0 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 NC(CC)C(N)=O BCP08675 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CN(CCBr)C BCP20000 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 C[C@@H](N)CCO BCP01279 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C[C@@H](N)COC BCP19342 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 NC(SCC)=N BCP20133 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,0,0,0,0|2,1,0]=4 17 B5R0.3 SC(CS)CO BCP18145 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.5 CC(C)C(C)O BCP29487 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.5 CC(C)C(N)=N BCP07536 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.5 C[C@@H](N)C(C)C BCP06945 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,0,0,0,0,0|1,1,1]=4 24 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,0,0,0,0|1,1,1]=4 31 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.10 COC([C](C)CO)=O BCP16617 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.10 O=C(OC)[C](CO)N BCP15170 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,1,0,0,0,0|1,1,0]=3 36 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.13 NCC(C(=O)N)(C)C BCP04929 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,0,0|1,1,1]=4 42 B7R1.4 C=C1CCOC1=O BCP18620 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.4 O=C1CCCN1N BCP15282 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.4 OC1CCNC1=O BCP00893 [0,0,0,1,0,0|1,1,0]=3 49 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,0,0,1,0,0|2,0,0]=3 53 B7R0.2 CC(N)CC(C)CC BCP07039 [0,0,0,0,0,1|2,0,1]=4 54 B7R0.2 CC(N)CC(C)CC BCP18792 [0,0,0,0,0,1|2,0,1]=4 55 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,0,0,0,0,1|2,0,0]=3 56 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|1,0,0]=3 57 B4R0.1 CC(O)CN BCP08083 [2,0,0,0,0,0|1,1,0]=4 58 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|0,1,0]=3 59 B4R0.1 C[C@H](N)CN BCP05857 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 CSCCN BCP16561 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 NCCOC BCP15361 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 O=C(C#N)OCC BCP04941 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.1 O=C(C=C)OCC BCP06341 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.1 O=C(OC)CCO BCP16887 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.1 O=C(OC)CCS BCP16637 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 O=C(OCC)CBr BCP04940 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.2 CC(C)NC(C)=O BCP19527 [1,1,0,0,0,0|1,0,0]=3 70 B6R0.2 CC(CC(N)=O)=O BCP19964 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(OC(C)=O)=O BCP20665 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [1,1,0,0,0,0|0,0,2]=4 73 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.4 BrCCCN(C)C BCP18662 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.4 CC(C)CCCO BCP06801 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.4 CCCCC(N)=N BCP11276 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.5 CS(CCN)(=O)=O BCP09595 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.5 NCCS(=O)(=O)C BCP04141 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.5 NS(CCC)(=O)=O BCP20038 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,1,0,0,0,1|2,0,0]=4 84 B8R0.19 O=C(OC)CC(O)CCl BCP13432 [0,1,0,0,0,1|1,1,0]=4 85 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,1|2,0,0]=4 86 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,2,0,0,0,0|1,1,0]=4 87 B8R0.37 NC(C(C)C)(C)C(N)=O BCP14288 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.27 NC(C(C)(C)C)C(=O)O BCP15485 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.27 N[C@@H](C(O)=O)C(C)(S)C BCP17247 [0,2,0,0,0,0|2,0,0]=4 90 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,1,0,0|0,0,2]=4 91 B6R1.2 NC1=NCCC1 BCP11252 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.10 NC1(C)CCC1 BCP13870 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.11 N[C](C1CC1)C BCP14967 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,0,0,1,0,1|1,0,1]=4 98 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,1,0,1|2,0,0]=4 99 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,0,0,1,0,1|1,1,0]=4 100 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,0,1,0,1|2,0,0]=4 101 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|0,1,0]=3 102 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.7 CC(C1=NCCS1)=O BCP17112 [0,1,0,1,0,0|0,0,1]=3 104 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|1,1,0]=4 106 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.39 COC(=O)C1(Br)CC1 BCP14088 [0,1,0,1,0,0|1,0,0]=3