0 B6R0.4 CC(C)NCCCl AK110294 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 CC(C)OCCBr AK110255 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 NOCC(C)C AK-83418 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 O=CCN(C)C AK136086 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 O=CCN(C)C AK172998 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,0|1,0,0]=2 6 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.6 CC(NNC(C)C)=O AK118752 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.8 OC\C=C\[Si](C)(C)C AK307454 [0,1,0,0,0,0|0,1,2]=4 15 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,1,0,0|2,0,1]=4 33 B4R0.1 CC(C)ON AK-81639 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CC(NN)C AK-46728 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 ONC(C)C AK117015 [2,0,0,0,0,0|1,0,1]=4 36 B4R0.2 C=CCCN AK165308 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 C=CC[C@@H](N)CO AK684514 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.2 C(C(=O)O)N(C)C AK-41194 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.2 CC(NC(C)C)=O AK-86542 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [1,1,0,0,0,0|0,0,1]=3 48 B6R0.2 O=C([O-])C[S+](C)C AK543883 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.3 CC(C)\C(N)=N\O AK117017 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.6 C\C=C\CCCO AK-46431 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.6 ClCCCCC=O AK110863 [1,1,0,0,0,0|0,0,2]=4 52 B6R0.6 O=CCCCCO AK-40206 [1,1,0,0,0,0|0,0,2]=4 53 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|1,0,0]=3 54 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,2,0,0,0,0|0,0,2]=4 55 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,2,0,0,0,0|0,0,2]=4 58 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,2,0,0,0,0|0,0,2]=4 59 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,2,0,0,0,0|0,0,2]=4 60 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,2,0,0,0,0|0,0,2]=4 61 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,2,0,0,0,0|0,0,2]=4 62 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,2,0,0,0,0|0,0,2]=4 63 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,2,0,0,0,0|0,0,2]=4 64 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,2,0,0,0,0|0,0,2]=4 66 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,2,0,0,0,0|0,0,2]=4 67 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,2,0,0,0,0|0,0,2]=4 68 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,2,0,0,0,0|0,0,2]=4 69 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.21 CC(C)(S)CCOC=O AK297149 [0,2,0,0,0,0|0,0,2]=4 71 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,2,0,0,0,0|1,0,1]=4 75 B6R1.2 NC1CC=CC1 AK-44792 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [0,1,0,1,0,0|0,0,2]=4 88 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,1,0,1,0,0|0,0,2]=4 90 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|0,0,2]=4 92 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.18 O=C1CN(C)C(N1)=N AK113718 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,1,0,1,0,0|0,0,2]=4 98 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,1,0,1,0,0|0,0,2]=4 100 B8R1.2 OCC1CCC=CC1 AK-63968 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,1,0,1,0,0|0,0,1]=3 104 B8R1.7 CC(C1=NC=CN1)C AK106223 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,1,0,1,0,0|1,1,0]=4 106 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,1,0,1,0,0|1,1,0]=4 107 B8R1.7 CC(N1C=CN=C1)C AK-79287 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.7 CC(N1N=CC=C1)C AK-61646 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,1,0,1,0,0|1,1,0]=4 110 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,1,0,1,0,0|1,1,0]=4 112 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,1,0,1,0,0|1,1,0]=4 113 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,1,0,1,0,0|0,0,2]=4