.2 O=C(O)CC1=CNC2=NC=CN=C12 MCULE-3940180881 [0,0,0,0,1,0|2,0,0]=3 341 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 MCULE-6197784001 [0,0,0,0,1,0|1,0,0]=2 342 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 MCULE-5976245234 [0,0,0,0,1,0|1,0,0]=2 343 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C12 MCULE-8082948728 [0,0,0,0,1,0|1,0,0]=2 344 B14R2.2 O=C(O)CC1=NNC2=NC=CC=C12 MCULE-6803403652 [0,0,0,0,1,0|2,0,0]=3 345 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 MCULE-4494939468 [0,0,0,0,1,0|2,0,0]=3 346 B14R2.2 O=C(O)CC1=NOC2=CC=CN=C12 MCULE-9620784043 [0,0,0,0,1,0|3,0,0]=4 347 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 MCULE-4666776096 [0,0,0,0,1,0|2,0,0]=3 348 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 MCULE-1961521456 [0,0,0,0,1,0|1,0,2]=4 349 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-4485519781 [0,0,0,0,1,0|0,0,2]=3 350 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-9569578698 [0,0,0,0,1,0|0,0,2]=3 351 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 MCULE-2236868857 [0,0,0,0,1,0|1,0,2]=4 352 B14R2.2 O=C(O)CN1C=CC2=C1N=CC=C2 MCULE-8241373108 [0,0,0,0,1,0|3,0,0]=4 353 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C12 MCULE-3243128001 [0,0,0,0,1,0|2,0,0]=3 354 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C12 MCULE-5269416736 [0,0,0,0,1,0|1,0,1]=3 355 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C12 MCULE-6499795191 [0,0,0,0,1,0|1,0,1]=3 356 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 MCULE-2787979324 [0,0,0,0,1,0|2,0,1]=4 357 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 MCULE-5770674919 [0,0,0,0,1,0|2,0,1]=4 358 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C12 MCULE-7817622881 [0,0,0,0,1,0|3,0,0]=4 359 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 MCULE-6198639583 [0,0,0,0,1,0|2,0,1]=4 360 B14R2.2 O=C(O)C[N+]1=CSC2=C1C=CC=C2 MCULE-4561417538 [0,0,0,0,1,0|2,0,0]=3 361 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [0,0,0,0,1,0|0,0,1]=2 362 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [0,0,0,0,1,0|0,0,1]=2 363 B14R2.2 O=C([O-])CN1C=NC2=C1C=CC=C2 MCULE-6338092837 [0,0,0,0,1,0|1,0,2]=4 364 B14R2.2 O=C([O-])C[N+]1=CSC2=C1C=CC=C2 MCULE-1340674051 [0,0,0,0,1,0|2,0,1]=4 365 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [0,0,0,0,0,1|1,0,0]=2 366 B16R2.36 CC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-5420752814 [0,0,0,0,0,1|2,0,1]=4 367 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [0,0,0,0,0,1|1,0,0]=2 368 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-3624253378 [0,0,0,0,0,1|2,0,1]=4 369 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-6669922334 [0,0,0,0,0,1|2,0,1]=4 370 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-7927210820 [0,0,0,0,0,1|2,0,1]=4 371 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [0,0,0,0,0,1|1,0,0]=2 372 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [0,0,0,0,0,1|1,0,0]=2 373 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [0,0,0,0,0,1|1,0,0]=2 374 B16R2.36 NC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3098683675 [0,0,0,0,0,1|2,0,1]=4 375 B16R2.36 NC(=S)CCCC1=CNC2=C1C=CC=C2 MCULE-9048575666 [0,0,0,0,0,1|1,1,0]=3 376 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 MCULE-5137799018 [0,0,0,0,0,1|1,1,0]=3 377 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [0,0,0,0,0,1|1,0,0]=2 378 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [0,0,0,0,0,1|0,0,0]=1 379 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [0,0,0,0,0,1|1,0,0]=2 380 B16R2.36 O=C(O)CCCC1=NN=C2N1C=CC=C2 MCULE-8537495636 [0,0,0,0,0,1|2,0,1]=4 381 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 MCULE-1883575296 [0,0,0,0,0,1|1,0,1]=3 382 B16R2.36 O=C(O)CCCN1C=NC2=CC=CC=C12 MCULE-3329921832 [0,0,0,0,0,1|1,0,1]=3 383 B16R2.36 O=C(O)CCCN1CCC2=C1C=CC=C2 MCULE-6129946978 [0,0,0,0,0,1|2,0,1]=4 384 B16R2.36 O=C(O)CCCN1CCC2=C1C=CC=C2 MCULE-9343094141 [0,0,0,0,0,1|2,0,1]=4 385 B16R2.36 O=C(O)CCCN1N=CC2=CC=CC=C12 MCULE-7223918646 [0,0,0,0,0,1|3,0,0]=4 386 B16R2.36 O=C(O)CCCN1N=NC2=CC=CC=C12 MCULE-2521738415 [0,0,0,0,0,1|2,0,1]=4 387 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [0,0,0,0,0,1|0,0,0]=1 388 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [0,0,0,0,0,1|0,0,0]=1 389 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [0,0,0,0,0,1|0,0,1]=2 390 B16R2.477 C=C(Br)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-3639545267 [0,0,0,0,0,1|3,0,0]=4 391 B16R2.477 C=C(C)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2167541389 [0,0,0,0,0,1|3,0,0]=4 392 B16R2.477 C=C(Cl)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-5757227541 [0,0,0,0,0,1|3,0,0]=4 393 B16R2.477 CC(=O)CSC1=NC2=C(C=CC=C2)C=C1 MCULE-7247358587 [0,0,0,0,0,1|3,0,0]=4 394 B16R2.477 CC(=O)CSC1=[NH+]C2=CC=CC=C2C=C1 MCULE-2133006188 [0,0,0,0,0,1|3,0,0]=4 395 B16R2.477 CC(=O)OCC1=CC=C2C=CC=CC2=C1 MCULE-6765739129 [0,0,0,0,0,1|3,0,0]=4 396 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 MCULE-7673773890 [0,0,0,0,0,1|3,0,0]=4 397 B16R2.477 NC(=O)CSC1=CC2=CC=CC=C2C=C1 MCULE-4007125842 [0,0,0,0,0,1|3,0,0]=4 398 B16R2.477 NC(=O)CSC1=NC2=CC=CC=C2C=C1 MCULE-2362556687 [0,0,0,0,0,1|3,0,0]=4 399 B16R2.477 O=C(Cl)COC1=CC2=C(C=CC=C2)C=C1 MCULE-2433654188 [0,0,0,0,0,1|3,0,0]=4 400 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=CC=C2)C=C1 MCULE-6746048754 [0,0,0,0,0,1|1,0,2]=4 401 B16R2.477 O=C(O)/C=C/C1=NC2=CC=CC=C2C=C1 MCULE-1572378379 [0,0,0,0,0,1|1,0,2]=4 402 B16R2.477 O=C(O)C#CC1=CC2=CC=CC=C2C=C1 MCULE-1928584479 [0,0,0,0,0,1|1,0,2]=4 403 B16R2.477 O=C(O)C=CC1=CC2=C(C=CC=C2)N=C1 MCULE-8804634148 [0,0,0,0,0,1|0,0,3]=4 404 B16R2.477 O=C(O)C=CC1=CC2=CC=CC=C2C=C1 MCULE-8044067295 [0,0,0,0,0,1|1,0,2]=4 405 B16R2.477 O=C(O)C=CC1=CC=C2C=CC=CC2=N1 MCULE-1974635443 [0,0,0,0,0,1|1,0,2]=4 406 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [0,0,0,0,0,1|1,0,0]=2 407 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [0,0,0,0,0,1|0,0,1]=2 408 B16R2.477 O=C(O)CCC1=NC2=C(C=CC=C2)C=C1 MCULE-7965912465 [0,0,0,0,0,1|1,0,0]=2 409 B16R2.477 O=C(O)CCC1=NC2=CC=CC=C2N=C1 MCULE-2777540649 [0,0,0,0,0,1|0,0,1]=2 410 B16R2.477 O=C(O)CCC1CNC2=C(C1)C=CC=C2 MCULE-2121494011 [0,0,0,0,0,1|0,0,2]=3 411 B16R2.477 O=C(O)CCC1COC2=CC=CC=C2O1 MCULE-1152434230 [0,0,0,0,0,1|1,0,2]=4 412 B16R2.477 O=C(O)CCN1CCC2=CC=CC=C2C1 MCULE-1993144420 [0,0,0,0,0,1|2,0,1]=4 413 B16R2.477 O=C(O)CCN1CCC2=CC=CC=C2C1 MCULE-5041669420 [0,0,0,0,0,1|2,0,1]=4 414 B16R2.477 O=C(O)CNC1=CC=C2C=CC=CC2=C1 MCULE-1725837215 [0,0,0,0,0,1|2,0,0]=3 415 B16R2.477 O=C(O)COC1=CC2=C(C=CN=C2)C=C1 MCULE-1407875480 [0,0,0,0,0,1|3,0,0]=4 416 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 MCULE-2200583599 [0,0,0,0,0,1|2,0,0]=3 417 B16R2.477 O=C(O)COC1=CN=C2C=CC=CC2=N1 MCULE-1294704493 [0,0,0,0,0,1|1,0,1]=3 418 B16R2.477 O=C(O)CSC1=CC=C2C=CC=CC2=C1 MCULE-6862066159 [0,0,0,0,0,1|2,0,0]=3 419 B16R2.477 O=C(O)CSC1=CN=C2C=CC=CC2=N1 MCULE-7021051755 [0,0,0,0,0,1|1,0,1]=3 420 B16R2.477 O=C(O)CSC1=NC2=CC=CC=C2C=C1 MCULE-2054471536 [0,0,0,0,0,1|2,0,0]=3 421 B16R2.477 O=C(O)CSC1=NC=C2C=CC=CC2=N1 MCULE-7262267263 [0,0,0,0,0,1|3,0,0]=4 422 B16R2.477 O=C([O-])COC1=CC=C2C=CC=CC2=C1 MCULE-1163859335 [0,0,0,0,0,1|2,0,1]=4 423 B16R2.477 O=C([O-])CSC1=NC2=C(C=CC=C2)C=C1 MCULE-5755579547 [0,0,0,0,0,1|2,0,1]=4 424 B16R2.179941 C=C(C)CCC1=CC=CC2=CC=CC=C12 MCULE-9602797463 [0,0,0,0,0,1|3,0,0]=4 425 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CC=C1 MCULE-8933922318 [0,0,0,0,0,1|2,0,0]=3 426 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 MCULE-6509347005 [0,0,0,0,0,1|1,0,1]=3 427 B16R2.179941 CC(=O)CSC1=C2C=CC=CC2=NC=N1 MCULE-8648282379 [0,0,0,0,0,1|2,0,1]=4 428 B16R2.179941 NC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1931911212 [0,0,0,0,0,1|2,0,0]=3 429 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 MCULE-6210658307 [0,0,0,0,0,1|2,0,1]=4 430 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-6531841643 [0,0,0,0,0,1|3,0,0]=4 431 B16R2.179941 NC(=O)CSC1=NC=CC2=CC=CC=C12 MCULE-6768111493 [0,0,0,0,0,1|3,0,0]=4 432 B16R2.179941 NC(=O)CSC1=NC=NC2=CC=CC=C12 MCULE-3133821098 [0,0,0,0,0,1|2,0,1]=4 433 B16R2.179941 O=C(Cl)CCC1=CC=CC2=CC=CC=C12 MCULE-3633070188 [0,0,0,0,0,1|2,0,0]=3 434 B16R2.179941 O=C(Cl)COC1=C2C=CC=CC2=CC=C1 MCULE-2455673531 [0,0,0,0,0,1|3,0,0]=4 435 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CC=C1 MCULE-2102991584 [0,0,0,0,0,1|1,0,2]=4 436 B16R2.179941 O=C(O)C#CC1=CC=CC2=CC=CC=C12 MCULE-3324290023 [0,0,0,0,0,1|1,0,2]=4 437 B16R2.179941 O=C(O)C=CC1=C2C=CC=CC2=CC=C1 MCULE-9343200692 [0,0,0,0,0,1|1,0,2]=4 438 B16R2.179941 O=C(O)C=CC1=C2C=CC=CC2=NC=C1 MCULE-3640092561 [0,0,0,0,0,1|0,0,3]=4 439 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [0,0,0,0,0,1|1,0,0]=2 440 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 MCULE-4075360632 [0,0,0,0,0,1|0,0,1]=2 441 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [0,0,0,0,0,1|0,0,1]=2 442 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-2558389451 [0,0,0,0,0,1|2,0,0]=3 443 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-4917197129 [0,0,0,0,0,1|2,0,0]=3 444 B16R2.179941 O=C(O)CCC1=CCCC2=C1C=CC=C2 MCULE-3365793903 [0,0,0,0,0,1|1,0,0]=2 445 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C12 MCULE-8762925874 [0,0,0,0,0,1|0,0,1]=2 446 B16R2.179941 O=C(O)CCN1CCCC2=C1C=CC=C2 MCULE-2369004975 [0,0,0,0,0,1|2,0,1]=4 447 B16R2.179941 O=C(O)CCN1CCCC2=C1C=CC=C2 MCULE-4123364812 [0,0,0,0,0,1|2,0,1]=4 448 B16R2.179941 O=C(O)CNC1=CC=CC2=C1C=CC=C2 MCULE-3493254762 [0,0,0,0,0,1|2,0,0]=3 449 B16R2.179941 O=C(O)CNC1=NC=NC2=CC=CC=C12 MCULE-3120766562 [0,0,0,0,0,1|1,0,1]=3 450 B16R2.179941 O=C(O)CNC1=[NH+]C=NC2=CC=CC=C12 MCULE-6414093657 [0,0,0,0,0,1|1,0,1]=3 451 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 MCULE-2007375815 [0,0,0,0,0,1|2,0,0]=3 452 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 MCULE-1028044663 [0,0,0,0,0,1|3,0,0]=4 453 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 MCULE-9088973100 [0,0,0,0,0,1|3,0,0]=4 454 B16R2.179941 O=C(O)COC1=CC=NC2=C1C=CC=C2 MCULE-7950847031 [0,0,0,0,0,1|1,0,1]=3 455 B16R2.179941 O=C(O)COC1=NC=NC2=C1C=CC=C2 MCULE-8759024337 [0,0,0,0,0,1|1,0,1]=3 456 B16R2.179941 O=C(O)COC1=NC=NC2=CC=CC=C12 MCULE-1455020973 [0,0,0,0,0,1|1,0,1]=3 457 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=C1 MCULE-4972551873 [0,0,0,0,0,1|2,0,0]=3 458 B16R2.179941 O=C(O)CSC1=C2N=CC=CC2=CC=C1 MCULE-3801435583 [0,0,0,0,0,1|3,0,0]=4 459 B16R2.179941 O=C(O)CSC1=NC=CC2=CC=CC=C12 MCULE-9011967010 [0,0,0,0,0,1|2,0,0]=3 460 B16R2.179941 O=C(O)CSC1=NC=NC2=CC=CC=C12 MCULE-7493201034 [0,0,0,0,0,1|1,0,1]=3 461 B16R2.179941 O=C(O)CSC1=NN=CC2=CC=CC=C12 MCULE-9596067407 [0,0,0,0,0,1|2,0,1]=4 462 B16R2.179941 O=C([O-])CSC1=NC=CC2=CC=CC=C12 MCULE-2302071531 [0,0,0,0,0,1|2,0,1]=4 463 B13R1.158 CC1=C(C=CC=C1)CCCC(=O)O MCULE-8086754634 [1,0,1,0,0,0|0,0,2]=4 464 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O MCULE-6433959628 [1,0,1,0,0,0|1,0,1]=4 465 B13R1.158 CC1=CC=CC=C1OCCC(=O)O MCULE-1847570735 [1,0,1,0,0,0|1,0,1]=4 466 B13R1.158 CC1=CC=CC=C1SCCC(=O)O MCULE-3610383733 [1,0,1,0,0,0|1,0,1]=4 467 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)N MCULE-5304706792 [1,0,1,0,0,0|2,0,0]=4 468 B13R1.158 NC(=O)CCNC1=CC=CC=C1N MCULE-9465629675 [1,0,1,0,0,0|2,0,0]=4 469 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N MCULE-6323548335 [1,0,1,0,0,0|2,0,0]=4 470 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N MCULE-1644880299 [1,0,1,0,0,0|2,0,0]=4 471 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-4546839548 [1,0,1,0,0,0|0,0,1]=3 472 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-8845736053 [1,0,1,0,0,0|0,0,1]=3 473 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-4643199382 [1,0,1,0,0,0|1,0,0]=3 474 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-9399438033 [1,0,1,0,0,0|1,0,0]=3 475 B13R1.158 O=C(O)CC=CC1=C(C=CC=C1)F MCULE-9599946758 [1,0,1,0,0,0|1,0,1]=4 476 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br MCULE-9066386382 [1,0,1,0,0,0|1,0,1]=4 477 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl MCULE-6520890001 [1,0,1,0,0,0|1,0,1]=4 478 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F MCULE-7333605867 [1,0,1,0,0,0|1,0,1]=4 479 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)O MCULE-6061979247 [1,0,1,0,0,0|1,0,1]=4 480 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)F MCULE-9617002989 [1,0,1,0,0,0|2,0,0]=4 481 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl MCULE-7708706863 [1,0,1,0,0,0|2,0,0]=4 482 B13R1.158 O=C(O)CCNC1=CC=CC=C1I MCULE-8194705706 [1,0,1,0,0,0|2,0,0]=4 483 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br MCULE-1634299141 [1,0,1,0,0,0|2,0,0]=4 484 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl MCULE-2237792478 [1,0,1,0,0,0|2,0,0]=4 485 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F MCULE-8402983120 [1,0,1,0,0,0|2,0,0]=4 486 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)I MCULE-3745325973 [1,0,1,0,0,0|2,0,0]=4 487 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br MCULE-9251688488 [1,0,1,0,0,0|2,0,0]=4 488 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl MCULE-1522135518 [1,0,1,0,0,0|2,0,0]=4 489 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F MCULE-4201790331 [1,0,1,0,0,0|2,0,0]=4 490 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [1,0,1,0,0,0|2,0,0]=4 491 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [1,0,1,0,0,0|0,0,2]=4 492 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-6181229610 [1,0,1,0,0,0|1,0,1]=4 493 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-7016084931 [1,0,1,0,0,0|1,0,1]=4 494 B13R1.45 N=C(NCC(=O)O)C1=CC=CC=C1 MCULE-3603507752 [1,0,1,0,0,0|1,0,1]=4 495 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [1,0,1,0,0,0|0,0,1]=3 496 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [1,0,1,0,0,0|0,0,1]=3 497 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [1,0,1,0,0,0|0,0,1]=3 498 B13R1.45 NC(CCC(=O)O)C1=CC=CC=N1 MCULE-4068806991 [1,0,1,0,0,0|1,0,1]=4 499 B13R1.45 NC(CCC(=O)O)C1=CC=NC=C1 MCULE-8327325869 [1,0,1,0,0,0|1,0,1]=4 500 B13R1.45 NC(CCC(=O)O)C1=NC=CC=C1 MCULE-2256440112 [1,0,1,0,0,0|1,0,1]=4 501 B13R1.45 NN(CCC(=O)O)C1=CC=CC=C1 MCULE-6515024702 [1,0,1,0,0,0|1,0,0]=3 502 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [1,0,1,0,0,0|0,0,1]=3 503 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [1,0,1,0,0,0|0,0,1]=3 504 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [1,0,1,0,0,0|0,0,1]=3 505 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [1,0,1,0,0,0|0,0,1]=3 506 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=NC=C1 MCULE-4246152867 [1,0,1,0,0,0|1,0,1]=4 507 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [1,0,1,0,0,0|0,0,1]=3 508 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [1,0,1,0,0,0|0,0,1]=3 509 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [1,0,1,0,0,0|0,0,1]=3 510 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [1,0,1,0,0,0|0,0,1]=3 511 B13R1.45 N[C@H](CCC(=O)O)C1=CC=NC=C1 MCULE-3485856671 [1,0,1,0,0,0|1,0,1]=4 512 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [1,0,1,0,0,0|1,0,0]=3 513 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 MCULE-9218064287 [1,0,1,0,0,0|2,0,0]=4 514 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [1,0,1,0,0,0|2,0,0]=4 515 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4148866271 [1,0,1,0,0,0|2,0,0]=4 516 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4643360404 [1,0,1,0,0,0|2,0,0]=4 517 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [1,0,1,0,0,0|1,0,1]=4 518 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MCULE-2214602350 [1,0,1,0,0,0|2,0,0]=4 519 B13R1.45 O=C(O)CNC(=S)C1=CC=CC=C1 MCULE-9765729580 [1,0,1,0,0,0|2,0,0]=4 520 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 MCULE-5202964730 [1,0,1,0,0,0|2,0,0]=4 521 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 MCULE-1348963497 [1,0,1,0,0,0|2,0,0]=4 522 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [1,0,1,0,0,0|0,0,2]=4 523 B13R2.1 BrCCC1=CNC2=CC=CC=C12 MCULE-7970040548 [2,0,0,0,0,0|1,0,0]=3 524 B13R2.1 C=CCC1=CNC2=C1C=CC=C2 MCULE-3755785484 [2,0,0,0,0,0|0,0,1]=3 525 B13R2.1 CNCC1=CNC2=C1C=CC=C2 MCULE-9047737801 [2,0,0,0,0,0|1,0,1]=4 526 B13R2.1 COCC1=CNC2=CC=CC=C12 MCULE-1453715736 [2,0,0,0,0,0|1,0,1]=4 527 B13R2.1 ClCCC1=CNC2=C1C=CC=C2 MCULE-9877505951 [2,0,0,0,0,0|1,0,0]=3 528 B13R2.1 ClCCC1=CNC2=NC=CC=C12 MCULE-3079129470 [2,0,0,0,0,0|2,0,0]=4 529 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 MCULE-6428652739 [2,0,0,0,0,0|1,0,1]=4 530 B13R2.1 NCCC1=CCC2=C1C=CC=C2 MCULE-2661013112 [2,0,0,0,0,0|2,0,0]=4 531 B13R2.1 NCCC1=CCC2=C1C=CC=C2 MCULE-5998677222 [2,0,0,0,0,0|2,0,0]=4 532 B13R2.1 NCCC1=CNC2=C1C=CC=C2 MCULE-6402431765 [2,0,0,0,0,0|1,0,0]=3 533 B13R2.1 NCCC1=CNC2=C1C=CC=N2 MCULE-6871527636 [2,0,0,0,0,0|2,0,0]=4 534 B13R2.1 NCCC1=CNC2=C1C=CN=C2 MCULE-1726648661 [2,0,0,0,0,0|2,0,0]=4 535 B13R2.1 NCCC1=CNC2=C1C=CN=C2 MCULE-7587127908 [2,0,0,0,0,0|2,0,0]=4 536 B13R2.1 NCCC1=CNC2=C1C=NC=C2 MCULE-3986262249 [2,0,0,0,0,0|2,0,0]=4 537 B13R2.1 NCCC1=CNC2=C1C=NC=C2 MCULE-7073983222 [2,0,0,0,0,0|2,0,0]=4 538 B13R2.1 NCCC1=CNC2=C1N=CC=C2 MCULE-5172198608 [2,0,0,0,0,0|2,0,0]=4 539 B13R2.1 NCCC1=CNC2=CC=CN=C12 MCULE-5751228184 [2,0,0,0,0,0|2,0,0]=4 540 B13R2.1 NCCC1=CNC2=NC=CC=C12 MCULE-5729961356 [2,0,0,0,0,0|2,0,0]=4 541 B13R2.1 NCCC1=CNC2=NC=CC=C12 MCULE-9632213722 [2,0,0,0,0,0|2,0,0]=4 542 B13R2.1 NCCC1=COC2=CC=CC=C12 MCULE-7528617628 [2,0,0,0,0,0|2,0,0]=4 543 B13R2.1 NCCC1=COC2=CC=CC=C12 MCULE-7867750419 [2,0,0,0,0,0|2,0,0]=4 544 B13R2.1 NCCC1=CSC2=C1C=CC=C2 MCULE-4237424815 [2,0,0,0,0,0|2,0,0]=4 545 B13R2.1 NCCC1=CSC2=C1C=CC=C2 MCULE-4439041927 [2,0,0,0,0,0|2,0,0]=4 546 B13R2.1 NCCC1=NNC2=C1C=CC=C2 MCULE-1354507733 [2,0,0,0,0,0|2,0,0]=4 547 B13R2.1 NCCC1=NNC2=C1C=CC=C2 MCULE-8325758175 [2,0,0,0,0,0|2,0,0]=4 548 B13R2.1 O/N=C/C1=CNC2=C1C=CC=C2 MCULE-4454530861 [2,0,0,0,0,0|1,0,1]=4 549 B13R2.1 O=C=NC1=CNC2=C1C=CC=C2 MCULE-5249849405 [2,0,0,0,0,0|1,0,1]=4 550 B13R2.1 O=CCC1=CNC2=C1C=CC=C2 MCULE-2893533280 [2,0,0,0,0,0|0,0,0]=2 551 B13R2.1 OCCC1=CNC2=C1C=CC=C2 MCULE-8363712085 [2,0,0,0,0,0|0,0,0]=2 552 B13R2.1 OCCC1=COC2=C1C=CC=C2 MCULE-7695308896 [2,0,0,0,0,0|1,0,0]=3 553 B13R2.1 OCCC1=CSC2=C1C=CC=C2 MCULE-5213360412 [2,0,0,0,0,0|1,0,0]=3 554 B13R2.1 OCCC1=NOC2=CC=CC=C12 MCULE-1658232698 [2,0,0,0,0,0|2,0,0]=4 555 B13R2.1 OCCC1=NSC2=C1C=CC=C2 MCULE-4999021824 [2,0,0,0,0,0|2,0,0]=4 556 B13R2.1 OCCC1CNC2=CC=CC=C12 MCULE-5300369011 [2,0,0,0,0,0|0,0,2]=4 557 B13R2.1 OCCN1C=CC2=C1C=CC=C2 MCULE-8770191171 [2,0,0,0,0,0|2,0,0]=4 558 B13R2.1 OCCN1C=NC2=C1C=CC=C2 MCULE-6027584363 [2,0,0,0,0,0|1,0,1]=4 559 B13R2.1 ON=CC1=CNC2=C1C=CC=C2 MCULE-5495833021 [2,0,0,0,0,0|1,0,1]=4 560 B13R2.1 SCCC1=CNC2=C1C=CC=C2 MCULE-4961164716 [2,0,0,0,0,0|0,1,0]=3 561 B13R2.1 [NH3+]CCC1=CNC2=C1C=CC=C2 MCULE-2705006421 [2,0,0,0,0,0|1,0,0]=3 562 B15R1.86 CCC1=CC=CC=C1C(=O)CCC(=O)O MCULE-2828820186 [0,1,1,0,0,0|1,0,1]=4 563 B15R1.86 COC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-4905025368 [0,1,1,0,0,0|1,0,1]=4 564 B15R1.86 CSC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2263895939 [0,1,1,0,0,0|1,0,1]=4 565 B15R1.124 CC1=C(C=CC=C1C(=O)CCC(=O)O)Cl MCULE-4712484330 [0,1,1,0,0,0|2,0,0]=4 566 B15R1.124 CC1=C(C=CC=C1F)C(=O)CCC(=O)O MCULE-6724474060 [0,1,1,0,0,0|2,0,0]=4 567 B15R1.124 CC1=CC=CC(=C1C)C(=O)CCC(=O)O MCULE-6393403526 [0,1,1,0,0,0|2,0,0]=4 568 B15R1.124 O=C(O)CCC(=O)C1=C(C(=CC=C1)F)F MCULE-1932522125 [0,1,1,0,0,0|2,0,0]=4 569 B15R1.124 O=C(O)CCC(=O)C1=CC=CC(=C1Cl)Cl MCULE-8339097599 [0,1,1,0,0,0|2,0,0]=4 570 B15R1.5793 CC(CC(=O)C1=C(C=CC=C1)F)C(=O)O MCULE-5553807204 [0,1,1,0,0,0|2,0,0]=4 571 B15R1.5793 CC(NC(=O)C1=CC=CC=C1N)C(=O)O MCULE-8424560776 [0,1,1,0,0,0|2,0,0]=4 572 B15R1.5793 NC1=C(C=CC=C1)C(=O)CC(N)C(=O)O MCULE-6365994952 [0,1,1,0,0,0|1,0,0]=3 573 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-3000532519 [0,1,1,0,0,0|1,0,0]=3 574 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-4921407586 [0,1,1,0,0,0|1,0,0]=3 575 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@H](N)C(=O)O MCULE-9931264693 [0,1,1,0,0,0|1,0,0]=3 576 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O MCULE-5768672194 [0,1,1,0,0,0|1,0,0]=3 577 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-4252266743 [0,1,1,0,0,0|1,0,0]=3 578 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-6921924741 [0,1,1,0,0,0|1,0,0]=3 579 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-2954767871 [0,1,1,0,0,0|1,0,0]=3 580 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-3184741194 [0,1,1,0,0,0|1,0,0]=3 581 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-5938770114 [0,1,1,0,0,0|1,0,0]=3 582 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [0,1,1,0,0,0|2,0,0]=4 583 B15R1.5815 COC(=O)CCC(=O)C1=C(C=CC=C1)C MCULE-1097276432 [0,1,1,0,0,0|2,0,0]=4 584 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1Cl MCULE-2127629479 [0,1,1,0,0,0|2,0,0]=4 585 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1F MCULE-7567452938 [0,1,1,0,0,0|2,0,0]=4 586 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1N MCULE-1803143526 [0,1,1,0,0,0|1,0,0]=3 587 B15R1.5815 COC(=O)COC(=O)C1=CC=CC=C1N MCULE-1010130696 [0,1,1,0,0,0|2,0,0]=4 588 B15R1.5822 CC1=C(C=CC(=C1)Br)C(=O)CCC(=O)O MCULE-3365320987 [0,1,1,0,0,0|2,0,0]=4 589 B15R1.5822 CC1=C(C=CC(=C1)Cl)C(=O)CCC(=O)O MCULE-9904729684 [0,1,1,0,0,0|2,0,0]=4 590 B15R1.5822 CC1=C(C=CC(=C1)F)C(=O)CCC(=O)O MCULE-7844028354 [0,1,1,0,0,0|2,0,0]=4 591 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)C MCULE-1217203099 [0,1,1,0,0,0|2,0,0]=4 592 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O MCULE-2144936141 [0,1,1,0,0,0|2,0,0]=4 593 B15R1.5822 CC1=CC(=CC=C1C(=O)CCC(=O)O)O MCULE-8830180430 [0,1,1,0,0,0|2,0,0]=4 594 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-9161187984 [0,1,1,0,0,0|2,0,0]=4 595 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-3424416401 [0,1,1,0,0,0|2,0,0]=4 596 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)F MCULE-6392169917 [0,1,1,0,0,0|2,0,0]=4 597 B15R1.5822 O=C(O)CCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-9044267496 [0,1,1,0,0,0|2,0,0]=4 598 B15R1.8312 O=C(O)CCC(=O)C1=C(C=CC=C1F)Cl MCULE-7978441645 [0,1,1,0,0,0|2,0,0]=4 599 B15R1.8312 O=C(O)CCC(=O)C1=C(C=CC=C1F)F MCULE-5316640474 [0,1,1,0,0,0|2,0,0]=4 600 B15R1.8420 CC1=C(C=C(C=C1)F)C(=O)CCC(=O)O MCULE-3379843819 [0,1,1,0,0,0|2,0,0]=4 601 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O MCULE-9528888610 [0,1,1,0,0,0|2,0,0]=4 602 B15R1.8420 CC1=CC(=C(C=C1)O)C(=O)CCC(=O)O MCULE-3125812363 [0,1,1,0,0,0|2,0,0]=4 603 B15R1.8420 CC1=CC=C(C=C1C(=O)CCC(=O)O)Cl MCULE-8066300435 [0,1,1,0,0,0|2,0,0]=4 604 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-8344112034 [0,1,1,0,0,0|2,0,0]=4 605 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)Cl)O MCULE-6833605014 [0,1,1,0,0,0|2,0,0]=4 606 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)F)F MCULE-3284798502 [0,1,1,0,0,0|2,0,0]=4 607 B15R1.1081 O=C(O)C/C=C\C(=O)NC1=CC=CC=C1 MCULE-6957197284 [0,1,1,0,0,0|0,0,1]=3 608 B15R1.1081 O=C(O)CCCC(=O)CC1=CC=CC=C1 MCULE-7275548894 [0,1,1,0,0,0|1,0,1]=4 609 B15R1.1081 O=C(O)CCCC(=O)NC1=CC=CC=C1 MCULE-1908128578 [0,1,1,0,0,0|0,0,1]=3 610 B15R1.1081 O=C(O)CCCC(=O)NC1=CN=CC=C1 MCULE-3755062775 [0,1,1,0,0,0|1,0,1]=4 611 B15R1.1081 O=C(O)CCCC(=O)NC1=NC=CC=C1 MCULE-5905640662 [0,1,1,0,0,0|1,0,1]=4 612 B15R1.1081 O=C(O)CCNC(=O)CC1=CC=CC=C1 MCULE-6468028504 [0,1,1,0,0,0|2,0,0]=4 613 B15R1.1081 O=C(O)CCNC(=O)NC1=CC=CC=C1 MCULE-3391026108 [0,1,1,0,0,0|1,0,0]=3 614 B15R1.1081 O=C(O)CCNC(=S)NC1=CC=CC=C1 MCULE-7522641547 [0,1,1,0,0,0|1,0,0]=3 615 B15R1.1081 O=C(O)COCC(=O)NC1=CC=CC=C1 MCULE-3958358943 [0,1,1,0,0,0|1,0,1]=4 616 B15R1.1081 O=C(O)CSCC(=O)NC1=CC=CC=C1 MCULE-7811560377 [0,1,1,0,0,0|1,0,1]=4 617 B15R1.5919 C/C(=N\NC1=CC=CC=C1)/CCC(=O)O MCULE-6861578602 [0,1,1,0,0,0|1,0,0]=3 618 B15R1.5919 CC(=NNC1=CC=CC=C1)CCC(=O)O MCULE-2893461265 [0,1,1,0,0,0|1,0,0]=3 619 B15R1.5919 O=C(O)CCC(=O)/C=C/C1=CC=CC=C1 MCULE-8199334181 [0,1,1,0,0,0|1,0,0]=3 620 B15R1.5919 O=C(O)CCC(=O)C=CC1=CC=CC=C1 MCULE-4098020419 [0,1,1,0,0,0|1,0,0]=3 621 B15R1.5919 O=C(O)CCC(=O)NCC1=CC=CC=C1 MCULE-8513990714 [0,1,1,0,0,0|2,0,0]=4 622 B15R1.5919 O=C(O)CCC(=O)NNC1=CC=CC=C1 MCULE-1806997883 [0,1,1,0,0,0|1,0,0]=3 623 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 MCULE-1536657444 [0,1,1,0,0,0|2,0,0]=4 624 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 MCULE-4112484958 [0,1,1,0,0,0|2,0,0]=4 625 B15R1.5919 O=C(O)CNC(=O)C=CC1=CC=CC=C1 MCULE-8785925741 [0,1,1,0,0,0|2,0,0]=4 626 B15R1.9084 NC(CC=CC1=CC=CC=C1)CC(=O)O MCULE-8227228320 [0,1,1,0,0,0|1,0,1]=4 627 B15R1.9084 NC(CC=CC1=CC=CC=C1)CC(=O)O MCULE-9803849104 [0,1,1,0,0,0|1,0,1]=4 628 B15R1.9084 N[C@@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-7365297082 [0,1,1,0,0,0|1,0,1]=4 629 B15R1.9084 N[C@@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-8184392231 [0,1,1,0,0,0|1,0,1]=4 630 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-1965705626 [0,1,1,0,0,0|1,0,1]=4 631 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-2926088698 [0,1,1,0,0,0|1,0,1]=4 632 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-3622423777 [0,1,1,0,0,0|1,0,1]=4 633 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-4869207977 [0,1,1,0,0,0|1,0,1]=4 634 B15R1.12293 CC(=O)C(CCC(=O)O)C1=CC=CC=C1 MCULE-5111875234 [0,1,1,0,0,0|1,0,1]=4 635 B15R1.12293 NC(=O)N(CCC(=O)O)C1=CC=CC=C1 MCULE-1248875996 [0,1,1,0,0,0|1,0,0]=3 636 B15R2.4 CCC(N)CC1=CNC2=C1C=CC=C2 MCULE-5651076502 [1,1,0,0,0,0|1,0,1]=4 637 B15R2.4 CCC(N)CC1=CNC2=C1C=CC=C2 MCULE-8710039661 [1,1,0,0,0,0|1,0,1]=4 638 B15R2.4 CCC(N)CC1=CNC2=CC=CC=C12 MCULE-7617108096 [1,1,0,0,0,0|1,0,1]=4 639 B15R2.4 CC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2042856337 [1,1,0,0,0,0|1,0,1]=4 640 B15R2.4 CC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9961177523 [1,1,0,0,0,0|1,0,1]=4 641 B15R2.4 CNC(C)CC1=CNC2=C1C=CC=C2 MCULE-7812720422 [1,1,0,0,0,0|2,0,0]=4 642 B15R2.4 N/C(=N/O)/CC1=CNC2=C1C=CC=C2 MCULE-3765624297 [1,1,0,0,0,0|1,0,1]=4 643 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4101569242 [1,1,0,0,0,0|0,0,1]=3 644 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4419819481 [1,1,0,0,0,0|0,0,1]=3 645 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-8757853264 [1,1,0,0,0,0|0,0,1]=3 646 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-5057169498 [1,1,0,0,0,0|0,0,1]=3 647 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-6263792283 [1,1,0,0,0,0|0,0,1]=3 648 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-7147570312 [1,1,0,0,0,0|0,0,1]=3 649 B15R2.4 N[C@@H](CO)CC1=CNC2=CC=CC=C12 MCULE-9591598328 [1,1,0,0,0,0|0,0,1]=3 650 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-1258780591 [1,1,0,0,0,0|0,0,1]=3 651 B15R2.4 [C@@H](N)(CO)CC1=CNC2=C1C=CC=C2 MCULE-7424777740 [1,1,0,0,0,0|0,0,1]=3 652 B15R2.5 N#CSCCC1=CNC2=C1C=CC=C2 MCULE-3179312754 [1,1,0,0,0,0|1,0,1]=4 653 B15R2.5 N#N=NCCC1=CNC2=C1C=CC=C2 MCULE-3761251765 [1,1,0,0,0,0|2,0,0]=4 654 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 MCULE-6711010140 [1,1,0,0,0,0|1,0,1]=4 655 B15R2.5 O=CNCCC1=CNC2=C1C=CC=C2 MCULE-2222832478 [1,1,0,0,0,0|0,0,0]=2 656 B15R2.5 O=CNCCC1=COC2=C1C=CC=C2 MCULE-6735163920 [1,1,0,0,0,0|1,0,0]=3 657 B15R2.65 CC1=C2NC=C(C2=CC=C1)CCCN MCULE-5373656763 [1,1,0,0,0,0|1,0,1]=4 658 B15R2.65 NCCCC1=CNC2=C(C=CC=C12)Br MCULE-7271294699 [1,1,0,0,0,0|1,0,1]=4 659 B15R2.65 NCCCC1=CNC2=C(C=CC=C12)Cl MCULE-5863200997 [1,1,0,0,0,0|1,0,1]=4 660 B15R2.65 NCCCC1=CNC2=C(C=CC=C12)Cl MCULE-7303623768 [1,1,0,0,0,0|1,0,1]=4 661 B15R2.65 NCCCC1=CNC2=C(C=CC=C12)F MCULE-2128097137 [1,1,0,0,0,0|1,0,1]=4 662 B15R2.73 C=CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-4303906411 [1,1,0,0,0,0|1,0,0]=3 663 B15R2.73 C=CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-8105214425 [1,1,0,0,0,0|1,0,0]=3 664 B15R2.73 C=CC[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-2232031331 [1,1,0,0,0,0|2,0,0]=4 665 B15R2.73 C=CC[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-2546643351 [1,1,0,0,0,0|2,0,0]=4 666 B15R2.73 C=CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1094918969 [1,1,0,0,0,0|1,0,0]=3 667 B15R2.73 C=CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-8337021197 [1,1,0,0,0,0|1,0,0]=3 668 B15R2.73 C=CC[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-1863027561 [1,1,0,0,0,0|2,0,0]=4 669 B15R2.73 C=CC[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-8998494566 [1,1,0,0,0,0|2,0,0]=4 670 B15R2.73 CC(CCO)C1=CNC2=C1C=CC=C2 MCULE-6633467549 [1,1,0,0,0,0|0,0,1]=3 671 B15R2.73 CCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-5688639569 [1,1,0,0,0,0|1,0,1]=4 672 B15R2.73 CCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9253056994 [1,1,0,0,0,0|1,0,1]=4 673 B15R2.73 CCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2511301077 [1,1,0,0,0,0|1,0,1]=4 674 B15R2.73 CCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-3683609765 [1,1,0,0,0,0|1,0,1]=4 675 B15R2.73 CNCC(O)C1=CNC2=CC=CC=C12 MCULE-3654098678 [1,1,0,0,0,0|2,0,0]=4 676 B15R2.73 N#CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3781565270 [1,1,0,0,0,0|1,0,1]=4 677 B15R2.73 N#CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-8136554076 [1,1,0,0,0,0|1,0,1]=4 678 B15R2.73 N#CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2425681728 [1,1,0,0,0,0|1,0,1]=4 679 B15R2.73 N#CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7777820268 [1,1,0,0,0,0|1,0,1]=4 680 B15R2.73 NCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-7377468942 [1,1,0,0,0,0|1,0,1]=4 681 B15R2.73 NCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-7714574859 [1,1,0,0,0,0|1,0,1]=4 682 B15R2.73 NCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1380158962 [1,1,0,0,0,0|1,0,1]=4 683 B15R2.73 NCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2080068518 [1,1,0,0,0,0|1,0,1]=4 684 B15R2.73 N[C@@H](CCF)C1=CNC2=CC=CC=C12 MCULE-1298680018 [1,1,0,0,0,0|1,0,1]=4 685 B15R2.73 N[C@@H](CCF)C1=CNC2=CC=CC=C12 MCULE-6534899465 [1,1,0,0,0,0|1,0,1]=4 686 B15R2.73 N[C@@H](CCO)C1=CNC2=C1C=CC=C2 MCULE-9609971524 [1,1,0,0,0,0|0,0,1]=3 687 B15R2.73 N[C@@H](CCO)C1=CNC2=CC=CC=C12 MCULE-1168622067 [1,1,0,0,0,0|0,0,1]=3 688 B15R2.73 N[C@@H](CCO)C1=CSC2=C1C=CC=C2 MCULE-7507887246 [1,1,0,0,0,0|1,0,1]=4 689 B15R2.73 N[C@@H](CCO)C1=CSC2=C1C=CC=C2 MCULE-8307983585 [1,1,0,0,0,0|1,0,1]=4 690 B15R2.73 N[C@H](CCF)C1=CNC2=CC=CC=C12 MCULE-2667311895 [1,1,0,0,0,0|1,0,1]=4 691 B15R2.73 N[C@H](CCF)C1=CNC2=CC=CC=C12 MCULE-9166741831 [1,1,0,0,0,0|1,0,1]=4 692 B15R2.73 N[C@H](CCO)C1=CNC2=C1C=CC=C2 MCULE-7580504004 [1,1,0,0,0,0|0,0,1]=3 693 B15R2.73 N[C@H](CCO)C1=CNC2=CC=CC=C12 MCULE-7951381447 [1,1,0,0,0,0|0,0,1]=3 694 B15R2.73 N[C@H](CCO)C1=CSC2=C1C=CC=C2 MCULE-8993739276 [1,1,0,0,0,0|1,0,1]=4 695 B15R2.73 N[C@H](CCO)C1=CSC2=C1C=CC=C2 MCULE-9764768724 [1,1,0,0,0,0|1,0,1]=4 696 B15R2.1385 CC1=CC=C2C(=CNC2=C1)CCCN MCULE-3054127477 [1,1,0,0,0,0|1,0,1]=4 697 B15R2.1385 CNCCC1=CNC2=C1C=CC(=C2)F MCULE-1164505597 [1,1,0,0,0,0|2,0,0]=4 698 B15R2.1385 NCCCC1=CNC2=CC(=CC=C12)Br MCULE-9688231998 [1,1,0,0,0,0|1,0,1]=4 699 B15R2.1385 NCCCC1=CNC2=CC(=CC=C12)Cl MCULE-4624630045 [1,1,0,0,0,0|1,0,1]=4 700 B15R2.1385 NCCCC1=CNC2=CC(=CC=C12)F MCULE-4098011357 [1,1,0,0,0,0|1,0,1]=4 701 B15R2.1428 CN1C=C(C2=C1C=CC=C2)/C=C/C=O MCULE-9943262802 [1,1,0,0,0,0|0,0,2]=4 702 B15R2.1428 CN1C=C(C2=C1C=CC=C2)CCC#N MCULE-9135070503 [1,1,0,0,0,0|1,0,1]=4 703 B15R2.1428 CN1C=C(C2=C1C=CC=C2)CCCN MCULE-8434906058 [1,1,0,0,0,0|1,0,1]=4 704 B15R2.1435 CC1=C(C2=C(N1)C=CC=C2)CCC#N MCULE-3534539435 [1,1,0,0,0,0|1,0,1]=4 705 B15R2.1435 CC1=C(C2=C(N1)C=CC=C2)CCCN MCULE-4019613679 [1,1,0,0,0,0|1,0,1]=4 706 B15R2.1435 CC1=C(C2=C(N1)C=CC=C2)CCCN MCULE-7229320259 [1,1,0,0,0,0|1,0,1]=4 707 B15R2.1435 O=C1NC2=C(C1CCCO)C=CC=C2 MCULE-2562250364 [1,1,0,0,0,0|0,0,2]=4 708 B15R2.1435 O=C1NC2=C(N1CCCO)C=CC=C2 MCULE-7866777285 [1,1,0,0,0,0|1,0,1]=4 709 B15R2.17667 CC1=C2C(=CNC2=CC=C1)CCCN MCULE-1445788470 [1,1,0,0,0,0|1,0,1]=4 710 B15R2.17667 CNCCC1=CNC2=C1C(=CC=C2)O MCULE-9180683232 [1,1,0,0,0,0|2,0,0]=4 711 B15R2.17667 NCCCC1=CNC2=CC=CC(=C12)Br MCULE-4354390075 [1,1,0,0,0,0|1,0,1]=4 712 B15R2.17667 NCCCC1=CNC2=CC=CC(=C12)Cl MCULE-4816142346 [1,1,0,0,0,0|1,0,1]=4 713 B15R2.17667 NCCCC1=CNC2=CC=CC(=C12)F MCULE-7123316991 [1,1,0,0,0,0|1,0,1]=4 714 B15R2.17719 CC1=CC=C2NC=C(C2=C1)CCCN MCULE-4520003199 [1,1,0,0,0,0|1,0,1]=4 715 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-1823155663 [1,1,0,0,0,0|2,0,0]=4 716 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-2918354234 [1,1,0,0,0,0|2,0,0]=4 717 B15R2.17719 NCCCC1=CNC2=C1C=C(C=C2)Br MCULE-5589265218 [1,1,0,0,0,0|1,0,1]=4 718 B15R2.17719 NCCCC1=CNC2=C1C=C(C=C2)F MCULE-2533283808 [1,1,0,0,0,0|1,0,1]=4 719 B15R2.17719 NCCCC1=CNC2=C1C=C(C=C2)F MCULE-9966650311 [1,1,0,0,0,0|1,0,1]=4 720 B15R2.17719 NCCCC1=CNC2=C1C=C(C=C2)I MCULE-4038685690 [1,1,0,0,0,0|1,0,1]=4 721 B15R2.17719 NCCCC1=CNC2=CC=C(C=C12)Br MCULE-9581223794 [1,1,0,0,0,0|1,0,1]=4 722 B15R2.17719 NCCCC1=CNC2=CC=C(C=C12)Cl MCULE-8078485200 [1,1,0,0,0,0|1,0,1]=4 723 B15R2.17719 OCCCC1=CNC2=C1C=C(C=C2)Br MCULE-1084149320 [1,1,0,0,0,0|0,0,1]=3 724 B15R2.17719 OCCCC1=CNC2=C1C=C(C=C2)F MCULE-4395974853 [1,1,0,0,0,0|0,0,1]=3 725 B15R2.17719 OCCCC1=CNC2=CC=C(C=C12)Cl MCULE-2821445160 [1,1,0,0,0,0|0,0,1]=3 726 B15R2.17719 [NH3+]CCCC1=CNC2=C1C=C(C=C2)C MCULE-6315348922 [1,1,0,0,0,0|1,0,1]=4 727 B15R2.17719 [NH3+]CCCC1=CNC2=C1C=C(C=C2)Cl MCULE-8195978965 [1,1,0,0,0,0|1,0,1]=4 728 B15R2.11 O=P(O)(O)OC1=CNC2=C1C=CC=C2 MCULE-4329951499 [0,1,0,0,1,0|2,0,0]=4 729 B15R2.11 O=S(=O)(O)OC1=CNC2=C1C=CC=C2 MCULE-2913964954 [0,1,0,0,1,0|2,0,0]=4 730 B15R2.377 CC(=O)CC1=CNC2=CC(=CC=C12)Cl MCULE-4367006692 [0,1,0,0,1,0|1,0,0]=3 731 B15R2.377 CC(=O)OC1=CNC2=C1C=CC(=C2)Br MCULE-8652630468 [0,1,0,0,1,0|2,0,0]=4 732 B15R2.377 CC(=O)OC1=CNC2=C1C=CC(=C2)Cl MCULE-1102968777 [0,1,0,0,1,0|2,0,0]=4 733 B15R2.377 CC1=CC2=C(C=C1)C(=CN2)CC(=O)O MCULE-1851230852 [0,1,0,0,1,0|0,0,0]=2 734 B15R2.377 CC1=CC2=C(C=C1)N(C=N2)CC(=O)O MCULE-1084596521 [0,1,0,0,1,0|1,0,1]=4 735 B15R2.377 CC1=CC2=C(C=C1)N(C=N2)CC(=O)O MCULE-3561070137 [0,1,0,0,1,0|1,0,1]=4 736 B15R2.377 CC1=CC=C2C(=C1)C=CN2CC(=O)O MCULE-5011690867 [0,1,0,0,1,0|2,0,0]=4 737 B15R2.377 CC1=CC=C2C(=C1)ON=C2CC(=O)O MCULE-1233355511 [0,1,0,0,1,0|2,0,0]=4 738 B15R2.377 CC1=CC=C2C(=COC2=C1)CC(=O)O MCULE-6577994358 [0,1,0,0,1,0|1,0,0]=3 739 B15R2.377 CC1=CC=C2C(=COC2=C1)CC(=O)[O-] MCULE-9619363901 [0,1,0,0,1,0|1,0,1]=4 740 B15R2.377 NC1=CC2=C(C=C1)N(C=N2)CC(=O)O MCULE-9001138899 [0,1,0,0,1,0|1,0,1]=4 741 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Br MCULE-5576207368 [0,1,0,0,1,0|0,0,0]=2 742 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl MCULE-8330371483 [0,1,0,0,1,0|0,0,0]=2 743 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F MCULE-5534512232 [0,1,0,0,1,0|0,0,0]=2 744 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=N2)Cl MCULE-2435711863 [0,1,0,0,1,0|1,0,0]=3 745 B15R2.377 O=C(O)CC1=CNC2=CC(=CC=C12)O MCULE-2932262739 [0,1,0,0,1,0|0,0,0]=2 746 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)F MCULE-4596349219 [0,1,0,0,1,0|1,0,0]=3 747 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)O MCULE-2650354142 [0,1,0,0,1,0|1,0,0]=3 748 B15R2.377 O=C(O)CC1=COC2=CC(=CC=C12)Br MCULE-8775600267 [0,1,0,0,1,0|1,0,0]=3 749 B15R2.377 O=C(O)CC1=COC2=CC(=CC=C12)Cl MCULE-2532015131 [0,1,0,0,1,0|1,0,0]=3 750 B15R2.377 O=C(O)CC1=NNC2=C1C=CC(=C2)Cl MCULE-2079572180 [0,1,0,0,1,0|1,0,0]=3 751 B15R2.377 O=C(O)CC1=NNC2=CC(=CC=C12)Br MCULE-8394406789 [0,1,0,0,1,0|1,0,0]=3 752 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)Br MCULE-2598613242 [0,1,0,0,1,0|2,0,0]=4 753 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)O MCULE-4593168478 [0,1,0,0,1,0|2,0,0]=4 754 B15R2.377 O=C(O)CC1=NOC2=CC(=CC=C12)Cl MCULE-2505954066 [0,1,0,0,1,0|2,0,0]=4 755 B15R2.377 O=C(O)CC1=NOC2=CC(=CC=C12)F MCULE-3609548251 [0,1,0,0,1,0|2,0,0]=4 756 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)Br MCULE-1184388743 [0,1,0,0,1,0|2,0,0]=4 757 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)F MCULE-2899872126 [0,1,0,0,1,0|2,0,0]=4 758 B15R2.377 O=C(O)CN1C=CC2=CC(=CC=C12)Cl MCULE-2944182089 [0,1,0,0,1,0|2,0,0]=4 759 B15R2.377 O=C(O)CN1C=NC2=C1C=CC(=C2)F MCULE-2789021379 [0,1,0,0,1,0|1,0,1]=4 760 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O MCULE-2477434025 [0,1,0,0,1,0|0,0,0]=2 761 B15R2.993 CC1=C(C2=C(N1)N=CC=C2)CC(=O)O MCULE-9803322745 [0,1,0,0,1,0|1,0,0]=3 762 B15R2.993 CC1=C(C2=C(O1)C=CC=C2)CC(=O)O MCULE-8034313758 [0,1,0,0,1,0|1,0,0]=3 763 B15R2.993 CC1=C(N2C=CC=CC2=N1)CC(=O)O MCULE-3779218621 [0,1,0,0,1,0|1,0,1]=4 764 B15R2.993 CC1=C(N2C=CC=CC2=N1)CC(=O)O MCULE-6008688494 [0,1,0,0,1,0|1,0,1]=4 765 B15R2.993 CC1=CC2=CC=CC=C2N1CC(=O)O MCULE-2919500641 [0,1,0,0,1,0|2,0,0]=4 766 B15R2.993 CC1=NC2=CC=CC=C2N1CC(=O)O MCULE-3143721209 [0,1,0,0,1,0|1,0,1]=4 767 B15R2.993 CC1=NC2=CC=CC=C2N1CC(=O)O MCULE-7323968439 [0,1,0,0,1,0|1,0,1]=4 768 B15R2.993 CC1=[N+](C2=C(S1)C=CC=C2)CC(=O)O MCULE-2814092707 [0,1,0,0,1,0|2,0,0]=4 769 B15R2.993 CC1=[N+](C2=C(S1)C=CC=C2)CC(=O)O MCULE-6917568314 [0,1,0,0,1,0|2,0,0]=4 770 B15R2.993 O=C(O)C=C1C(=O)NC2=CC=CC=C12 MCULE-2066261067 [0,1,0,0,1,0|0,0,1]=3 771 B15R2.993 O=C(O)CC1=C(SC2=C1C=CC=C2)Cl MCULE-5318260515 [0,1,0,0,1,0|1,0,0]=3 772 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 MCULE-2736811906 [0,1,0,0,1,0|0,0,1]=3 773 B15R2.993 O=C(O)CN1C(=CC2=C1C=CC=C2)I MCULE-8095832208 [0,1,0,0,1,0|2,0,0]=4 774 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 MCULE-5577141396 [0,1,0,0,1,0|2,0,0]=4 775 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 MCULE-1046043674 [0,1,0,0,1,0|1,0,0]=3 776 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 MCULE-4408323669 [0,1,0,0,1,0|2,0,0]=4 777 B15R2.993 O=C(O)CN1C(=O)SC2=C1C=CC=C2 MCULE-7125482113 [0,1,0,0,1,0|2,0,0]=4 778 B15R2.993 O=C(O)CN1C(=S)SC2=C1C=CC=C2 MCULE-4123228544 [0,1,0,0,1,0|2,0,0]=4 779 B15R2.1255 CC(C(=O)O)N1C=CC2=CC=CC=C12 MCULE-7771418365 [0,1,0,0,1,0|2,0,0]=4 780 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 MCULE-6976772317 [0,1,0,0,1,0|1,0,1]=4 781 B15R2.1255 CC(C(=O)O)N1C=[NH+]C2=CC=CC=C12 MCULE-5454710476 [0,1,0,0,1,0|1,0,1]=4 782 B15R2.1255 C[C@@H](C(=O)O)N1C=CC2=C1C=CC=C2 MCULE-3855599730 [0,1,0,0,1,0|2,0,0]=4 783 B15R2.1255 NC(=O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-8079887802 [0,1,0,0,1,0|1,0,1]=4 784 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-5090588064 [0,1,0,0,1,0|2,0,0]=4 785 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-8006798471 [0,1,0,0,1,0|2,0,0]=4 786 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,1,0,0,1,0|0,0,0]=2 787 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=N2 MCULE-6611768328 [0,1,0,0,1,0|1,0,0]=3 788 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,1,0,0,1,0|0,0,0]=2 789 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,1,0,0,1,0|0,0,0]=2 790 B15R2.1255 O=C(Cl)C(=O)C1=CNC2=C1C=CC=C2 MCULE-9933419210 [0,1,0,0,1,0|1,0,1]=4 791 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-3151156759 [0,1,0,0,1,0|0,0,1]=3 792 B15R2.1255 O=C(O)C(=O)C1=CNC2=NC=CC=C12 MCULE-4578394025 [0,1,0,0,1,0|1,0,1]=4 793 B15R2.1255 O=C(O)C(Br)C1=NOC2=CC=CC=C12 MCULE-4791446111 [0,1,0,0,1,0|2,0,0]=4 794 B15R2.1255 [NH3+][C@@H](C(=O)[O-])C1=CNC2=C1C=CC=C2 MCULE-2623705486 [0,1,0,0,1,0|0,0,1]=3 795 B15R2.9410 CC(=O)CC1=CNC2=CC=C(C=C12)Cl MCULE-9615898504 [0,1,0,0,1,0|1,0,0]=3 796 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(C=C2)C MCULE-7721591080 [0,1,0,0,1,0|2,0,0]=4 797 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(C=C2)F MCULE-1401178134 [0,1,0,0,1,0|2,0,0]=4 798 B15R2.9410 CC(=O)OC1=CNC2=CC=C(C=C12)Br MCULE-4252530481 [0,1,0,0,1,0|2,0,0]=4 799 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O MCULE-5038335178 [0,1,0,0,1,0|1,0,1]=4 800 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O MCULE-6937293644 [0,1,0,0,1,0|1,0,1]=4 801 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-9176085989 [0,1,0,0,1,0|1,0,0]=3 802 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-1757765395 [0,1,0,0,1,0|0,0,0]=2 803 B15R2.9410 CC1=CC2=C(C=C1)SC=C2CC(=O)O MCULE-3895461249 [0,1,0,0,1,0|1,0,0]=3 804 B15R2.9410 CC1=CC=C2OC=C(C2=C1)CC(=O)O MCULE-1336420816 [0,1,0,0,1,0|1,0,0]=3 805 B15R2.9410 CC1=CC=C2ON=C(C2=C1)CC(=O)O MCULE-5267416177 [0,1,0,0,1,0|2,0,0]=4 806 B15R2.9410 CC1=CN2C(=CN=C2C=C1)CC(=O)O MCULE-9081062761 [0,1,0,0,1,0|1,0,1]=4 807 B15R2.9410 NC(=O)CC1=CNC2=C1C=C(C=C2)Br MCULE-9805573352 [0,1,0,0,1,0|1,0,0]=3 808 B15R2.9410 NC(=O)CC1=COC2=CC=C(C=C12)F MCULE-4162480230 [0,1,0,0,1,0|2,0,0]=4 809 B15R2.9410 NC(=O)CC1=NNC2=C1C=C(C=C2)Cl MCULE-7212048121 [0,1,0,0,1,0|2,0,0]=4 810 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Br MCULE-7197362248 [0,1,0,0,1,0|0,0,0]=2 811 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl MCULE-6310723285 [0,1,0,0,1,0|0,0,0]=2 812 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)F MCULE-2430731854 [0,1,0,0,1,0|0,0,0]=2 813 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(N=C2)Cl MCULE-2050967010 [0,1,0,0,1,0|1,0,0]=3 814 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(N=C2)Cl MCULE-4430392183 [0,1,0,0,1,0|1,0,0]=3 815 B15R2.9410 O=C(O)CC1=CNC2=CC=C(C=C12)O MCULE-5193831459 [0,1,0,0,1,0|0,0,0]=2 816 B15R2.9410 O=C(O)CC1=CNC2=NC=C(C=C12)Br MCULE-3986082996 [0,1,0,0,1,0|1,0,0]=3 817 B15R2.9410 O=C(O)CC1=COC2=C1C=C(C=C2)F MCULE-7256135626 [0,1,0,0,1,0|1,0,0]=3 818 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br MCULE-2948177095 [0,1,0,0,1,0|1,0,0]=3 819 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl MCULE-9754763413 [0,1,0,0,1,0|1,0,0]=3 820 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)Br MCULE-5745706231 [0,1,0,0,1,0|1,0,0]=3 821 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)Cl MCULE-9136773619 [0,1,0,0,1,0|1,0,0]=3 822 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)F MCULE-3457719895 [0,1,0,0,1,0|1,0,0]=3 823 B15R2.9410 O=C(O)CC1=NNC2=C1C=C(C=C2)O MCULE-5879500600 [0,1,0,0,1,0|1,0,0]=3 824 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)Br MCULE-3370590759 [0,1,0,0,1,0|2,0,0]=4 825 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)F MCULE-5386401720 [0,1,0,0,1,0|2,0,0]=4 826 B15R2.9410 O=C(O)CC1=NOC2=CC=C(C=C12)Cl MCULE-9881026598 [0,1,0,0,1,0|2,0,0]=4 827 B15R2.9410 O=C(O)CC1=NOC2=CC=C(C=C12)O MCULE-4620797319 [0,1,0,0,1,0|2,0,0]=4 828 B15R2.9410 O=C(O)CC1CNC2=C1C=C(C=C2)Br MCULE-1192678071 [0,1,0,0,1,0|0,0,2]=4 829 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Br MCULE-4557408626 [0,1,0,0,1,0|2,0,0]=4 830 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)F MCULE-2249071902 [0,1,0,0,1,0|2,0,0]=4 831 B15R2.9410 O=C(O)CN1C=CC2=CC=C(C=C12)Cl MCULE-4291963565 [0,1,0,0,1,0|2,0,0]=4 832 B15R2.9410 O=C(O)CN1C=NC2=CC=C(C=C12)F MCULE-3845226655 [0,1,0,0,1,0|1,0,1]=4 833 B15R2.9410 O=C([O-])CC1=CNC2=C1C=C(C=C2)O MCULE-2088824557 [0,1,0,0,1,0|0,0,1]=3 834 B15R2.13587 CC(=O)OC1=CNC2=C(C=CC=C12)Cl MCULE-7319483621 [0,1,0,0,1,0|2,0,0]=4 835 B15R2.13587 CC1=C2C=CN(C2=CC=C1)CC(=O)O MCULE-2143107322 [0,1,0,0,1,0|2,0,0]=4 836 B15R2.13587 CC1=C2NC=C(C2=CC=C1)CC(=O)O MCULE-6230590211 [0,1,0,0,1,0|0,0,0]=2 837 B15R2.13587 CC1=C2ON=C(C2=CC=C1)CC(=O)O MCULE-5303401837 [0,1,0,0,1,0|2,0,0]=4 838 B15R2.13587 CC1=CC=CN2C1=NC=C2CC(=O)O MCULE-2937979030 [0,1,0,0,1,0|1,0,1]=4 839 B15R2.13587 CC1=CC=CN2C1=NC=C2CC(=O)O MCULE-9874430004 [0,1,0,0,1,0|1,0,1]=4 840 B15R2.13587 NC1=C2C=CN(C2=CC=C1)CC(=O)O MCULE-5487667572 [0,1,0,0,1,0|2,0,0]=4 841 B15R2.13587 O=C(O)CC1=CNC2=C(C=CC=C12)Br MCULE-9007116109 [0,1,0,0,1,0|0,0,0]=2 842 B15R2.13587 O=C(O)CC1=CNC2=C(C=CC=C12)Cl MCULE-6743940624 [0,1,0,0,1,0|0,0,0]=2 843 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2F MCULE-8030160256 [0,1,0,0,1,0|0,0,0]=2 844 B15R2.13587 O=C(O)CC1=NNC2=C(C=CC=C12)Br MCULE-4135223363 [0,1,0,0,1,0|1,0,0]=3 845 B15R2.13587 O=C(O)CC1=NNC2=C(C=CC=C12)Cl MCULE-4803967281 [0,1,0,0,1,0|1,0,0]=3 846 B15R2.13587 O=C(O)CC1=NOC2=C(C=CC=C12)Br MCULE-1558897256 [0,1,0,0,1,0|2,0,0]=4 847 B15R2.13587 O=C(O)CC1=NOC2=C(C=CC=C12)F MCULE-9313455847 [0,1,0,0,1,0|2,0,0]=4 848 B15R2.13587 O=C(O)CC1=NOC2=C1C=CC=C2Cl MCULE-2780489474 [0,1,0,0,1,0|2,0,0]=4 849 B15R2.13587 O=C(O)CN1C=CC2=C(C=CC=C12)Br MCULE-6813556277 [0,1,0,0,1,0|2,0,0]=4 850 B15R2.13587 O=C(O)CN1C=CC2=C(C=CC=C12)Cl MCULE-1283285696 [0,1,0,0,1,0|2,0,0]=4 851 B15R2.13587 O=C(O)CN1C=CC2=C1C=CC=C2F MCULE-5217420101 [0,1,0,0,1,0|2,0,0]=4 852 B15R2.13587 O=C(O)CN1C=NC2=C(C=CC=C12)F MCULE-6321834838 [0,1,0,0,1,0|1,0,1]=4 853 B15R2.13624 CC(=O)CC1=CNC2=CC=CC(=C12)Cl MCULE-6944176404 [0,1,0,0,1,0|1,0,0]=3 854 B15R2.13624 CC(=O)CC1=CNC2=CC=CC(=C12)F MCULE-6372707059 [0,1,0,0,1,0|1,0,0]=3 855 B15R2.13624 CC(=O)OC1=CNC2=CC=CC(=C12)F MCULE-9760813120 [0,1,0,0,1,0|2,0,0]=4 856 B15R2.13624 CC(=O)OC1=CNC2=CC=CC(=C12)I MCULE-6208379327 [0,1,0,0,1,0|2,0,0]=4 857 B15R2.13624 CC(=O)OC1=CNC2=CC=CC(=C12)N MCULE-7945464622 [0,1,0,0,1,0|2,0,0]=4 858 B15R2.13624 CC1=C2C(=CC=C1)C=CN2CC(=O)O MCULE-2760013779 [0,1,0,0,1,0|2,0,0]=4 859 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O MCULE-7906795026 [0,1,0,0,1,0|0,0,0]=2 860 B15R2.13624 NC(=O)CC1=CNC2=C1C(=CC=C2)O MCULE-9143898485 [0,1,0,0,1,0|1,0,0]=3 861 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Br MCULE-3750478780 [0,1,0,0,1,0|0,0,0]=2 862 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Cl MCULE-1860664726 [0,1,0,0,1,0|0,0,0]=2 863 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)F MCULE-3412252005 [0,1,0,0,1,0|0,0,0]=2 864 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)O MCULE-9125368599 [0,1,0,0,1,0|0,0,0]=2 865 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=N2)Cl MCULE-2006817564 [0,1,0,0,1,0|1,0,0]=3 866 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=N2)Cl MCULE-7038932779 [0,1,0,0,1,0|1,0,0]=3 867 B15R2.13624 O=C(O)CC1=CNC2=NC=CC(=C12)Br MCULE-7893526030 [0,1,0,0,1,0|1,0,0]=3 868 B15R2.13624 O=C(O)CC1=NOC2=CC=CC(=C12)Br MCULE-4027992161 [0,1,0,0,1,0|2,0,0]=4 869 B15R2.13624 O=C(O)CC1=NOC2=CC=CC(=C12)Cl MCULE-6579940253 [0,1,0,0,1,0|2,0,0]=4 870 B15R2.13624 O=C(O)CN1C=CC2=C1C(=CC=C2)F MCULE-2457253773 [0,1,0,0,1,0|2,0,0]=4 871 B15R2.13624 O=C(O)CN1C=NC2=C1C(=CC=C2)F MCULE-1775248770 [0,1,0,0,1,0|1,0,1]=4 872 B15R2.53147 CC(=O)OC1=CN(C2=C1C=CC=C2)C MCULE-1881490859 [0,1,0,0,1,0|2,0,0]=4 873 B15R2.53147 CC1=CN(C2=CC=CC=C12)CC(=O)O MCULE-3728551943 [0,1,0,0,1,0|2,0,0]=4 874 B15R2.53147 CN1C=C(C2=CC=CC=C12)CC(=O)N MCULE-1090608814 [0,1,0,0,1,0|1,0,0]=3 875 B15R2.53147 CN1C=C(C2=CC=CC=C12)CC(=O)O MCULE-4439939699 [0,1,0,0,1,0|0,0,0]=2 876 B15R2.53147 CN1N=C(C2=C1C=CC=C2)CC(=O)O MCULE-2496177776 [0,1,0,0,1,0|1,0,0]=3 877 B17R2.4 C=CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4792628649 [0,1,0,0,0,1|1,0,0]=3 878 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9497470499 [0,1,0,0,0,1|1,0,0]=3 879 B17R2.4 CNC(=O)NCCC1=CNC2=NC=CC=C12 MCULE-8243894185 [0,1,0,0,0,1|2,0,0]=4 880 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 MCULE-4645011852 [0,1,0,0,0,1|1,1,0]=4 881 B17R2.4 COC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-3786832869 [0,1,0,0,0,1|0,0,0]=2 882 B17R2.4 COC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-5458659698 [0,1,0,0,0,1|0,0,0]=2 883 B17R2.4 COC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3403317723 [0,1,0,0,0,1|1,0,1]=4 884 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-1113251537 [0,1,0,0,0,1|1,0,0]=3 885 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4950900726 [0,1,0,0,0,1|1,0,0]=3 886 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 MCULE-6387956078 [0,1,0,0,0,1|1,0,0]=3 887 B17R2.4 O=C(CO)NN=CC1=CNC2=CC=CC=C12 MCULE-9280058455 [0,1,0,0,0,1|1,0,1]=4 888 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,1,0,0,0,1|0,0,0]=2 889 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-3550791751 [0,1,0,0,0,1|1,0,0]=3 890 B17R2.39 CC(CC1=CNC2=C1C=CC=C2)NC(=O)N MCULE-7752352556 [0,1,0,0,0,1|1,0,0]=3 891 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,1,0,0,0,1|0,0,0]=2 892 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,1,0,0,0,1|0,0,0]=2 893 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,1,0,0,0,1|1,0,0]=3 894 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,1,0,0,0,1|1,0,0]=3 895 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,1,0,0,0,1|0,0,0]=2 896 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,1,0,0,0,1|0,0,0]=2 897 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,1,0,0,0,1|0,0,0]=2 898 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,1,0,0,0,1|0,0,0]=2 899 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,1,0,0,0,1|1,0,0]=3 900 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,1,0,0,0,1|1,0,0]=3 901 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,1,0,0,0,1|1,0,0]=3 902 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,1,0,0,0,1|1,0,0]=3 903 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,1,0,0,0,1|0,0,0]=2 904 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,1,0,0,0,1|0,0,0]=2 905 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,1,0,0,0,1|0,0,0]=2 906 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,1,0,0,0,1|0,0,0]=2 907 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,1,0,0,0,1|1,0,0]=3 908 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,1,0,0,0,1|1,0,0]=3 909 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,1,0,0,0,1|1,0,0]=3 910 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,1,0,0,0,1|1,0,0]=3 911 B17R2.877 CC(=O)NCC(O)C1=CNC2=C1C=CC=C2 MCULE-6719748377 [0,1,0,0,0,1|1,0,0]=3 912 B17R2.877 CC(=O)OCC(=O)C1=CNC2=C1C=CC=C2 MCULE-3203276983 [0,1,0,0,0,1|1,0,1]=4 913 B17R2.877 O=C(O)CCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5888343819 [0,1,0,0,0,1|0,0,0]=2 914 B17R2.877 O=C(O)CCC(=O)C1=CSC2=C1C=CC=C2 MCULE-6969818889 [0,1,0,0,0,1|1,0,0]=3 915 B17R2.877 O=C(O)CCC(=O)C1CNC2=C1C=CC=C2 MCULE-5987271116 [0,1,0,0,0,1|0,0,2]=4 916 B17R2.877 O=C(O)CCC(=O)N1C=CC2=CC=CC=C12 MCULE-8491647836 [0,1,0,0,0,1|2,0,0]=4 917 B17R2.877 O=C(O)CCC(=O)N1C=NC2=CC=CC=C12 MCULE-2149007089 [0,1,0,0,0,1|1,0,1]=4 918 B17R2.877 O=C(O)CNC(=O)C1=NNC2=CC=CC=C12 MCULE-7676644066 [0,1,0,0,0,1|1,0,1]=4 919 B17R2.3451 O=C(O)CCCN1C=CC2=C1C=CC(=C2)Cl MCULE-3439712326 [0,1,0,0,0,1|2,0,0]=4 920 B17R2.5025 CC(=O)NCCC1=C(NC2=C1C=CC=C2)Br MCULE-2178569993 [0,1,0,0,0,1|1,0,0]=3 921 B17R2.5025 CC(=O)NCCC1=C(NC2=CC=CC=C12)C MCULE-1737840553 [0,1,0,0,0,1|1,0,0]=3 922 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)N MCULE-6692108952 [0,1,0,0,0,1|1,0,0]=3 923 B17R2.5025 CC1=NC2=CC=CC=C2N1CCCC(=O)O MCULE-9839413543 [0,1,0,0,0,1|1,0,1]=4 924 B17R2.5025 NC(=O)CNC=C1C(=O)NC2=C1C=CC=C2 MCULE-3891723129 [0,1,0,0,0,1|1,0,1]=4 925 B17R2.5025 O=C(O)CCCC1=C(NC2=C1C=CC=C2)Br MCULE-9724123135 [0,1,0,0,0,1|0,0,0]=2 926 B17R2.5025 O=C(O)CCCC1C(=O)NC2=C1C=CC=C2 MCULE-4525802423 [0,1,0,0,0,1|0,0,1]=3 927 B17R2.5025 O=C(O)CCCN1C(=O)CC2=CC=CC=C12 MCULE-6709322130 [0,1,0,0,0,1|2,0,0]=4 928 B17R2.5025 O=C(O)CCCN1C(=O)NC2=C1C=CC=C2 MCULE-8350839646 [0,1,0,0,0,1|1,0,0]=3 929 B17R2.5025 O=C(O)CCCN1C(=O)OC2=CC=CC=C12 MCULE-9392692147 [0,1,0,0,0,1|2,0,0]=4 930 B17R2.5025 O=C(O)CCCN1C2=CC=CC=C2N=C1S MCULE-1088628004 [0,1,0,0,0,1|1,0,1]=4 931 B17R2.5025 O=C(O)CNC=C1C(=O)NC2=C1C=CC=C2 MCULE-4873109849 [0,1,0,0,0,1|0,0,1]=3 932 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [0,1,0,0,0,1|1,0,0]=3 933 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [0,1,0,0,0,1|1,0,0]=3 934 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [0,1,0,0,0,1|1,0,0]=3 935 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [0,1,0,0,0,1|1,0,0]=3 936 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [0,1,0,0,0,1|1,0,0]=3 937 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [0,1,0,0,0,1|1,0,0]=3 938 B17R2.25462 O=C(O)CCCC1=CNC2=C1C=C(C=C2)F MCULE-2981152241 [0,1,0,0,0,1|0,0,0]=2 939 B17R2.25462 O=C(O)CCCC1=CNC2=CC=C(C=C12)Br MCULE-8939612998 [0,1,0,0,0,1|0,0,0]=2 940 B17R2.78537 CN1C=C(C2=C1C=CC=C2)CCCC(=O)O MCULE-6734730678 [0,1,0,0,0,1|0,0,0]=2 941 B17R2.556 COC(=O)COC1=CC=C2C=CC=CC2=C1 MCULE-9492905544 [0,1,0,0,0,1|2,0,0]=4 942 B17R2.556 COC(=O)CSC1=NC2=CC=CC=C2N=C1 MCULE-7153826463 [0,1,0,0,0,1|1,0,1]=4 943 B17R2.556 O=C(CSC1=CC=C2C=CC=CC2=C1)OO MCULE-9676221144 [0,1,0,0,0,1|2,0,0]=4 944 B17R2.5006 CC1=C(C=C2C=CC=NC2=N1)CCC(=O)O MCULE-7420487615 [0,1,0,0,0,1|1,0,1]=4 945 B17R2.5006 CC1=C(N=C2C=CC=CC2=N1)SCC(=O)O MCULE-3408453352 [0,1,0,0,0,1|1,0,1]=4 946 B17R2.5006 O=C(O)C=CC1=CC2=CC=CC=C2NC1=O MCULE-4601637496 [0,1,0,0,0,1|0,0,2]=4 947 B17R2.5006 O=C(O)CCC1=CC2=CC=CC=C2NC1=O MCULE-4712555643 [0,1,0,0,0,1|0,0,0]=2 948 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O MCULE-4630620270 [0,1,0,0,0,1|0,0,0]=2 949 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)OC1=O MCULE-4225008515 [0,1,0,0,0,1|1,0,0]=3 950 B17R2.5006 O=C(O)CCC1=NC2=CC=CN=C2NC1=O MCULE-1942621189 [0,1,0,0,0,1|1,0,0]=3 951 B17R2.5006 O=C(O)CCC1CC2=C(C=CC=C2)NC1=O MCULE-8952051105 [0,1,0,0,0,1|0,0,1]=3 952 B17R2.5006 O=C(O)CCC1OC2=CC=CC=C2NC1=O MCULE-6551154692 [0,1,0,0,0,1|0,0,1]=3 953 B17R2.5006 O=C(O)CCC1SC2=C(C=CC=C2)NC1=O MCULE-9780333263 [0,1,0,0,0,1|0,0,1]=3 954 B17R2.5006 O=C(O)CSC1=C(N=C2C=CC=CC2=N1)O MCULE-1001723865 [0,1,0,0,0,1|1,0,1]=4 955 B17R2.5006 O=C(O)CSC1=NC2=CC=CC=C2N=C1Cl MCULE-8030970280 [0,1,0,0,0,1|1,0,1]=4 956 B17R2.9167 CC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-2645994732 [0,1,0,0,0,1|1,0,0]=3 957 B17R2.9167 CC(CC1=NC2=C(C=CC=C2)N=C1)C(=O)O MCULE-5974144131 [0,1,0,0,0,1|0,0,1]=3 958 B17R2.9167 CC(OC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-4185766300 [0,1,0,0,0,1|2,0,0]=4 959 B17R2.9167 CC(SC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-2556584905 [0,1,0,0,0,1|2,0,0]=4 960 B17R2.9167 CC(SC1=NC2=C(C=CC=C2)N=C1)C(=O)O MCULE-2599768282 [0,1,0,0,0,1|1,0,1]=4 961 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1408013718 [0,1,0,0,0,1|2,0,0]=4 962 B17R2.9167 NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 MCULE-2074984558 [0,1,0,0,0,1|2,0,0]=4 963 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-6952461288 [0,1,0,0,0,1|1,0,0]=3 964 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-9711104731 [0,1,0,0,0,1|1,0,0]=3 965 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6903330528 [0,1,0,0,0,1|1,0,0]=3 966 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7107565830 [0,1,0,0,0,1|1,0,0]=3 967 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-8062406666 [0,1,0,0,0,1|1,0,0]=3 968 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-4097504210 [0,1,0,0,0,1|1,0,0]=3 969 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5929822596 [0,1,0,0,0,1|1,0,0]=3 970 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6838251171 [0,1,0,0,0,1|1,0,0]=3 971 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7044608619 [0,1,0,0,0,1|1,0,0]=3 972 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3308554372 [0,1,0,0,0,1|1,0,0]=3 973 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5015802007 [0,1,0,0,0,1|1,0,0]=3 974 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-7964984777 [0,1,0,0,0,1|1,0,0]=3 975 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-9822109349 [0,1,0,0,0,1|1,0,0]=3 976 B17R2.9167 N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-2235392937 [0,1,0,0,0,1|1,0,0]=3 977 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1713629999 [0,1,0,0,0,1|1,0,0]=3 978 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-6228267929 [0,1,0,0,0,1|1,0,0]=3 979 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-5020668122 [0,1,0,0,0,1|1,0,0]=3 980 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9553125479 [0,1,0,0,0,1|1,0,0]=3 981 B17R2.9167 N[C@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3603574921 [0,1,0,0,0,1|1,0,0]=3 982 B17R2.9167 N[C@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-3393121490 [0,1,0,0,0,1|1,0,0]=3 983 B17R2.9167 O=C(O)C(=O)CC1=CC2=C(C=CC=C2)C=C1 MCULE-9220487829 [0,1,0,0,0,1|1,0,1]=4 984 B17R2.18967 CC(=O)CC(O)C1=CC=C2C=CC=CC2=N1 MCULE-4342011697 [0,1,0,0,0,1|2,0,0]=4 985 B17R2.18967 NC(CC(=O)O)C1=CC2=C(C=CC=C2)C=C1 MCULE-9370553061 [0,1,0,0,0,1|1,0,0]=3 986 B17R2.18967 NC(CC(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-3950165281 [0,1,0,0,0,1|1,0,0]=3 987 B17R2.18967 N[C@@H](CC(=O)O)C1=CC2=C(C=CC=C2)C=C1 MCULE-9427753819 [0,1,0,0,0,1|1,0,0]=3 988 B17R2.18967 N[C@@H](CC(=O)O)C1=CC2=CC=CC=C2C=C1 MCULE-4158428748 [0,1,0,0,0,1|1,0,0]=3 989 B17R2.18967 N[C@@H](CC(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-8987053889 [0,1,0,0,0,1|1,0,0]=3 990 B17R2.18967 N[C@@H](CC(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-9405203513 [0,1,0,0,0,1|1,0,0]=3 991 B17R2.18967 N[C@H](CC(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-2001349749 [0,1,0,0,0,1|1,0,0]=3 992 B17R2.18967 N[C@H](CC(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-3720610696 [0,1,0,0,0,1|1,0,0]=3 993 B17R2.18967 N[C@H](CC(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-4584668624 [0,1,0,0,0,1|1,0,0]=3 994 B17R2.18967 [NH+]1=C2C=CC=CC2=CC=C1C(O)CC(=O)C MCULE-7810707715 [0,1,0,0,0,1|2,0,0]=4 995 B17R2.19759 O=C(O)COC1=CC2=C(C=C1)C=C(C=C2)Br MCULE-7040453305 [0,1,0,0,0,1|2,0,0]=4 996 B17R2.19759 O=C(O)CSC1=CC2=C(C=C1)C=C(C=C2)O MCULE-8081877484 [0,1,0,0,0,1|2,0,0]=4 997 B17R2.40403 CC1=CC(=NC2=CC=CC=C12)SCC(=O)O MCULE-4449698664 [0,1,0,0,0,1|2,0,0]=4 998 B17R2.40403 O=C(O)CCC1=NC2=C(C=CC=C2)C(=O)N1 MCULE-9759862525 [0,1,0,0,0,1|2,0,0]=4 999 B17R2.155580 O=C(O)CCC1=C(C2=C(C=CC=C2)C=C1)Br MCULE-2656347014 [0,1,0,0,0,1|1,0,0]=3 1000 B17R2.155580 O=C(O)CCC1=C(C2=C(C=CC=C2)C=C1)O MCULE-9014568150 [0,1,0,0,0,1|1,0,0]=3 1001 B17R2.155580 O=C(O)CCN1C=NC2=C(C1=O)C=CC=C2 MCULE-3825391711 [0,1,0,0,0,1|1,0,1]=4 1002 B17R2.155580 O=C(O)CCN1C=NC2=CC=CC=C2C1=O MCULE-1973714125 [0,1,0,0,0,1|1,0,1]=4 1003 B17R2.155580 O=C(O)COC1=C(C2=CC=CC=C2C=C1)Br MCULE-3538075890 [0,1,0,0,0,1|2,0,0]=4 1004 B17R2.155580 O=C(O)CSC1=C(C2=CC=CC=C2C=C1)Br MCULE-3397163681 [0,1,0,0,0,1|2,0,0]=4 1005 B17R2.3462 O=C(O)CNC1=C2C=CC(=CC2=NC=N1)Cl MCULE-6113493675 [0,1,0,0,0,1|1,0,1]=4 1006 B17R2.3462 O=C(O)CSC1=CC=NC2=CC(=CC=C12)Cl MCULE-8264454380 [0,1,0,0,0,1|1,0,1]=4 1007 B17R2.5014 CC1=CC(=C2C=CC=CC2=N1)OCC(=O)O MCULE-2227893173 [0,1,0,0,0,1|1,0,1]=4 1008 B17R2.5014 CC1=CC(=C2C=CC=CC2=N1)SCC(=O)O MCULE-4602971568 [0,1,0,0,0,1|1,0,1]=4 1009 B17R2.5014 O=C(O)CNC1=NC(=NC2=CC=CC=C12)Cl MCULE-4671860157 [0,1,0,0,0,1|1,0,1]=4 1010 B17R2.5014 O=C(O)COC1=CC(=O)NC2=C1C=CC=C2 MCULE-2379933238 [0,1,0,0,0,1|1,0,0]=3 1011 B17R2.5014 O=C(O)COC1=CC(=O)OC2=C1C=CC=C2 MCULE-7592916903 [0,1,0,0,0,1|2,0,0]=4 1012 B17R2.5385 O=C(O)CCC1=C(C=CC2=C1C=CC=C2)O MCULE-8772079011 [0,1,0,0,0,1|1,0,0]=3 1013 B17R2.5385 O=C(O)CCN1C(=O)CCC2=C1C=CC=C2 MCULE-8156181758 [0,1,0,0,0,1|2,0,0]=4 1014 B17R2.5385 O=C(O)CCN1C(=O)COC2=C1C=CC=C2 MCULE-5533538185 [0,1,0,0,0,1|2,0,0]=4 1015 B17R2.5385 O=C(O)CCN1C(=O)CSC2=C1C=CC=C2 MCULE-3445072835 [0,1,0,0,0,1|2,0,0]=4 1016 B17R2.19944 CC1=CC=C2N=CN=C(C2=C1)NCC(=O)O MCULE-6677661970 [0,1,0,0,0,1|1,0,1]=4 1017 B17R2.19944 CC1=CC=C2N=CN=C(C2=C1)NCC(=O)O MCULE-7244237657 [0,1,0,0,0,1|1,0,1]=4 1018 B17R2.19944 O=C(O)CNC1=NC=NC2=CC=C(C=C12)Br MCULE-6281589563 [0,1,0,0,0,1|1,0,1]=4 1019 B17R2.19944 O=C(O)CNC1=NC=NC2=CC=C(C=C12)Br MCULE-7319744768 [0,1,0,0,0,1|1,0,1]=4 1020 B17R2.19944 O=C(O)COC1=CC=NC2=CC=C(C=C12)F MCULE-5560197923 [0,1,0,0,0,1|1,0,1]=4 1021 B17R2.19944 O=C(O)CSC1=CC=NC2=CC=C(C=C12)Cl MCULE-9303325949 [0,1,0,0,0,1|1,0,1]=4 1022 B17R2.39629 CC1=C2C=CC=CC2=[N+](C=C1)CCC(=O)O MCULE-2268809727 [0,1,0,0,0,1|2,0,0]=4 1023 B17R2.39629 CC1=C2C=CC=CC2=[N+](C=C1)CCC(=O)O MCULE-8006015663 [0,1,0,0,0,1|2,0,0]=4 1024 B17R2.39629 CC1=CC=C(C2=C1C=CC=C2)CCC(=O)O MCULE-3283203148 [0,1,0,0,0,1|1,0,0]=3 1025 B17R2.39629 O=C(O)CCC1=C2C=CC=CC2=C(C=C1)F MCULE-8590627917 [0,1,0,0,0,1|1,0,0]=3 1026 B17R2.39629 O=C(O)CCC1=C2C=CC=NC2=C(C=C1)O MCULE-5642160823 [0,1,0,0,0,1|2,0,0]=4 1027 B17R2.39629 O=C(O)CCC1=NNC(=O)C2=CC=CC=C12 MCULE-3427392665 [0,1,0,0,0,1|1,0,0]=3 1028 B17R2.39629 O=C(O)CCN1C=CC(=O)C2=CC=CC=C12 MCULE-7767216414 [0,1,0,0,0,1|2,0,0]=4 1029 B17R2.39629 O=C(O)CCN1N=CC(=O)C2=C1C=CC=C2 MCULE-3495361579 [0,1,0,0,0,1|2,0,0]=4 1030 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Br MCULE-7431971671 [0,1,0,0,0,1|2,0,0]=4 1031 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Cl MCULE-2300200893 [0,1,0,0,0,1|2,0,0]=4 1032 B17R2.39629 O=C(O)CSC1=NC=C(C2=CC=CC=C12)Cl MCULE-3022144936 [0,1,0,0,0,1|2,0,0]=4 1033 B17R2.252033 O=C(O)CSC1=C2C(=CC=CC2=CC=C1)Cl MCULE-5185701554 [0,1,0,0,0,1|2,0,0]=4 1034 B17R2.353364 CNC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1961662557 [0,1,0,0,0,1|2,0,0]=4 1035 B17R2.353364 COC(=O)CCC1=CC=CC2=C1C=CC=C2 MCULE-1754131025 [0,1,0,0,0,1|1,0,0]=3 1036 B17R2.353364 COC(=O)CCC1=CC=CC2=C1C=CN=C2 MCULE-9383953584 [0,1,0,0,0,1|2,0,0]=4 1037 B17R2.353364 COC(=O)COC1=CC=CC2=CC=CC=C12 MCULE-2382883763 [0,1,0,0,0,1|2,0,0]=4 1038 B17R2.353364 COC(=O)NCC1=CC=CC2=CC=CC=C12 MCULE-9778019773 [0,1,0,0,0,1|2,0,0]=4 1039 B17R2.520754 CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1824482825 [0,1,0,0,0,1|1,0,0]=3 1040 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-1307398874 [0,1,0,0,0,1|0,0,1]=3 1041 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-5466494858 [0,1,0,0,0,1|0,0,1]=3 1042 B17R2.520754 CC(CC1=C2C=CC=CC2=NC=C1)C(=O)O MCULE-5939849585 [0,1,0,0,0,1|0,0,1]=3 1043 B17R2.520754 CC(NC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-2743350618 [0,1,0,0,0,1|2,0,0]=4 1044 B17R2.520754 CC(NC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-5005264095 [0,1,0,0,0,1|1,0,1]=4 1045 B17R2.520754 CC(NC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-9059979648 [0,1,0,0,0,1|1,0,1]=4 1046 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1240706645 [0,1,0,0,0,1|2,0,0]=4 1047 B17R2.520754 CC(SC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-2881385608 [0,1,0,0,0,1|1,0,1]=4 1048 B17R2.520754 C[C@H](NC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8611812916 [0,1,0,0,0,1|2,0,0]=4 1049 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1682014366 [0,1,0,0,0,1|1,0,0]=3 1050 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7621787279 [0,1,0,0,0,1|1,0,0]=3 1051 B17R2.520754 NC(CC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-4033199506 [0,1,0,0,0,1|1,0,0]=3 1052 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-2185623458 [0,1,0,0,0,1|0,0,1]=3 1053 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-4349632846 [0,1,0,0,0,1|0,0,1]=3 1054 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4205242976 [0,1,0,0,0,1|1,0,0]=3 1055 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4718361306 [0,1,0,0,0,1|1,0,0]=3 1056 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7852162590 [0,1,0,0,0,1|1,0,0]=3 1057 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8754238893 [0,1,0,0,0,1|1,0,0]=3 1058 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3259277930 [0,1,0,0,0,1|0,0,1]=3 1059 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6271768059 [0,1,0,0,0,1|0,0,1]=3 1060 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6636488216 [0,1,0,0,0,1|0,0,1]=3 1061 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6922954844 [0,1,0,0,0,1|0,0,1]=3 1062 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2667281684 [0,1,0,0,0,1|1,0,0]=3 1063 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4503526156 [0,1,0,0,0,1|1,0,0]=3 1064 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8782361400 [0,1,0,0,0,1|1,0,0]=3 1065 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-9955614853 [0,1,0,0,0,1|1,0,0]=3 1066 B17R2.520754 N[C@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3795682049 [0,1,0,0,0,1|0,0,1]=3 1067 B17R2.712041 CN(CC(=O)O)C1=NC=NC2=CC=CC=C12 MCULE-3395378763 [0,1,0,0,0,1|1,0,1]=4 1068 B17R2.712041 NC(CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3237281384 [0,1,0,0,0,1|1,0,0]=3 1069 B17R2.712041 NC(CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-2918741223 [0,1,0,0,0,1|1,0,0]=3 1070 B17R2.712041 N[C@@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-8424605918 [0,1,0,0,0,1|1,0,0]=3 1071 B17R2.712041 N[C@@H](CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7981765145 [0,1,0,0,0,1|1,0,0]=3 1072 B17R2.712041 N[C@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-1081777319 [0,1,0,0,0,1|1,0,0]=3 1073 B17R2.712041 N[C@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-5466395640 [0,1,0,0,0,1|1,0,0]=3 1074 B17R2.712041 N[C@H](CC(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-6216975558 [0,1,0,0,0,1|1,0,0]=3 1075 B17R2.712041 N[C@H](CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7823074257 [0,1,0,0,0,1|1,0,0]=3 1076 B17R2.7 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4418170102 [0,2,0,0,0,0|1,0,0]=3 1077 B17R2.7 CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8806874695 [0,2,0,0,0,0|1,0,0]=3 1078 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-2035601601 [0,2,0,0,0,0|1,0,0]=3 1079 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-6400798643 [0,2,0,0,0,0|1,0,0]=3 1080 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-1180328243 [0,2,0,0,0,0|0,0,0]=2 1081 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-7472928093 [0,2,0,0,0,0|0,0,0]=2 1082 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1375533696 [0,2,0,0,0,0|0,0,0]=2 1083 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4257766936 [0,2,0,0,0,0|0,0,0]=2 1084 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6127245906 [0,2,0,0,0,0|0,0,0]=2 1085 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6598811236 [0,2,0,0,0,0|0,0,0]=2 1086 B17R2.7 COC(=O)C(N)CC1=CNC2=NC=CC=C12 MCULE-9983960597 [0,2,0,0,0,0|1,0,0]=3 1087 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3606983263 [0,2,0,0,0,0|0,0,0]=2 1088 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4257219539 [0,2,0,0,0,0|0,0,0]=2 1089 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-5014804775 [0,2,0,0,0,0|0,0,0]=2 1090 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9077719590 [0,2,0,0,0,0|0,0,0]=2 1091 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7078756778 [0,2,0,0,0,0|0,0,0]=2 1092 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8527952510 [0,2,0,0,0,0|0,0,0]=2 1093 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-7129192240 [0,2,0,0,0,0|0,0,0]=2 1094 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-9568756958 [0,2,0,0,0,0|0,0,0]=2 1095 B17R2.138 CC(C)(CC1=CNC2=C1C=CC=C2)N(=O)=O MCULE-1825726553 [0,2,0,0,0,0|1,0,1]=4 1096 B17R2.138 CC(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1093341027 [0,2,0,0,0,0|0,0,0]=2 1097 B17R2.138 CC(N)(CC1=CSC2=CC=CC=C12)C(=O)O MCULE-2962241833 [0,2,0,0,0,0|1,0,0]=3 1098 B17R2.138 C[C@@](N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5227549219 [0,2,0,0,0,0|0,0,0]=2 1099 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1032417051 [0,2,0,0,0,0|0,0,0]=2 1100 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9776911359 [0,2,0,0,0,0|0,0,0]=2 1101 B17R2.289 CCC(CC1=CNC2=C1C=CC=C2)N(=O)=O MCULE-9130538759 [0,2,0,0,0,0|1,0,1]=4 1102 B17R2.289 CCC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4925106628 [0,2,0,0,0,0|1,0,0]=3 1103 B17R2.289 CNC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7141702170 [0,2,0,0,0,0|0,0,0]=2 1104 B17R2.289 CN[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8843389672 [0,2,0,0,0,0|0,0,0]=2 1105 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-5394077858 [0,2,0,0,0,0|0,0,0]=2 1106 B17R2.289 N#C/C(=C/C1=CNC2=CC=CC=C12)/C(=O)O MCULE-4152302191 [0,2,0,0,0,0|0,0,2]=4 1107 B17R2.289 N#CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4794067798 [0,2,0,0,0,0|0,0,2]=4 1108 B17R2.289 N#CC(CC1=CNC2=C1C=CC=C2)C(=O)N MCULE-8703390224 [0,2,0,0,0,0|1,0,0]=3 1109 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 MCULE-2703698596 [0,2,0,0,0,0|1,0,1]=4 1110 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 MCULE-6277286034 [0,2,0,0,0,0|1,0,1]=4 1111 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-9937852409 [0,2,0,0,0,0|0,0,0]=2 1112 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-1824211633 [0,2,0,0,0,0|0,0,0]=2 1113 B17R2.3450 CC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-4659596714 [0,2,0,0,0,0|0,0,0]=2 1114 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-6605711747 [0,2,0,0,0,0|0,0,0]=2 1115 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-2906491763 [0,2,0,0,0,0|0,0,0]=2 1116 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-1286010028 [0,2,0,0,0,0|0,0,0]=2 1117 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-8867932631 [0,2,0,0,0,0|0,0,0]=2 1118 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-1940415794 [0,2,0,0,0,0|0,0,0]=2 1119 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-7527258915 [0,2,0,0,0,0|0,0,0]=2 1120 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-4976314095 [0,2,0,0,0,0|0,0,0]=2 1121 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-7358605304 [0,2,0,0,0,0|0,0,0]=2 1122 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-6992128303 [0,2,0,0,0,0|0,0,0]=2 1123 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-7013255700 [0,2,0,0,0,0|0,0,0]=2 1124 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-5715446634 [0,2,0,0,0,0|0,0,0]=2 1125 B17R2.3450 N[C@@H](CC1=CNC2=CC(=CC=C12)O)C(=O)O MCULE-8633803305 [0,2,0,0,0,0|0,0,0]=2 1126 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-3985180412 [0,2,0,0,0,0|0,0,0]=2 1127 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-5384453816 [0,2,0,0,0,0|0,0,0]=2 1128 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-5639441116 [0,2,0,0,0,0|0,0,0]=2 1129 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-3546576587 [0,2,0,0,0,0|0,0,0]=2 1130 B17R2.3450 N[C@H](CC1=CNC2=CC(=CC=C12)Cl)C(=O)O MCULE-1070734277 [0,2,0,0,0,0|0,0,0]=2 1131 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)CC(N)C(=O)O MCULE-2857724640 [0,2,0,0,0,0|0,0,0]=2 1132 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2355294933 [0,2,0,0,0,0|0,0,0]=2 1133 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2985230411 [0,2,0,0,0,0|0,0,0]=2 1134 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-1639302413 [0,2,0,0,0,0|0,0,0]=2 1135 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-6032761384 [0,2,0,0,0,0|0,0,0]=2 1136 B17R2.5003 CC1=NC2=CC=CC=C2N1CC(C)C(=O)O MCULE-3236059456 [0,2,0,0,0,0|1,0,1]=4 1137 B17R2.5003 CC1=NC2=CC=CC=C2N1CC(C)C(=O)O MCULE-6009348437 [0,2,0,0,0,0|1,0,1]=4 1138 B17R2.5003 NC(CC1C(=O)NC2=C1C=CC=C2)C(=O)O MCULE-9798850281 [0,2,0,0,0,0|0,0,1]=3 1139 B17R2.5003 NC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-1995184018 [0,2,0,0,0,0|0,0,0]=2 1140 B17R2.5003 N[C@@H](CC1=C(NC2=CC=CC=C12)O)C(=O)O MCULE-1906654680 [0,2,0,0,0,0|0,0,0]=2 1141 B17R2.5003 N[C@H](CC1=C(NC2=C1C=CC=C2)O)C(=O)O MCULE-8342568055 [0,2,0,0,0,0|0,0,0]=2 1142 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [0,2,0,0,0,0|0,0,0]=2 1143 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [0,2,0,0,0,0|0,0,0]=2 1144 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [0,2,0,0,0,0|0,0,0]=2 1145 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [0,2,0,0,0,0|0,0,0]=2 1146 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [0,2,0,0,0,0|0,0,0]=2 1147 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [0,2,0,0,0,0|0,0,0]=2 1148 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [0,2,0,0,0,0|0,0,0]=2 1149 B17R2.25461 C[C@@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-2588526884 [0,2,0,0,0,0|2,0,0]=4 1150 B17R2.25461 C[C@@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-6406587561 [0,2,0,0,0,0|2,0,0]=4 1151 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [0,2,0,0,0,0|0,0,0]=2 1152 B17R2.25461 C[C@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-3348558853 [0,2,0,0,0,0|2,0,0]=4 1153 B17R2.25461 C[C@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-9986063370 [0,2,0,0,0,0|2,0,0]=4 1154 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [0,2,0,0,0,0|0,0,0]=2 1155 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [0,2,0,0,0,0|0,0,0]=2 1156 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [0,2,0,0,0,0|0,0,0]=2 1157 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [0,2,0,0,0,0|0,0,0]=2 1158 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [0,2,0,0,0,0|0,0,0]=2 1159 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [0,2,0,0,0,0|0,0,0]=2 1160 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [0,2,0,0,0,0|0,0,0]=2 1161 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [0,2,0,0,0,0|0,0,0]=2 1162 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [0,2,0,0,0,0|0,0,0]=2 1163 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [0,2,0,0,0,0|0,0,0]=2 1164 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [0,2,0,0,0,0|0,0,0]=2 1165 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [0,2,0,0,0,0|0,0,0]=2 1166 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [0,2,0,0,0,0|0,0,0]=2 1167 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [0,2,0,0,0,0|0,0,0]=2 1168 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [0,2,0,0,0,0|0,0,0]=2 1169 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [0,2,0,0,0,0|0,0,0]=2 1170 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [0,2,0,0,0,0|0,0,0]=2 1171 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [0,2,0,0,0,0|0,0,0]=2 1172 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [0,2,0,0,0,0|0,0,0]=2 1173 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [0,2,0,0,0,0|0,0,0]=2 1174 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [0,2,0,0,0,0|0,0,0]=2 1175 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [0,2,0,0,0,0|0,0,0]=2 1176 B17R2.25461 O=C(O)/C(=C/C1=CNC2=C1C=C(C=C2)F)/S MCULE-4310920540 [0,2,0,0,0,0|0,0,2]=4 1177 B17R2.25461 O=C(O)C(=CC1=CNC2=C1C=C(C=C2)F)S MCULE-2277570261 [0,2,0,0,0,0|0,0,2]=4 1178 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [0,2,0,0,0,0|0,0,0]=2 1179 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3164724457 [0,2,0,0,0,0|0,0,0]=2 1180 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3535314200 [0,2,0,0,0,0|0,0,0]=2 1181 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@@H](N)C(=O)O MCULE-2917178207 [0,2,0,0,0,0|0,0,0]=2 1182 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-2282796001 [0,2,0,0,0,0|0,0,0]=2 1183 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-7459867675 [0,2,0,0,0,0|0,0,0]=2 1184 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6596607370 [0,2,0,0,0,0|0,0,0]=2 1185 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-4785714748 [0,2,0,0,0,0|0,0,0]=2 1186 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-7551772366 [0,2,0,0,0,0|0,0,0]=2 1187 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-2444975774 [0,2,0,0,0,0|0,0,0]=2 1188 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-1850008985 [0,2,0,0,0,0|0,0,0]=2 1189 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-4657811205 [0,2,0,0,0,0|0,0,0]=2 1190 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2O)C(=O)O MCULE-3480630187 [0,2,0,0,0,0|0,0,0]=2 1191 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-2706903351 [0,2,0,0,0,0|0,0,0]=2 1192 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6965964776 [0,2,0,0,0,0|0,0,0]=2 1193 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-3378344305 [0,2,0,0,0,0|0,0,0]=2 1194 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3743607795 [0,2,0,0,0,0|0,0,0]=2 1195 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-9761111560 [0,2,0,0,0,0|0,0,0]=2 1196 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2F)C(=O)O MCULE-1137381744 [0,2,0,0,0,0|0,0,0]=2 1197 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-3304468746 [0,2,0,0,0,0|0,0,0]=2 1198 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6816615537 [0,2,0,0,0,0|0,0,0]=2 1199 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-1537250123 [0,2,0,0,0,0|0,0,0]=2 1200 B17R2.37147 N[C@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3664115172 [0,2,0,0,0,0|0,0,0]=2 1201 B17R2.37552 CC1=C2C(=CNC2=CC=C1)CC(N)C(=O)O MCULE-3450403426 [0,2,0,0,0,0|0,0,0]=2 1202 B17R2.37552 CC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-7669211774 [0,2,0,0,0,0|0,0,0]=2 1203 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9183830250 [0,2,0,0,0,0|0,0,0]=2 1204 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9713571719 [0,2,0,0,0,0|0,0,0]=2 1205 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7572211598 [0,2,0,0,0,0|0,0,0]=2 1206 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-8809191037 [0,2,0,0,0,0|0,0,0]=2 1207 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3710888909 [0,2,0,0,0,0|0,0,0]=2 1208 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5876038008 [0,2,0,0,0,0|0,0,0]=2 1209 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-8052472538 [0,2,0,0,0,0|0,0,0]=2 1210 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-8458955793 [0,2,0,0,0,0|0,0,0]=2 1211 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-6419206552 [0,2,0,0,0,0|0,0,0]=2 1212 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-8687655498 [0,2,0,0,0,0|0,0,0]=2 1213 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-5535555262 [0,2,0,0,0,0|0,0,0]=2 1214 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-7896753105 [0,2,0,0,0,0|0,0,0]=2 1215 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-2776991776 [0,2,0,0,0,0|0,0,0]=2 1216 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-4848944007 [0,2,0,0,0,0|0,0,0]=2 1217 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-3901457897 [0,2,0,0,0,0|0,0,0]=2 1218 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-7147285849 [0,2,0,0,0,0|0,0,0]=2 1219 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3435001533 [0,2,0,0,0,0|0,0,0]=2 1220 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-5473935751 [0,2,0,0,0,0|0,0,0]=2 1221 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-9400287128 [0,2,0,0,0,0|0,0,0]=2 1222 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-1602631164 [0,2,0,0,0,0|0,0,0]=2 1223 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5300561098 [0,2,0,0,0,0|0,0,0]=2 1224 B17R2.37552 N[C@H](CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-5221063985 [0,2,0,0,0,0|0,0,0]=2 1225 B17R2.45515 CC(C1=CNC2=C1C=CC=C2)C(O)C(=O)O MCULE-6640012615 [0,2,0,0,0,0|0,0,0]=2 1226 B17R2.78536 C(N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-1625887826 [0,2,0,0,0,0|0,0,0]=2 1227 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@@H](N)C(=O)O MCULE-1710860862 [0,2,0,0,0,0|0,0,0]=2 1228 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-4599117696 [0,2,0,0,0,0|0,0,0]=2 1229 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-6954327922 [0,2,0,0,0,0|0,0,0]=2 1230 B17R2.78536 [C@@H](N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-5120236173 [0,2,0,0,0,0|0,0,0]=2 1231 B17R2.6 CCCC(=O)NCC1=CNC2=CC=CC=C12 MCULE-8099106583 [0,2,0,0,0,0|2,0,0]=4 1232 B17R2.6 CCOC(=O)C=CC1=CNC2=C1C=CC=C2 MCULE-9775401782 [0,2,0,0,0,0|0,0,2]=4 1233 B17R2.6 CCOC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-4502243780 [0,2,0,0,0,0|0,0,0]=2 1234 B17R2.6 CCOC(=O)CCC1=CNC2=NC=CC=C12 MCULE-1784186487 [0,2,0,0,0,0|1,0,0]=3 1235 B17R2.6 CCOC(=O)CCN1C=CC2=C1C=CC=C2 MCULE-8043038277 [0,2,0,0,0,0|2,0,0]=4 1236 B17R2.6 CCOC(=O)NCC1=CNC2=CC=CC=C12 MCULE-3662758308 [0,2,0,0,0,0|1,0,0]=3 1237 B17R2.693 COC(=O)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6740249331 [0,2,0,0,0,0|0,0,0]=2 1238 B17R2.693 COC(=O)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-7937462863 [0,2,0,0,0,0|0,0,0]=2 1239 B17R2.693 COC(=O)C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-4268619569 [0,2,0,0,0,0|1,0,0]=3 1240 B17R2.693 COC(=O)C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-5368781140 [0,2,0,0,0,0|1,0,0]=3 1241 B17R2.693 COC(=O)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1271839301 [0,2,0,0,0,0|0,0,0]=2 1242 B17R2.693 COC(=O)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-4131734409 [0,2,0,0,0,0|0,0,0]=2 1243 B17R2.693 COC(=O)C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-6532861685 [0,2,0,0,0,0|1,0,0]=3 1244 B17R2.693 COC(=O)C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-8386775431 [0,2,0,0,0,0|1,0,0]=3 1245 B17R2.2442 COC(=O)CCC1=CNC2=C1C=CC=C2Br MCULE-1903673605 [0,2,0,0,0,0|0,0,0]=2 1246 B17R2.2442 COC(=O)CCC1=CNC2=C1C=CC=C2C MCULE-9689078793 [0,2,0,0,0,0|0,0,0]=2 1247 B17R2.2442 COC(=O)CCC1=CNC2=C1C=CC=C2F MCULE-5228162624 [0,2,0,0,0,0|0,0,0]=2 1248 B17R2.57589 COC(=O)CCC1=CNC2=C1C=CC(=C2)Br MCULE-3166218761 [0,2,0,0,0,0|0,0,0]=2 1249 B17R2.57589 COC(=O)CCC1=CNC2=C1C=CC(=C2)C MCULE-1008280957 [0,2,0,0,0,0|0,0,0]=2 1250 B17R2.57589 COC(=O)CCC1=CNC2=C1C=CC(=C2)Cl MCULE-7262880194 [0,2,0,0,0,0|0,0,0]=2 1251 B17R2.57589 COC(=O)CCC1=CNC2=C1C=CC(=C2)F MCULE-5893327248 [0,2,0,0,0,0|0,0,0]=2 1252 B17R2.57589 COC(=O)CCN1C=CC2=C1C=CC(=C2)N MCULE-8703173004 [0,2,0,0,0,0|2,0,0]=4 1253 B17R2.61029 CC1=C(C2=CC=CC=C2N1)SCC(=O)NN MCULE-1356216998 [0,2,0,0,0,0|2,0,0]=4 1254 B17R2.61029 COC(=O)CCN1C(=O)OC2=CC=CC=C12 MCULE-4797251313 [0,2,0,0,0,0|2,0,0]=4 1255 B17R2.61029 COC(=O)CCN1C(=O)SC2=CC=CC=C12 MCULE-6659819337 [0,2,0,0,0,0|2,0,0]=4 1256 B17R2.61029 COC(=O)N/N=C\1/C(=O)NC2=C1C=CC=C2 MCULE-9244343876 [0,2,0,0,0,0|2,0,0]=4 1257 B17R2.87547 COC(=O)CCC1=CN(C2=C1C=CC=C2)C MCULE-8101326870 [0,2,0,0,0,0|0,0,0]=2 1258 B17R2.376007 COC(=O)C=CC1=CNC2=C1C=C(C=C2)Br MCULE-2294234437 [0,2,0,0,0,0|0,0,2]=4 1259 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-1962792611 [0,2,0,0,0,0|0,0,0]=2 1260 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-8328181453 [0,2,0,0,0,0|0,0,0]=2 1261 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)F MCULE-6542444313 [0,2,0,0,0,0|0,0,0]=2 1262 B17R2.376007 COC(=O)CCC1=CNC2=C1C=C(C=C2)I MCULE-2361592011 [0,2,0,0,0,0|0,0,0]=2 1263 B17R2.376041 COC(=O)CCC1=CNC2=C1C(=CC=C2)Br MCULE-2973034884 [0,2,0,0,0,0|0,0,0]=2 1264 B17R2.376041 COC(=O)CCC1=CNC2=C1C(=CC=C2)C MCULE-9011186884 [0,2,0,0,0,0|0,0,0]=2 1265 B17R2.376041 COC(=O)CCC1=CNC2=C1C(=CC=C2)Cl MCULE-4277614267 [0,2,0,0,0,0|0,0,0]=2 1266 B17R2.376041 COC(=O)CCC1=CNC2=C1C(=CC=C2)F MCULE-9162803561 [0,2,0,0,0,0|0,0,0]=2 1267 B17R2.376041 COC(=O)CCN1C=CC2=C1C(=CC=C2)N MCULE-8050280167 [0,2,0,0,0,0|2,0,0]=4 1268 B17R2.853 CC(=O)CC(C)(C)C1=CNC2=C1C=CC=C2 MCULE-5145991109 [0,2,0,0,0,0|1,0,0]=3 1269 B17R2.3449 NC(=O)CC(=O)C1=CNC2=C1C=CC(=C2)Br MCULE-9825497441 [0,2,0,0,0,0|1,0,1]=4 1270 B17R2.5002 C=C(C)C[C@@H](N)C1=C(NC2=C1C=CC=C2)C MCULE-3375482528 [0,2,0,0,0,0|2,0,0]=4 1271 B17R2.5002 C=C(C)C[C@@H](N)C1=C(NC2=C1C=CC=C2)C MCULE-5708994700 [0,2,0,0,0,0|2,0,0]=4 1272 B17R2.5002 C=C(C)C[C@H](N)C1=C(NC2=C1C=CC=C2)C MCULE-4744231382 [0,2,0,0,0,0|2,0,0]=4 1273 B17R2.5002 C=C(C)C[C@H](N)C1=C(NC2=C1C=CC=C2)C MCULE-6445225495 [0,2,0,0,0,0|2,0,0]=4 1274 B17R2.5002 CC(=O)CC(=C1C(=O)NC2=C1C=CC=C2)C MCULE-5908365686 [0,2,0,0,0,0|1,0,1]=4 1275 B17R2.25460 C=C(C)C[C@@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-3261320871 [0,2,0,0,0,0|2,0,0]=4 1276 B17R2.25460 C=C(C)C[C@@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-5225706889 [0,2,0,0,0,0|2,0,0]=4 1277 B17R2.25460 C=C(C)C[C@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-3966043224 [0,2,0,0,0,0|2,0,0]=4 1278 B17R2.25460 C=C(C)C[C@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-8468088945 [0,2,0,0,0,0|2,0,0]=4 1279 B17R2.25460 NC(=O)CC(=O)C1=CNC2=C1C=C(C=C2)Br MCULE-9873969141 [0,2,0,0,0,0|1,0,1]=4 1280 B17R2.37146 NC(=O)CC(=O)C1=CNC2=C1C=CC=C2Br MCULE-9905720344 [0,2,0,0,0,0|1,0,1]=4 1281 B17R2.37551 NC(=O)CC(=O)C1=CNC2=C1C(=CC=C2)Br MCULE-6780143284 [0,2,0,0,0,0|1,0,1]=4 1282 B17R2.78535 C=C(C)C[C@@H](N)C1=CN(C2=C1C=CC=C2)C MCULE-7748755350 [0,2,0,0,0,0|2,0,0]=4 1283 B17R2.78535 C=C(C)C[C@@H](N)C1=CN(C2=C1C=CC=C2)C MCULE-8567705988 [0,2,0,0,0,0|2,0,0]=4 1284 B17R2.78535 C=C(C)C[C@H](N)C1=CN(C2=C1C=CC=C2)C MCULE-2416161447 [0,2,0,0,0,0|2,0,0]=4 1285 B17R2.78535 C=C(C)C[C@H](N)C1=CN(C2=C1C=CC=C2)C MCULE-9166313882 [0,2,0,0,0,0|2,0,0]=4 1286 B17R2.2764 COC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-9973201296 [0,2,0,0,0,0|0,0,0]=2 1287 B17R2.2764 COC1=CC2=C(C=C1)N(C=C2)CCC(=O)O MCULE-1060838473 [0,2,0,0,0,0|2,0,0]=4 1288 B17R2.2764 COC1=CC=C2C(=CNC2=C1)C=CC(=O)O MCULE-7458563451 [0,2,0,0,0,0|0,0,2]=4 1289 B17R2.20780 NC1=CC=C2C(=C1)NC(=O)N2CCC(=O)O MCULE-2128441807 [0,2,0,0,0,0|1,0,0]=3 1290 B17R2.20780 O=C(O)CCN1C(=O)OC2=C1C=CC(=C2)Br MCULE-1345140406 [0,2,0,0,0,0|2,0,0]=4 1291 B17R2.20780 O=C(O)CCN1C(=O)OC2=C1C=CC(=C2)Cl MCULE-1243515979 [0,2,0,0,0,0|2,0,0]=4 1292 B17R2.20780 O=C(O)CCN1C(=O)SC2=C1C=CC(=C2)Br MCULE-4024788467 [0,2,0,0,0,0|2,0,0]=4 1293 B17R2.39006 CC1=C(C=C2C(=C1)N=CN2CCC(=O)O)C MCULE-3453549828 [0,2,0,0,0,0|1,0,1]=4 1294 B17R2.39006 CC1=C(C=C2C(=C1)N=CN2CCC(=O)O)C MCULE-8580451885 [0,2,0,0,0,0|1,0,1]=4 1295 B17R2.39006 CC1=CC2=C(C=C1Br)C(=CN2)CCC(=O)O MCULE-4153664078 [0,2,0,0,0,0|0,0,0]=2 1296 B17R2.39006 O=C(O)CCC1=CNC2=C1C=C(C(=C2)F)I MCULE-8699537217 [0,2,0,0,0,0|0,0,0]=2 1297 B17R2.39006 O=C(O)CCN1C=NC2=C1C=C(C(=C2)F)F MCULE-9470106437 [0,2,0,0,0,0|1,0,1]=4 1298 B17R2.196791 O=C(O)CCC1=CNC2=C1C(=CC(=C2)F)Br MCULE-7613781237 [0,2,0,0,0,0|0,0,0]=2 1299 B17R2.1273 CCC1=NC2=CC=CC=C2N1CCC(=O)O MCULE-5144808569 [0,2,0,0,0,0|1,0,1]=4 1300 B17R2.1273 CCC1=[NH+]C2=CC=CC=C2N1CCC(=O)O MCULE-2047681475 [0,2,0,0,0,0|1,0,1]=4 1301 B17R2.1273 O=C(O)CCN1C2=CC=CC=C2N=C1CO MCULE-2042820132 [0,2,0,0,0,0|1,0,1]=4 1302 B17R2.1273 O=C(O)CCN1C2=CC=CC=C2N=C1CO MCULE-5793681685 [0,2,0,0,0,0|1,0,1]=4 1303 B17R2.1273 O=CC1=C(C2=CC=CC=C2O1)SCC(=O)O MCULE-5266272023 [0,2,0,0,0,0|2,0,0]=4 1304 B17R2.1273 O=CC1=CC2=C(N1CCC(=O)O)C=CC=C2 MCULE-9419648501 [0,2,0,0,0,0|2,0,0]=4 1305 B17R2.150937 CC1=C(C2=CC(=CC=C2N1)Cl)CCC(=O)O MCULE-3334002871 [0,2,0,0,0,0|0,0,0]=2 1306 B17R2.150937 CC1=CC2=C(C=C1)NC(=C2CCC(=O)N)C MCULE-2971610625 [0,2,0,0,0,0|1,0,0]=3 1307 B17R2.150937 CC1=CC=C2NC(=C(C2=C1)CCC(=O)O)C MCULE-9716733030 [0,2,0,0,0,0|0,0,0]=2 1308 B17R2.150937 CC1=CC=C2OC(=O)N(C2=C1)CCC(=O)O MCULE-9981812039 [0,2,0,0,0,0|2,0,0]=4 1309 B17R2.150937 CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)O MCULE-6803429016 [0,2,0,0,0,0|2,0,0]=4 1310 B17R2.150937 CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)O MCULE-9282332815 [0,2,0,0,0,0|2,0,0]=4 1311 B17R2.150937 O=C(O)CCN1C(=O)OC2=C1C=C(C=C2)Cl MCULE-5307614699 [0,2,0,0,0,0|2,0,0]=4 1312 B17R2.464799 CC1=C(N(C2=CC=CC=C12)CCC(=O)O)C MCULE-2084713149 [0,2,0,0,0,0|2,0,0]=4 1313 B17R2.464799 CN1C(=O)C(C2=C1C=CC=C2)CCC(=O)O MCULE-4411919127 [0,2,0,0,0,0|0,0,1]=3 1314 B17R2.464799 CN1C(=O)N(C2=CC=CC=C12)CCC(=O)O MCULE-3760041098 [0,2,0,0,0,0|1,0,0]=3 1315 B17R2.464799 CN1C(=S)N(C2=C1C=CC=C2)CCC(=O)O MCULE-5305120551 [0,2,0,0,0,0|1,0,0]=3 1316 B17R2.464799 O=C(O)CCN1C(=O)C(=O)C2=C1C=CC=C2 MCULE-8306792283 [0,2,0,0,0,0|2,0,0]=4 1317 B17R2.25454 CC1=C(C2=C(C=C1)NC=C2CCC(=O)O)Br MCULE-1270561973 [0,2,0,0,0,0|0,0,0]=2 1318 B17R2.25454 O=C(O)CCC1=CNC2=C1C(=C(C=C2)Cl)Cl MCULE-6805502081 [0,2,0,0,0,0|0,0,0]=2 1319 B17R2.25454 O=C(O)CCC1=CNC2=C1C(=C(C=C2)I)F MCULE-9386818531 [0,2,0,0,0,0|0,0,0]=2 1320 B17R2.73242 COC1=CC2=C(C=C1)NC=C2/C=C/C(=O)O MCULE-2306678599 [0,2,0,0,0,0|0,0,2]=4 1321 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [0,2,0,0,0,0|1,0,0]=3 1322 B17R2.73242 COC1=CC=C2NC=C(C2=C1)C=CC(=O)O MCULE-1667582656 [0,2,0,0,0,0|0,0,2]=4 1323 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [0,2,0,0,0,0|0,0,0]=2 1324 B17R2.266377 CN1N=C(C2=CC(=CC=C12)Br)OCC(=O)O MCULE-1690736509 [0,2,0,0,0,0|2,0,0]=4 1325 B17R2.468168 O=C(O)CCC1=CNC2=C1C=C(C=C2F)Br MCULE-6551498960 [0,2,0,0,0,0|0,0,0]=2 1326 B17R2.39625 CC1=CC=C(C2=C1NC=C2CCC(=O)O)Br MCULE-8788918830 [0,2,0,0,0,0|0,0,0]=2 1327 B17R2.39625 CC1=CC=C(C2=C1NC=C2CCC(=O)O)F MCULE-5667126330 [0,2,0,0,0,0|0,0,0]=2 1328 B17R2.39625 O=C(O)CCC1=CNC2=C1C(=CC=C2Cl)Cl MCULE-3411179973 [0,2,0,0,0,0|0,0,0]=2 1329 B17R2.39625 O=C(O)CCC1=CNC2=C1C(=CC=C2F)Br MCULE-3211194661 [0,2,0,0,0,0|0,0,0]=2 1330 B17R2.63264 COC1=C2C=CN(C2=CC=C1)CCC(=O)O MCULE-3507515472 [0,2,0,0,0,0|2,0,0]=4 1331 B17R2.63264 N#CC1=CC=CC2=C1NC=C2CCC(=O)O MCULE-1923398788 [0,2,0,0,0,0|0,0,0]=2 1332 B17R2.63388 COC1=CC=CC2=C1C(=CN2)CCC(=O)O MCULE-7350705022 [0,2,0,0,0,0|0,0,0]=2 1333 B17R2.63388 COC1=CC=CC2=C1N(C=C2)CCC(=O)O MCULE-9581170521 [0,2,0,0,0,0|2,0,0]=4 1334 B17R2.140478 CCN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-3133599172 [0,2,0,0,0,0|1,0,0]=3 1335 B17R2.140478 CCN1C=C(C2=CC=CC=C12)CCC(=O)O MCULE-3112020801 [0,2,0,0,0,0|0,0,0]=2 1336 B17R2.140478 COC1=CN(C2=C1C=CC=C2)CCC(=O)O MCULE-4814480588 [0,2,0,0,0,0|2,0,0]=4 1337 B17R2.140478 O=CC1=CN(C2=C1C=CC=C2)CCC(=O)O MCULE-8682293546 [0,2,0,0,0,0|2,0,0]=4 1338 B15R2.629 CN1C(=CC2=C1C=CC=C2)CC(=O)O MCULE-2316475046 [0,0,1,1,0,0|0,0,2]=4 1339 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)N=C1 MCULE-1372203161 [0,0,1,1,0,0|0,0,2]=4 1340 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 MCULE-7141202973 [0,0,1,1,0,0|1,0,1]=4 1341 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2N=C1 MCULE-4044511177 [0,0,1,1,0,0|0,0,2]=4 1342 B15R2.1668 O=C(O)CC1CNC2=C(S1)C=CC=C2 MCULE-1285348384 [0,0,1,1,0,0|1,0,1]=4 1343 B15R2.14951 O=C1CC(CC2=CC=CC=C12)C(=O)O MCULE-9167871622 [0,0,1,1,0,0|2,0,0]=4 1344 B15R2.14951 O=C1CC(NC2=C1C=CC=C2)C(=O)O MCULE-4668772511 [0,0,1,1,0,0|1,0,0]=3 1345 B15R2.14951 O=C1CC(OC2=CC=CC=C12)C(=O)O MCULE-4926347738 [0,0,1,1,0,0|2,0,0]=4 1346 B15R2.14951 O=C1CC(SC2=CC=CC=C12)C(=O)O MCULE-1467187532 [0,0,1,1,0,0|2,0,0]=4 1347 B15R2.14951 O=C1C[C@H](CC2=C1C=CC=C2)C(=O)O MCULE-4882614324 [0,0,1,1,0,0|2,0,0]=4 1348 B15R2.31 O=C1C=C(CCC1)NC2=CC=CC=C2 MCULE-6160051957 [0,0,1,1,0,0|1,0,1]=4 1349 B15R2.63 O=C(O)C1=CC=CN1C2=CC=CC=C2 MCULE-1964375825 [0,0,1,1,0,0|0,0,2]=4 1350 B15R2.63 O=C(O)C1=NC=CN1C2=CC=CC=C2 MCULE-7044841599 [0,0,1,1,0,0|1,0,1]=4 1351 B15R2.63 O=C(O)C1CCCN1C2=CC=CC=C2 MCULE-2494124976 [0,0,1,1,0,0|0,0,2]=4 1352 B15R2.68122 O=C(O)CC1=CC=CC2=CC=CC=C12 MCULE-1244884723 [0,0,1,1,0,0|1,0,1]=4 1353 B15R2.68122 O=C(O)CC1=CC=NC2=C1C=CC=C2 MCULE-3326591019 [0,0,1,1,0,0|0,0,2]=4 1354 B15R2.59 O=C(O)C1=CC(=CN1)C2=CC=CC=C2 MCULE-3594874218 [0,0,1,1,0,0|0,0,2]=4 1355 B15R2.59 O=C(O)C1CC(=NO1)C2=CC=CC=C2 MCULE-8141165068 [0,0,1,1,0,0|2,0,0]=4 1356 B15R2.59 O=C(O)C1CC(CN1)C2=CC=CC=C2 MCULE-3453710897 [0,0,1,1,0,0|0,0,2]=4 1357 B15R2.59 O=C(O)C1CC(CN1)C2=CC=CC=C2 MCULE-5422160743 [0,0,1,1,0,0|0,0,2]=4 1358 B15R2.59 O=C(O)[C@@H]1C[C@@H](CN1)C2=CC=CC=C2 MCULE-2647912046 [0,0,1,1,0,0|0,0,2]=4 1359 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-5551904396 [0,0,1,1,0,0|0,0,2]=4 1360 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-5884523157 [0,0,1,1,0,0|0,0,2]=4 1361 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-6862402655 [0,0,1,1,0,0|0,0,2]=4 1362 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-9874544463 [0,0,1,1,0,0|0,0,2]=4 1363 B15R2.59 O=C(O)[C@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-9584247807 [0,0,1,1,0,0|0,0,2]=4 1364 B15R2.59 [C@H]1(C[C@@H](CN1)C2=CC=CC=C2)C(=O)O MCULE-3974212859 [0,0,1,1,0,0|0,0,2]=4 1365 B15R2.389 O=C1CCC(C(=O)O1)C2=CC=CC=C2 MCULE-5583169031 [0,0,1,1,0,0|1,0,1]=4 1366 B15R2.1660 O=C(O)CCC1=CC2=C(N1)C=CC=C2 MCULE-1047547589 [0,0,1,1,0,0|2,0,0]=4 1367 B15R2.1660 O=C(O)CCC1=CC2=C(O1)C=CC=C2 MCULE-6515499959 [0,0,1,1,0,0|2,0,0]=4 1368 B15R2.1660 O=C(O)CCC1=CC2=C(S1)C=CC=C2 MCULE-4939959815 [0,0,1,1,0,0|2,0,0]=4 1369 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 MCULE-1307261711 [0,0,1,1,0,0|1,0,0]=3 1370 B15R2.1660 O=C(O)CCC1=CN2C=CC=NC2=N1 MCULE-2588920816 [0,0,1,1,0,0|2,0,0]=4 1371 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)NC=C2 MCULE-9216475830 [0,0,1,1,0,0|2,0,0]=4 1372 B15R2.7688 O=C(O)CCC1=CN=C2NC=CC2=C1 MCULE-6427021182 [0,0,1,1,0,0|1,0,1]=4 1373 B15R2.19753 O=C(O)C=CC1=CC=CC2=C1NC=C2 MCULE-9070982566 [0,0,1,1,0,0|0,0,2]=4 1374 B15R2.19753 O=C(O)CCC1=CC=CC2=C1C=CN2 MCULE-5461746706 [0,0,1,1,0,0|2,0,0]=4 1375 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=NCC3 MCULE-6354656291 [1,0,0,1,0,0|2,0,0]=4 1376 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CCCC3 MCULE-3200900424 [1,0,0,1,0,0|1,0,1]=4 1377 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CNCC3 MCULE-4828650242 [1,0,0,1,0,0|2,0,0]=4 1378 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CNCC3 MCULE-6905321940 [1,0,0,1,0,0|2,0,0]=4 1379 B15R3.1736 C1=CC2=C(C=C1)C(=CN2)C3CNC3 MCULE-7321182053 [1,0,0,1,0,0|2,0,0]=4 1380 B15R3.1736 C1=CC2=C(C=C1)C(=CN2)C3CNC3 MCULE-7379467677 [1,0,0,1,0,0|2,0,0]=4 1381 B15R3.1736 C1=CC=C2C(=C1)NC=C2[C@@H]3CCN3 MCULE-3618592433 [1,0,0,1,0,0|1,0,1]=4 1382 B15R3.1736 C1=CC=C2C(=C1)NC=C2[C@@H]3CCN3 MCULE-4132878112 [1,0,0,1,0,0|1,0,1]=4 1383 B15R3.1736 C1=CC=C2C(=C1)NC=C2[C@H]3CCN3 MCULE-3125843188 [1,0,0,1,0,0|1,0,1]=4 1384 B15R3.1736 C1=CC=C2C(=C1)NC=C2[C@H]3CCN3 MCULE-5348642925 [1,0,0,1,0,0|1,0,1]=4 1385 B15R3.2249 O=C1CCC2=C1NC3=C2C=CC=C3 MCULE-4237567663 [1,0,0,1,0,0|0,0,0]=2 1386 B15R3.2249 O=C1CCN2C1=CC3=C2C=CC=C3 MCULE-8799469947 [1,0,0,1,0,0|2,0,0]=4 1387 B15R3.10159 O=C1CCC2CNC3=C2C1=CC=C3 MCULE-5707820593 [1,0,0,1,0,0|0,0,2]=4 1388 B15R3.10159 O=C1CCC2CNC3=C2C1=CC=C3 MCULE-8098448373 [1,0,0,1,0,0|0,0,2]=4 1389 B15R3.2009 O=C1CC2=C(C1)C3=C(N2)C=CC=C3 MCULE-4808786300 [0,0,0,1,1,0|1,0,0]=3 1390 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 MCULE-8314344011 [0,0,0,1,0,1|1,0,0]=3 1391 B17R3.26 O=C1NC[C@@H](N1)C2=CNC3=CC=CC=C23 MCULE-3640424239 [0,0,0,1,0,1|1,0,0]=3 1392 B17R3.26 O=C1NC[C@@H](N1)C2=CSC3=C2C=CC=C3 MCULE-4955084412 [0,0,0,1,0,1|2,0,0]=4 1393 B17R3.26 O=C1NC[C@H](N1)C2=CNC3=CC=CC=C23 MCULE-8662242760 [0,0,0,1,0,1|1,0,0]=3 1394 B17R3.26 O=C1NC[C@H](N1)C2=CSC3=C2C=CC=C3 MCULE-9689252060 [0,0,0,1,0,1|2,0,0]=4 1395 B17R3.26 O=C1N[C@@H](CO1)C2=CNC3=CC=CC=C23 MCULE-7032320007 [0,0,0,1,0,1|1,0,0]=3 1396 B17R3.26 O=C1N[C@@H](CO1)C2=CSC3=C2C=CC=C3 MCULE-9348062516 [0,0,0,1,0,1|2,0,0]=4 1397 B17R3.26 O=C1N[C@H](CO1)C2=CNC3=CC=CC=C23 MCULE-9161144270 [0,0,0,1,0,1|1,0,0]=3 1398 B17R3.26 O=C1N[C@H](CO1)C2=CSC3=C2C=CC=C3 MCULE-2716943600 [0,0,0,1,0,1|2,0,0]=4 1399 B17R3.66024 O=C(O)C1=C2NC3=CC=CC=C3C2=CN1 MCULE-7872695752 [0,0,0,1,0,1|0,0,2]=4 1400 B17R3.31 O=C1CCC2=C3C=CC=CC3=CC=C2O1 MCULE-5592602035 [0,0,0,1,0,1|1,0,0]=3 1401 B17R3.3314 O=C1CC(C1)C2=C3C=CC=CC3=CC=C2 MCULE-8112130767 [0,0,0,1,0,1|2,0,0]=4 1402 B17R3.5115 O=C1CCC2=CC=CC3=C2C(=CC=C3)N1 MCULE-9013619245 [0,0,0,1,0,1|2,0,0]=4 1403 B17R3.477137 O=C(O)C1CC2=C3C1=CC=CC3=CC=C2 MCULE-8635888330 [0,0,0,1,0,1|1,0,0]=3 1404 B17R3.65033 O=C(O)C1=CC2=C(N1)NC3=CC=CC=C23 MCULE-2332208189 [0,1,0,1,0,0|0,0,2]=4 1405 B17R3.65033 O=C(O)C1CC2=C(C1)C3=C(N2)C=CC=C3 MCULE-4512034780 [0,1,0,1,0,0|0,0,0]=2 1406 B17R3.1577 O/N=C\1/CCC2=C(C1)NC3=C2C=CC=C3 MCULE-7541399736 [0,1,0,1,0,0|1,0,0]=3 1407 B17R3.1577 ON=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-2112787079 [0,1,0,1,0,0|1,0,0]=3 1408 B17R3.31811 CN1CCC2=C(C1=O)NC3=CC=CC=C23 MCULE-9691326573 [0,1,0,1,0,0|2,0,0]=4 1409 B17R3.34323 CC1=CC(=O)OC2=C1C3=C(N2)C=CC=C3 MCULE-5895392849 [0,1,0,1,0,0|0,0,2]=4 1410 B17R3.52847 O=C(O)C1CC12C(=O)NC3=C2C=CC=C3 MCULE-3308493505 [0,1,0,1,0,0|0,0,1]=3 1411 B17R3.52847 O=C(O)[C@@H]1C[C@]12C(=O)NC3=CC=CC=C23 MCULE-1625357029 [0,1,0,1,0,0|0,0,1]=3 1412 B17R3.52847 [C@@H]1(C[C@@]12C(=O)NC3=C2C=CC=C3)C(=O)O MCULE-4713801321 [0,1,0,1,0,0|0,0,1]=3 1413 B17R3.52847 [C@H]1(C[C@@]12C(=O)NC3=C2C=CC=C3)C(=O)O MCULE-6277224983 [0,1,0,1,0,0|0,0,1]=3 1414 B17R3.421652 O=C1CSC2(O1)C(=O)NC3=C2C=CC=C3 MCULE-7643359470 [0,1,0,1,0,0|1,0,1]=4 1415 B17R3.19747 O=C1CCC2=C(C1)NC3=C2C=C(C=C3)F MCULE-7410192469 [0,1,0,1,0,0|1,0,0]=3 1416 B17R3.31819 CN1C2=CC(=O)CCN2C3=C1C=CC=C3 MCULE-4212288515 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.90 C=CC1=CC=CC=C1OCC(=O)O MCULE-2322182634 [0,0,1,0,1,0|2,0,0]=4 1418 B13R1.90 CCC1=C(C=CC=C1)CCC(=O)O MCULE-5649569072 [0,0,1,0,1,0|1,0,1]=4 1419 B13R1.90 COC1=CC=CC=C1CCC(=O)O MCULE-1258270395 [0,0,1,0,1,0|1,0,1]=4 1420 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O MCULE-9936278616 [0,0,1,0,1,0|2,0,0]=4 1421 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O MCULE-5925184388 [0,0,1,0,1,0|2,0,0]=4 1422 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O MCULE-9449119489 [0,0,1,0,1,0|2,0,0]=4 1423 B13R1.90 O=C(O)CCC1=CC=CC=C1CO MCULE-3184331379 [0,0,1,0,1,0|2,0,0]=4 1424 B13R1.201 O=C(O)CC(=O)C1=CC=CC=C1Cl MCULE-2599664916 [0,0,1,0,1,0|2,0,0]=4 1425 B13R1.337 CC(=O)OC/C=C/C1=CC=CC=C1 MCULE-1691345298 [0,0,1,0,1,0|2,0,0]=4 1426 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 MCULE-7979134462 [0,0,1,0,1,0|2,0,0]=4 1427 B13R1.337 O=C(O)/C=C/C=C/C1=CC=CC=C1 MCULE-7226363257 [0,0,1,0,1,0|0,0,2]=4 1428 B13R1.337 O=C(O)C=CC=CC1=CC=CC=C1 MCULE-5804453111 [0,0,1,0,1,0|0,0,2]=4 1429 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 MCULE-6627837769 [0,0,1,0,1,0|0,0,0]=2 1430 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 MCULE-5972199258 [0,0,1,0,1,0|0,0,2]=4 1431 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 MCULE-6034181156 [0,0,1,0,1,0|1,0,1]=4 1432 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 MCULE-1194220261 [0,0,1,0,1,0|1,0,1]=4 1433 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-5490248981 [0,0,1,0,1,0|1,0,1]=4 1434 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-6898264010 [0,0,1,0,1,0|1,0,1]=4 1435 B13R1.337 O=C(O)CCNSC1=CC=CC=C1 MCULE-5956865457 [0,0,1,0,1,0|2,0,0]=4 1436 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MCULE-6896886697 [0,0,1,0,1,0|1,0,1]=4 1437 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MCULE-5162976213 [0,0,1,0,1,0|1,0,1]=4 1438 B13R1.337 O=C(O)CON=CC1=CC=CC=C1 MCULE-8613084644 [0,0,1,0,1,0|2,0,0]=4 1439 B13R1.337 O=C(O)CSC=CC1=CC=CC=C1 MCULE-5673313207 [0,0,1,0,1,0|1,0,0]=3 1440 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 MCULE-2960833071 [0,0,1,0,1,0|1,0,1]=4 1441 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 MCULE-5816217249 [0,0,1,0,1,0|0,0,2]=4 1442 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 MCULE-9862731096 [0,0,1,0,1,0|0,0,2]=4 1443 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-1505990193 [0,0,1,0,1,0|0,0,2]=4 1444 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-6190546623 [0,0,1,0,1,0|0,0,2]=4 1445 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-8069604431 [0,0,1,0,1,0|0,0,2]=4 1446 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-9461364099 [0,0,1,0,1,0|0,0,2]=4 1447 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-3726907829 [0,0,1,0,1,0|0,0,2]=4 1448 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-4517880361 [0,0,1,0,1,0|0,0,2]=4 1449 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-7915129742 [0,0,1,0,1,0|0,0,2]=4 1450 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-9847907661 [0,0,1,0,1,0|0,0,2]=4 1451 B13R1.713 O=CN(CC(=O)O)C1=CC=CC=C1 MCULE-1669781512 [0,0,1,0,1,0|2,0,0]=4 1452 B13R2.72 CC(=O)C1=CNC2=C1C=CC=N2 MCULE-1978852744 [0,0,0,0,2,0|2,0,0]=4 1453 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 MCULE-8889468572 [0,0,0,0,2,0|2,0,0]=4 1454 B13R2.72 CC(=O)C1=CNC2=C1C=NC=C2 MCULE-6744695889 [0,0,0,0,2,0|2,0,0]=4 1455 B13R2.72 CC(=O)C1=CNC2=CC=CC=C12 MCULE-5994992193 [0,0,0,0,2,0|1,0,0]=3 1456 B13R2.72 CC(=O)C1=CNC2=CC=CN=C12 MCULE-2966030255 [0,0,0,0,2,0|2,0,0]=4 1457 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 MCULE-1611465572 [0,0,0,0,2,0|2,0,0]=4 1458 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 MCULE-5544904867 [0,0,0,0,2,0|2,0,0]=4 1459 B13R2.72 CC(=O)C1=NNC2=CC=CC=C12 MCULE-1293948569 [0,0,0,0,2,0|2,0,0]=4 1460 B13R2.72 CS(=O)C1=CNC2=C1C=CC=C2 MCULE-5973421190 [0,0,0,0,2,0|2,0,0]=4 1461 B13R2.72 N=C(N)C1=CNC2=C1C=CC=C2 MCULE-2721616347 [0,0,0,0,2,0|2,0,0]=4 1462 B13R2.72 N=C(N)C1=CNC2=C1C=CC=C2 MCULE-9122292521 [0,0,0,0,2,0|2,0,0]=4 1463 B13R2.72 NC(=O)C1=CCC2=C1C=CC=C2 MCULE-2864979942 [0,0,0,0,2,0|2,0,0]=4 1464 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 MCULE-6602357386 [0,0,0,0,2,0|1,0,0]=3 1465 B13R2.72 NC(=O)C1=CNC2=C1C=CC=N2 MCULE-9842049454 [0,0,0,0,2,0|2,0,0]=4 1466 B13R2.72 NC(=O)C1=CNC2=CC=CN=C12 MCULE-4752876596 [0,0,0,0,2,0|2,0,0]=4 1467 B13R2.72 NC(=O)C1=COC2=CC=CC=C12 MCULE-6858305922 [0,0,0,0,2,0|2,0,0]=4 1468 B13R2.72 NC(=O)C1=CSC2=C1C=CC=C2 MCULE-5559138515 [0,0,0,0,2,0|2,0,0]=4 1469 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 MCULE-2541350999 [0,0,0,0,2,0|2,0,0]=4 1470 B13R2.72 NC(=S)C1=CNC2=C1C=CC=C2 MCULE-4605135158 [0,0,0,0,2,0|1,1,0]=4 1471 B13R2.72 O=C(Cl)C1=CNC2=CC=CC=C12 MCULE-7811906781 [0,0,0,0,2,0|1,0,0]=3 1472 B13R2.72 O=C(Cl)C1=CNC2=NC=CC=C12 MCULE-4694195070 [0,0,0,0,2,0|2,0,0]=4 1473 B13R2.72 O=C(Cl)C1=COC2=C1C=CC=C2 MCULE-5372606604 [0,0,0,0,2,0|2,0,0]=4 1474 B13R2.72 O=C(Cl)C1=CSC2=C1C=CC=C2 MCULE-4332616181 [0,0,0,0,2,0|2,0,0]=4 1475 B13R2.72 O=C(Cl)C1=NNC2=C1C=CC=C2 MCULE-8998776382 [0,0,0,0,2,0|2,0,0]=4 1476 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 MCULE-8997316936 [0,0,0,0,2,0|2,0,0]=4 1477 B13R2.72 O=C(O)C1=C2C=CC=CC2=CO1 MCULE-1577537596 [0,0,0,0,2,0|2,0,0]=4 1478 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 MCULE-8566101056 [0,0,0,0,2,0|1,0,1]=4 1479 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 MCULE-1694921526 [0,0,0,0,2,0|1,0,1]=4 1480 B13R2.72 O=C(O)C1=C2C=CC=CN2C=C1 MCULE-7906881254 [0,0,0,0,2,0|2,0,0]=4 1481 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 MCULE-4993718209 [0,0,0,0,2,0|1,0,1]=4 1482 B13R2.72 O=C(O)C1=C2C=CNC=C2N=C1 MCULE-9903506728 [0,0,0,0,2,0|1,0,1]=4 1483 B13R2.72 O=C(O)C1=C2NC=CC=C2N=C1 MCULE-1861724289 [0,0,0,0,2,0|1,0,1]=4 1484 B13R2.72 O=C(O)C1=CCC2=CC=CC=C12 MCULE-6113093142 [0,0,0,0,2,0|1,0,0]=3 1485 B13R2.72 O=C(O)C1=CN=C2C1=CNC=C2 MCULE-1676152489 [0,0,0,0,2,0|1,0,1]=4 1486 B13R2.72 O=C(O)C1=CN=C2N1C=CC=C2 MCULE-7597921465 [0,0,0,0,2,0|1,0,1]=4 1487 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 MCULE-4452059641 [0,0,0,0,2,0|1,0,0]=3 1488 B13R2.72 O=C(O)C1=CNC2=C1C=CN=C2 MCULE-7439182142 [0,0,0,0,2,0|1,0,0]=3 1489 B13R2.72 O=C(O)C1=CNC2=C1C=NC=N2 MCULE-7309686969 [0,0,0,0,2,0|2,0,0]=4 1490 B13R2.72 O=C(O)C1=CNC2=C1N=CC=C2 MCULE-6652782915 [0,0,0,0,2,0|1,0,0]=3 1491 B13R2.72 O=C(O)C1=CNC2=C1N=CC=C2 MCULE-8061566019 [0,0,0,0,2,0|1,0,0]=3 1492 B13R2.72 O=C(O)C1=CNC2=CC=CC=C12 MCULE-9692083886 [0,0,0,0,2,0|0,0,0]=2 1493 B13R2.72 O=C(O)C1=CNC2=CC=NC=C12 MCULE-9214281458 [0,0,0,0,2,0|1,0,0]=3 1494 B13R2.72 O=C(O)C1=CNC2=NC=CN=C12 MCULE-3183987728 [0,0,0,0,2,0|2,0,0]=4 1495 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 MCULE-2542401716 [0,0,0,0,2,0|1,0,0]=3 1496 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 MCULE-7496972581 [0,0,0,0,2,0|1,0,0]=3 1497 B13R2.72 O=C(O)C1=CSC2=C1C=CN=C2 MCULE-4684517356 [0,0,0,0,2,0|2,0,0]=4 1498 B13R2.72 O=C(O)C1=CSC2=CC=CN=C12 MCULE-9981354999 [0,0,0,0,2,0|2,0,0]=4 1499 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 MCULE-6118849993 [0,0,0,0,2,0|1,0,0]=3 1500 B13R2.72 O=C(O)C1=NNC2=C1C=CN=C2 MCULE-7663141596 [0,0,0,0,2,0|2,0,0]=4 1501 B13R2.72 O=C(O)C1=NNC2=CC=CN=C12 MCULE-1218949842 [0,0,0,0,2,0|2,0,0]=4 1502 B13R2.72 O=C(O)C1=NNC2=CC=NC=C12 MCULE-8291949237 [0,0,0,0,2,0|2,0,0]=4 1503 B13R2.72 O=C(O)C1=NNC2=NC=CC=C12 MCULE-6317531869 [0,0,0,0,2,0|2,0,0]=4 1504 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 MCULE-8907899256 [0,0,0,0,2,0|2,0,0]=4 1505 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 MCULE-5175918770 [0,0,0,0,2,0|2,0,0]=4 1506 B13R2.72 O=C(O)C1C=CC2=C1C=CC=C2 MCULE-2683790390 [0,0,0,0,2,0|1,0,1]=4 1507 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 MCULE-9569963908 [0,0,0,0,2,0|0,0,2]=4 1508 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 MCULE-9785577019 [0,0,0,0,2,0|0,0,2]=4 1509 B13R2.72 O=C(O)N1C=CC2=CC=CC=C12 MCULE-3235334301 [0,0,0,0,2,0|2,0,0]=4 1510 B13R2.72 O=C(O)N1C=NC2=CC=CC=C12 MCULE-2424411223 [0,0,0,0,2,0|1,0,1]=4 1511 B13R2.72 O=N(=O)C1=CNC2=C1C=CC=C2 MCULE-9401944807 [0,0,0,0,2,0|1,0,1]=4 1512 B13R2.72 OB(O)C1=CNC2=C1C=CC=C2 MCULE-1174263630 [0,0,0,0,2,0|1,0,1]=4 1513 B15R1.256 CC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-1336542091 [0,0,1,0,0,1|2,0,0]=4 1514 B15R1.256 NC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-5084075843 [0,0,1,0,0,1|1,0,0]=3 1515 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Br MCULE-3740370178 [0,0,1,0,0,1|2,0,0]=4 1516 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Cl MCULE-4039638178 [0,0,1,0,0,1|2,0,0]=4 1517 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)F MCULE-2549168717 [0,0,1,0,0,1|2,0,0]=4 1518 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)O MCULE-1365039410 [0,0,1,0,0,1|2,0,0]=4 1519 B15R1.256 O=C(O)CCC(=O)NC1=CC=CC=C1I MCULE-7518602629 [0,0,1,0,0,1|2,0,0]=4 1520 B15R1.256 O=C(O)CCC(=O)NC1=CC=CC=C1S MCULE-3426768184 [0,0,1,0,0,1|2,0,0]=4 1521 B15R1.8019 CC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-8627095197 [0,0,1,0,0,1|2,0,0]=4 1522 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2620024877 [0,0,1,0,0,1|2,0,0]=4 1523 B15R1.8019 CC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-4379850028 [0,0,1,0,0,1|2,0,0]=4 1524 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N MCULE-5824849409 [0,0,1,0,0,1|2,0,0]=4 1525 B15R1.8019 NC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2778673340 [0,0,1,0,0,1|1,0,0]=3 1526 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Br MCULE-6254117035 [0,0,1,0,0,1|2,0,0]=4 1527 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3103349432 [0,0,1,0,0,1|2,0,0]=4 1528 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)F MCULE-9757131659 [0,0,1,0,0,1|2,0,0]=4 1529 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)I MCULE-1920834995 [0,0,1,0,0,1|2,0,0]=4 1530 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Br MCULE-3840784923 [0,0,1,0,0,1|2,0,0]=4 1531 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F MCULE-2285078721 [0,0,1,0,0,1|2,0,0]=4 1532 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)O MCULE-9964432323 [0,0,1,0,0,1|2,0,0]=4 1533 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl MCULE-5544728437 [0,0,1,0,0,1|2,0,0]=4 1534 B15R1.504 O=C(O)CCCCNCC1=CC=CC=C1 MCULE-2774838019 [0,0,1,0,0,1|0,0,2]=4 1535 B15R1.504 O=C(O)CCCCNCC1=CC=CC=C1 MCULE-8874369109 [0,0,1,0,0,1|0,0,2]=4 1536 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-5177066965 [0,0,1,0,0,1|1,0,1]=4 1537 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-9569139312 [0,0,1,0,0,1|1,0,1]=4 1538 B15R1.4008 O=C(O)CCC(=NO)CC1=CC=CC=C1 MCULE-3288532547 [0,0,1,0,0,1|2,0,0]=4 1539 B15R2.352 C=CCCC1=CC2=C(C=CC=C2)C=C1 MCULE-3460438905 [1,0,0,0,0,1|2,0,0]=4 1540 B15R2.352 O=CCCC1=CC=C2N=CC=CC2=C1 MCULE-7140897033 [1,0,0,0,0,1|2,0,0]=4 1541 B15R2.352 OCCCC1=CC2=CC=CC=C2C=C1 MCULE-5500022518 [1,0,0,0,0,1|1,0,1]=4 1542 B15R2.352 OCCCC1=NC2=C(C=CC=C2)C=C1 MCULE-9656983812 [1,0,0,0,0,1|1,0,1]=4 1543 B15R2.18471 C=CCCC1=CC=CC2=CC=CC=C12 MCULE-3726956076 [1,0,0,0,0,1|2,0,0]=4 1544 B15R2.18471 O=CCCC1=CC=CC2=CC=CC=C12 MCULE-8812637451 [1,0,0,0,0,1|1,0,0]=3 1545 B15R2.18471 OCCCC1=C2C=CC=CC2=CC=C1 MCULE-2248969479 [1,0,0,0,0,1|1,0,1]=4 1546 B17R2.137 NC(=O)CCSCC1=CNC2=CC=CC=C12 MCULE-1693128182 [0,0,0,0,0,2|1,0,0]=3 1547 B17R2.137 O=C(O)CCCCC1=CNC2=C1C=CC=C2 MCULE-5436372444 [0,0,0,0,0,2|0,0,0]=2 1548 B17R2.137 O=C(O)CCCSC1=CNC2=C1C=CC=C2 MCULE-1812397387 [0,0,0,0,0,2|0,0,0]=2 1549 B17R2.137 O=C(O)CCSCC1=CNC2=CC=CC=C12 MCULE-7956059624 [0,0,0,0,0,2|0,0,0]=2 1550 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 MCULE-6018618045 [0,0,0,0,0,2|2,0,0]=4 1551 B17R2.5669 O=C(O)CCCC1=CC2=CC=CC=C2C=C1 MCULE-4630954685 [0,0,0,0,0,2|1,0,0]=3 1552 B17R2.5669 O=C(O)CCCC1=NC2=NC=CC=C2C=C1 MCULE-5430991170 [0,0,0,0,0,2|2,0,0]=4 1553 B17R2.5669 O=C(O)CCOC1=CC2=C(C=CC=C2)C=C1 MCULE-1369882803 [0,0,0,0,0,2|1,0,0]=3 1554 B17R2.5669 O=C(O)CCSC1=CC2=CC=CC=C2C=C1 MCULE-5256039383 [0,0,0,0,0,2|1,0,0]=3 1555 B17R2.5669 O=C(O)CCSC1=NC2=C(C=CC=C2)C=C1 MCULE-6014436402 [0,0,0,0,0,2|1,0,0]=3 1556 B17R2.5669 O=C(O)CCSC1=NC2=CC=CC=C2N=C1 MCULE-8192555573 [0,0,0,0,0,2|0,0,1]=3 1557 B17R2.5669 O=C([O-])CCSC1=NC2=C(C=CC=C2)C=C1 MCULE-5316836081 [0,0,0,0,0,2|1,0,1]=4 1558 B17R2.291558 O=C(O)CCCC1=C2C=CC=CC2=CC=C1 MCULE-8333010495 [0,0,0,0,0,2|1,0,0]=3 1559 B17R2.291558 O=C(O)CCNC1=NC=NC2=CC=CC=C12 MCULE-2862944369 [0,0,0,0,0,2|0,0,1]=3 1560 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 MCULE-9148487789 [0,0,0,0,0,2|1,0,0]=3 1561 B17R2.291558 O=C(O)CCSC1=C2C=CC=CC2=NC=N1 MCULE-5441461072 [0,0,0,0,0,2|0,0,1]=3 1562 B17R2.291558 O=C(O)CCSC1=CC=CC2=C1C=CC=C2 MCULE-5693432022 [0,0,0,0,0,2|1,0,0]=3 1563 B17R2.291558 O=C(O)CC[NH2+]C1=NC=NC2=CC=CC=C12 MCULE-5200901209 [0,0,0,0,0,2|0,0,1]=3 1564 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-7691053249 [0,0,0,0,0,2|1,0,0]=3 1565 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-8631815589 [0,0,0,0,0,2|1,0,0]=3 1566 B17R2.291558 O=C(O)CNCC1=NC=CC2=C1C=CC=C2 MCULE-6052705912 [0,0,0,0,0,2|1,0,0]=3 1567 B17R2.291558 O=C(O)CSCC1=C2C=CC=CC2=CC=C1 MCULE-9828528035 [0,0,0,0,0,2|1,0,0]=3