0 B6R0.2 CC(C)CB(O)O SPC-r379 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,1,0,0,0,0|2,0,0]=3 3 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.2 CN1C=C(N)C=N1 SPC-g585 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.2 CN1C=C(N)C=N1 SPC-p030 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,0,0,1,0,0|1,0,1]=3 7 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,0,0,1,0,0|1,0,2]=4 8 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,0,0,1,0,0|1,0,1]=3 9 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,0,0,1,0,0|1,0,1]=3 10 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,1,0,0|1,0,0]=2 12 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,1,0,0|1,0,0]=2 13 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.16 CC1(C)CC(N)C1 SPC-i087 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,0,0,1,0,0|3,0,0]=4 38 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.5 CC(C)(C)CC=O SPC-v719 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.7 CC(C)(C)[S@@](N)=O SPC-g440 [0,1,0,0,1,0|2,0,0]=4 47 B6R0.7 CC(C)(C)[S@@](N)=O SPC-s712 [0,1,0,0,1,0|2,0,0]=4 48 B6R0.7 CC(C)(C)[S@](N)=O SPC-g211 [0,1,0,0,1,0|2,0,0]=4 49 B8R0.16 CN(C)CC(CN)CN SPC-u005 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.24 CC(C)(C)OC(=O)NO SPC-r381 [0,2,0,0,0,0|2,0,0]=4 51 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|1,0,0]=3 52 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|2,0,0]=4 53 B6R1.3 NCCC1CC1 SPC-t690 [1,0,0,1,0,0|1,0,1]=4 54 B6R1.3 NNCC1CC1 SPC-k402 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|1,0,0]=3 56 B6R1.5 CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|0,0,0]=2 57 B6R1.5 CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|0,0,0]=2 58 B6R1.5 CN1CC(Cl)C1 SPC-u755 [1,0,0,1,0,0|1,0,1]=4 59 B6R1.5 CN1CC(N)C1 SPC-a122 [1,0,0,1,0,0|0,0,1]=3 60 B6R1.5 CN1CC(N)C1 SPC-a122 [1,0,0,1,0,0|0,0,1]=3 61 B6R1.5 CN1CC(O)C1 SPC-h814 [1,0,0,1,0,0|0,0,2]=4 62 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.10 CC1(N)CNC1 SPC-i010 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,0,0,1,1,0|2,0,0]=4 68 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,0,0,1,1,0|2,0,0]=4 69 B8R1.3 CN1CCC(N)CC1 SPC-j190 [0,0,0,1,0,1|1,0,1]=4 70 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,0,0,1,0,1|1,0,0]=3 71 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,0,0,1,0,1|1,0,0]=3 72 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,0,0,1,0,1|1,0,0]=3 73 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,0,0,1,0,1|2,0,0]=4 74 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,0,0,1,0,1|2,0,0]=4 75 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,0,0,1,0,1|2,0,0]=4 76 B8R1.23 CC(C)[C@@H]1CC(=O)N1 SPC-v044 [0,0,0,1,0,1|1,0,0]=3 77 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,0,0,1,0,1|2,0,0]=4 78 B8R1.23 CN(C)C1CC(N)C1 SPC-u493 [0,0,0,1,0,1|1,0,1]=4 79 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,0,0,1,0,1|1,0,0]=3 80 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,0,0,1,0,1|2,0,0]=4 82 B8R1.51 CC1(C)COC(=O)N1 SPC-k094 [0,0,0,1,0,1|1,0,0]=3 83 B8R1.1 CN1CC[C@@H](CN)C1 SPC-m834 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.1 CN1CC[C@@H](CN)C1 SPC-m835 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.1 CN1CC[C@H](CN)C1 SPC-h345 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.1 CN1CC[C@H](CN)C1 SPC-n837 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.4 C[C@@H]1CN(C)CCN1 SPC-s054 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.18 CC1=CC(N)=NN1C SPC-v288 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.34 CN(C)CC1CNC1 SPC-h989 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.62 CC1(CO)CC(=O)C1 SPC-i173 [0,1,0,1,0,0|2,0,0]=4 121 B8R2.53 O=C1CC2(CC2)C1 SPC-u048 [0,0,0,2,0,0|2,0,0]=4 122 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [0,0,0,0,0,2|1,0,0]=3