0 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,0,0,0,0,0|0,0,2]=2 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|3,0,0]=3 6 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 NC(SCC)=N BCP20133 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,0,0,0,0|1,2,0]=4 14 B5R0.3 C(C(CO)N)O BCP04588 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 CC[C](N)CO BCP16938 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 NCC(CO)O BCP18703 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 SC(CS)CO BCP18145 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.5 C=C(Cl)C(O)=O BCP13841 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.5 CC(C)C(C)O BCP29487 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.5 CC(C)C(N)=N BCP07536 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 C[C@@H](N)C(C)C BCP06945 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.10 COC([C](C)CO)=O BCP16617 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.10 NCC(C)[C@@H](CO)N BCP14692 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.10 O=C(OC)[C](CO)N BCP15170 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.13 NCC(C(=O)N)(C)C BCP04929 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.13 O=C(O)C(C)(C)ON BCP12073 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.15 SC[C](N=[Se])C(O)=O BCP09581 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,0,0|1,0,2]=4 48 B7R1.4 C=C1CCOC1=O BCP18620 [0,0,0,1,0,0|0,0,2]=3 49 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.4 O=C1CCCN1N BCP15282 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.4 OC1CCNC1=O BCP00893 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.18 OB(C1CCC1)O BCP05474 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,0,0,1,0,0|0,0,0]=1 59 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,0,0,1,0,0|1,0,0]=2 60 B7R0.2 CC(N)CC(C)CC BCP07039 [0,0,0,0,0,1|2,0,1]=4 61 B7R0.2 CC(N)CC(C)CC BCP18792 [0,0,0,0,0,1|2,0,1]=4 62 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,0,0,0,0,1|1,0,0]=2 63 B4R0.1 CC(C)[Mg]Cl BCP10965 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 CC(O)C#C BCP05896 [2,0,0,0,0,0|0,0,2]=4 66 B4R0.1 CC(O)CN BCP08083 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 C[C@@H](O)C#C BCP15480 [2,0,0,0,0,0|0,0,2]=4 68 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|0,0,0]=2 69 B4R0.1 C[C@H](N)CN BCP05857 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.1 O=C(C#N)OCC BCP04941 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.1 O=C(C=C)OCC BCP06341 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.1 O=C(OC)CCO BCP16887 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.1 O=C(OC)CCS BCP16637 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.1 O=C(OCC)CBr BCP04940 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.2 CC(C)NC(C)=O BCP19527 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.2 CC(CC(N)=O)=O BCP19964 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|0,0,0]=2 82 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|0,0,0]=2 83 B6R0.2 OB(CC(C)C)O BCP12813 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.2 OC(CC(O)=O)=O BCP05571 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.4 CCCCC(N)=N BCP11276 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,1,0,0,0,0|0,0,2]=4 87 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|0,0,0]=2 88 B6R0.5 NS(CCC)(=O)=O BCP20038 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.8 CC(CO)(C)CN BCP16960 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.8 OCC(C)(C)CBr BCP17392 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.9 CCN(N=O)CC BCP19136 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.9 OCC(CO)CO BCP14986 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.7 CC(S(N)=O)(C)C BCP14651 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,1,0,0,0,1|0,0,1]=3 96 B8R0.19 O=C(OC)CC(O)CCl BCP13432 [0,1,0,0,0,1|2,0,0]=4 97 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,1|1,0,0]=3 98 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,1,0,0,0,1|1,0,1]=4 99 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.36 O=C(O)C(C)(CO)CO BCP05563 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.37 NC(C(C)C)(C)C(N)=O BCP14288 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.27 CC(C)(C)C(C(O)=O)=O BCP18772 [0,2,0,0,0,0|1,0,1]=4 105 B8R0.27 NC(C(C)(C)C)C(=O)O BCP15485 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.27 N[C@@H](C(O)=O)C(C)(S)C BCP17247 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.27 N[C](C(O)=O)C(C)(C)C BCP04717 [0,2,0,0,0,0|1,0,1]=4 108 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.2 NC1=NCCC1 BCP11252 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,1,0,0|0,0,2]=4 113 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,1,0,0|1,1,0]=4 114 B6R1.6 BrCC1CCC1 BCP18414 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.6 OCC1CCC1 BCP17767 [1,0,0,1,0,0|0,0,1]=3 116 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,0,0,1,0,1|2,0,0]=4 117 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,1,0,1|2,0,0]=4 118 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,0,0,1,0,1|2,0,0]=4 119 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,0,1,0,1|0,0,0]=2 120 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,1,0,1,0,0|0,0,0]=2 125 B8R1.7 O=C([C]1NCSC1)O BCP13616 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|0,0,0]=2 127 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,1,0,1,0,0|0,0,0]=2 128 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,1,0,1,0,0|0,0,1]=3 129 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,1,0,1,0,0|0,0,0]=2 131 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.39 COC(=O)C1(Br)CC1 BCP14088 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.70 CC1(S(=O)(N)=O)CC1 BCP17230 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.77 CC1(C[C]1C(N)=O)C BCP16588 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,1,0,1,0,0|1,0,0]=3