0 B6R0.2 CC(C)CB(O)O SPC-r379 [1,0,0,0,0,0|1,0,2]=4 1 B6R0.3 CC(C)C(=O)NN SPC-t733 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.2 CON(C)C(=O)C(C)C SPC-m417 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.54 C[C@H](Br)C(=O)C1CC1 SPC-p141 [0,0,0,1,0,0|2,0,1]=4 17 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [1,1,0,0,0,0|2,0,0]=4 19 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [1,1,0,0,0,0|1,1,0]=4 21 B7R0.14 CC(C)(C)C(=O)CN SPC-n968 [1,1,0,0,0,0|1,0,1]=4 22 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SPC-u852 [0,1,0,0,0,1|1,0,1]=4 23 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|1,0,1]=4 24 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|1,0,1]=4 25 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|0,0,1]=3 26 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|0,0,1]=3 27 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|0,0,1]=3 28 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|0,0,1]=3 29 B7R1.12 O=C(O)C1CC1F SPC-s871 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [1,0,0,1,0,0|1,0,1]=4 33 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|0,0,1]=3 38 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.17 CC1(C)CCC1=O SPC-s190 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.17 CC1(C)OCC1=O SPC-r001 [1,0,0,1,0,0|0,0,1]=3 42 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [1,0,0,1,0,0|0,0,2]=4 46 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [1,0,0,1,0,0|0,0,2]=4 47 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [1,0,0,1,0,0|0,0,2]=4 49 B7R1.19 CC1(C(=O)O)CC1 SPC-j883 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.19 NC1(C(=O)O)CC1 SPC-k241 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.19 O=C(O)C1(F)CC1 SPC-s779 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [1,0,0,1,0,0|0,0,2]=4 53 B7R1.22 NNC(=O)C1CC1 SPC-g371 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,0,0,1,0,1|1,0,1]=4 55 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,0,0,1,0,1|1,0,1]=4 56 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,0,0,1,0,1|1,0,1]=4 57 B9R1.69 N[C@H]1CCC(=O)NC1=O SPC-g515 [0,0,0,1,0,1|2,0,0]=4 58 B9R1.112 N[C@@H](CC1CC1)C(=O)O SPC-u403 [0,0,0,1,0,1|1,0,1]=4 59 B9R1.164 CC1(C)C=C(C(=O)O)C1 SPC-j758 [0,0,0,1,0,1|1,0,0]=3 60 B9R1.164 CC1(C)CC(C(=O)O)C1 SPC-h348 [0,0,0,1,0,1|1,0,1]=4 61 B9R1.96 CCC1CN[C@@H]1C(=O)O SPC-p137 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.110 N[C@@H](C(=O)O)C1CCC1 SPC-j771 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.110 N[C@@H](C(=O)O)C1COC1 SPC-i747 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h873 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h964 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i177 [0,1,0,1,0,0|1,0,1]=4 67 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i947 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.111 CC1([C@H](N)C(=O)O)CC1 SPC-p158 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.166 CC1(C)CN[C@@H]1C(=O)O SPC-p136 [0,1,0,1,0,0|1,0,1]=4 70 B9R2.143 O=C(O)[C@H]1CC12CC2 SPC-i461 [0,0,0,2,0,0|1,0,1]=4