0 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,0,0,0,0,0|2,0,1]=4 1 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,0,0,1,0,0|1,0,1]=3 2 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,0,0,1,0,0|2,0,0]=3 3 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,0,0,1,0,0|1,0,0]=2 4 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,0,0,1,0,0|2,0,0]=3 7 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.23 CC(=O)N1CC(N)C1 SPC-h425 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.23 CC(=O)N1CC(O)C1 SPC-h857 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.23 CC(C)[C@@H]1CC(=O)N1 SPC-v044 [0,0,0,1,0,0|1,0,0]=2 13 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.51 CC1(C)COC(=O)N1 SPC-k094 [0,0,0,1,0,0|1,0,0]=2 31 B6R0.2 CC(C)CB(O)O SPC-r379 [0,0,0,0,1,0|2,0,1]=4 32 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [0,0,0,0,0,1|3,0,0]=4 33 B5R0.1 CCC[C@H](C)N SPC-k309 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,1,0,0,1,0|1,0,0]=3 35 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [0,1,0,0,1,0|1,0,0]=3 36 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SPC-u852 [0,2,0,0,0,0|2,0,0]=4 37 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|1,0,0]=3 38 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 C[C@H]1COCCN1 SPC-m696 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.3 O=C1CCCNC1 SPC-q237 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 O=C1CCCOC1 SPC-g865 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 O=C1CCCSC1 SPC-k221 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 O=C1CCOCC1 SPC-g072 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 O=C1CCSCC1 SPC-g130 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 O=C1CNCCN1 SPC-g151 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 O=C1COCCN1 SPC-g147 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.10 COC1CC(=O)C1 SPC-i084 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.10 O=C1CC(CO)C1 SPC-h515 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.14 CC1(C)CCNC1 SPC-m061 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.17 CC1(C)CCC1=O SPC-s190 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.17 CC1(C)OCC1=O SPC-r001 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.18 CC(=O)C1CCC1 SPC-h776 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.18 CC(=O)C1COC1 SPC-r005 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,0,0,1,1,0|0,0,0]=2 78 B7R1.16 CC1(C)CC(N)C1 SPC-i087 [0,0,0,1,1,0|1,0,1]=4 79 B7R1.16 CC1(C)CC(O)C1 SPC-s261 [0,0,0,1,1,0|0,0,2]=4 80 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [0,0,0,1,1,0|1,0,0]=3 81 B7R1.16 O=C1CC(F)(F)C1 SPC-i439 [0,0,0,1,1,0|2,0,0]=4 82 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SPC-k184 [0,0,0,1,0,1|2,0,0]=4 83 B9R1.35 CC(=O)N1CC[C@H](N)C1 SPC-u453 [0,0,0,1,0,1|2,0,0]=4 84 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,0,0,1,0,1|1,0,0]=3 85 B9R1.53 CC(=O)NC1CC(N)C1 SPC-k956 [0,0,0,1,0,1|2,0,0]=4 86 B9R1.53 CC(=O)OC1CC(=O)C1 SPC-h444 [0,0,0,1,0,1|1,0,1]=4 87 B9R1.66 CC1(C)CC(=O)CCO1 SPC-s192 [0,0,0,1,0,1|1,0,0]=3 88 B9R1.66 CC1(C)CCCC(=O)C1 SPC-p301 [0,0,0,1,0,1|1,0,0]=3 89 B9R1.166 CC1(C)CN[C@@H]1C(=O)O SPC-p136 [0,0,0,1,0,1|2,0,0]=4 90 B9R1.1 NC[C@H]1CCC(=O)NC1 SPC-n169 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.1 O=C1CO[C@@H](CO)CN1 SPC-u038 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.1 O=C1CO[C@H](CO)CN1 SPC-v317 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.10 CC1(C)CCC(=O)CC1 SPC-r386 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.10 CC1(C)CNC(=O)CN1 SPC-p617 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.10 O=C1CCC(F)(F)CC1 SPC-g678 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.10 O=C1CCC(F)(F)CN1 SPC-m328 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.69 CN1C[C@@H](N)CCC1=O SPC-j654 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 SPC-t564 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.69 C[C@H]1CN(C)C(=O)CN1 SPC-u382 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 SPC-u935 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.82 COC(=O)C1CC(Br)C1 SPC-h673 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.82 COC(=O)C1CC(Cl)C1 SPC-h318 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.82 COC(=O)C1CC(N)C1 SPC-k185 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.82 COC(=O)C1CC(O)C1 SPC-h741 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.82 COC(=O)N1CC(O)C1 SPC-q678 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SPC-h432 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 SPC-i358 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SPC-h525 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.82 O=C(CCl)N1CC(O)C1 SPC-u464 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.95 COC1CC(C(=O)O)C1 SPC-i683 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 SPC-i655 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 SPC-i033 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.95 NCC1CC(C(=O)O)C1 SPC-m330 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.133 CC1(C)C[C@H](CN)CO1 SPC-u590 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.112 NC(=O)[C@@H](N)CC1CC1 SPC-v428 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.112 N[C@@H](CC1CC1)C(=O)O SPC-u403 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.164 CC(=O)C1CC(F)(F)C1 SPC-i626 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.164 CC1(C)C=C(C(=O)O)C1 SPC-j758 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.164 CC1(C)CC(C(=O)O)C1 SPC-h348 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.164 CC1(O)CC(C(=O)O)C1 SPC-h988 [0,1,0,1,0,0|2,0,0]=4 121 B9R2.41 O=C1CC(C2CC2)C1 SPC-i387 [0,0,0,2,0,0|1,0,0]=3 122 B9R2.145 CC(=O)C12CC(C1)C2 SPC-a956 [0,0,0,2,0,0|1,0,0]=3 123 B9R2.145 NC(=O)C12CC(C1)C2 SPC-a766 [0,0,0,2,0,0|2,0,0]=4 124 B9R2.145 O=C(O)C12CC(C1)C2 SPC-a121 [0,0,0,2,0,0|2,0,0]=4 125 B9R2.139 O=C1CC2(CC2)CN1 SPC-b633 [0,0,0,2,0,0|1,0,0]=3 126 B9R2.139 O=C1CC2(CC2)CO1 SPC-t063 [0,0,0,2,0,0|0,0,0]=2 127 B9R2.143 O=C(O)[C@H]1CC12CC2 SPC-i461 [0,0,0,2,0,0|2,0,0]=4