0 B5R0.3 C(C(CN)O)N BCP18704 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(CO)N)O BCP04588 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CC[C](N)CO BCP16938 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 NCC(CO)O BCP18703 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 O=C(CBr)CC BCP08723 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 SC(CS)CO BCP18145 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(C)[Mg]Cl BCP10965 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(CBr)=O BCP06577 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CC(Cl)C#N BCP10983 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(O)C#C BCP05896 [1,0,0,0,0,0|0,0,3]=4 10 B4R0.1 CC(O)CN BCP08083 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 CN(C)NC BCP16365 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@@H](O)C#C BCP15480 [1,0,0,0,0,0|0,0,3]=4 13 B4R0.1 C[C@@H](O)CC BCP06774 [1,0,0,0,0,0|0,0,1]=2 14 B4R0.1 C[C@H](N)CN BCP05857 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C[C](N)CO BCP13388 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 FC(F)CO BCP05861 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 O=C(O)CCl BCP20585 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 O=CC(O)=O BCP15407 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 C#CCCN BCP19829 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 C=CCON BCP19009 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 CCN=C=S BCP05940 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.2 CSCCN BCP16561 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 ClCCCBr BCP16557 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 NCCOC BCP15361 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 NOCCO BCP11232 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 O=C(C=C)OCC BCP06341 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 OC[C@@H](C)COC BCP11697 [0,1,0,0,0,0|0,0,2]=3 28 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,1,0,0,0,0|0,0,0]=1 31 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,1,0,0,0,0|0,0,2]=3 32 B6R0.3 NC(CC)C(N)=O BCP08675 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.8 CC(CO)(C)CN BCP16960 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.8 OCC(C)(C)CBr BCP17392 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.9 CCN(CC)CC BCP07310 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.9 CCN(CC)CC BCP16967 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.9 CCN(N=O)CC BCP19136 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.9 CCP(CC)CC BCP04420 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.9 OCC(CO)CO BCP14986 [0,1,0,0,0,0|1,0,2]=4 42 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 F[C@@H]1CCNC1 BCP14098 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 IC1COCC1 BCP14190 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 N[C@@H]1COCC1 BCP06180 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.2 OC1COCC1 BCP13266 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.2 O[C@@H]1CNCC1 BCP14826 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 O[C@@H]1CNCC1 BCP15469 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.6 BrCC1CCC1 BCP18414 [0,0,0,1,0,0|1,0,1]=3 50 B6R1.6 OCC1CCC1 BCP17767 [0,0,0,1,0,0|0,0,2]=3 51 B3R0.1 C#CC=O BCP06452 [2,0,0,0,0,0|0,0,2]=4 52 B3R0.1 C=CC=O BCP07056 [2,0,0,0,0,0|0,0,2]=4 53 B3R0.1 CCCN BCP18818 [2,0,0,0,0,0|1,0,0]=3 54 B3R0.1 COCCl BCP08223 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 NCCS BCP15015 [2,0,0,0,0,0|1,1,0]=4 56 B3R0.1 NCCS BCP15033 [2,0,0,0,0,0|1,1,0]=4 57 B3R0.2 CC(Br)Cl BCP14483 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.2 CC(O)=O BCP05544 [2,0,0,0,0,0|1,0,1]=4 59 B3R0.2 [O-]C(=O)C BCP05504 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 CC(C)N=C=O BCP15287 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.1 CC(OCCl)=O BCP16170 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.1 CN(CCBr)C BCP20000 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.1 C[C@@H](N)CCO BCP01279 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.1 C[C@@H](N)COC BCP19342 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.1 NNCC(C)C BCP06610 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.1 O=C(Cl)CCBr BCP20557 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 O=C(Cl)CCCl BCP09962 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.1 OC(CCO)=O BCP05902 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.1 OC(CCS)=O BCP16636 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.4 CC(C)(C)CN BCP11254 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.4 CC(C)(S)CN BCP10543 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.4 CC(O)(C)C#C BCP18661 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.4 CC(O)(C)CN BCP16117 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.4 FC(CO)(C)F BCP15466 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.4 NOC(C)(C)C BCP10169 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.5 CC(C)C(C)O BCP29487 [1,1,0,0,0,0|0,0,1]=3 77 B5R0.5 CC(C)C(N)=N BCP07536 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.5 C[C@@H](N)C(C)C BCP06945 [1,1,0,0,0,0|0,0,1]=3 80 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.2 C=CCCC=C BCP08456 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.2 ClCCOCC BCP15316 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.2 NCCCCO BCP18612 [1,1,0,0,0,0|0,0,2]=4 85 B5R0.2 O=CCCC=O BCP20105 [1,1,0,0,0,0|0,0,1]=3 86 B7R0.2 CC(CN(C)C)CCl BCP09620 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.2 CC(N)CC(C)CC BCP07039 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.2 CC(N)CC(C)CC BCP18792 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.10 COC([C](C)CO)=O BCP16617 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.10 NCC(C)[C@@H](CO)N BCP14692 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.12 COC(OC)CSC BCP20569 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,2,0,0,0,0|1,0,0]=3 104 B7R0.13 NCC(C(=O)N)(C)C BCP04929 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,2,0,0,0,0|0,0,0]=2 106 B7R0.13 O=C(O)C(C)(C)ON BCP12073 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,2,0,0,0,0|1,0,1]=4 110 B5R1.2 FC1CNC1 BCP14095 [1,0,0,1,0,0|2,0,0]=4 111 B5R1.2 IC1COC1 BCP08336 [1,0,0,1,0,0|2,0,0]=4 112 B5R1.2 NC1COC1 BCP07405 [1,0,0,1,0,0|2,0,0]=4 113 B5R1.2 NC1COC1 BCP10369 [1,0,0,1,0,0|2,0,0]=4 114 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,1,0,0|1,0,1]=4 115 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|1,0,1]=4 116 B5R1.2 O=C1COC1 BCP05482 [1,0,0,1,0,0|1,0,1]=4 117 B5R1.3 C1C(O1)CCl BCP13411 [1,0,0,1,0,0|1,0,1]=4 118 B5R1.3 CNC1CC1 BCP29185 [1,0,0,1,0,0|1,0,1]=4 119 B5R1.3 ClC[C@@H]1OC1 BCP08874 [1,0,0,1,0,0|1,0,1]=4 120 B5R1.3 NNC1CC1 BCP28107 [1,0,0,1,0,0|2,0,0]=4 121 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 CNC1COCC1 BCP11597 [0,1,0,1,0,0|0,0,2]=4 123 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,1,0,0|0,0,0]=2 124 B7R1.1 OCC1CCCC1 BCP29184 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,1,0,1,0,0|0,0,2]=4 131 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,1,0,1,0,0|0,0,2]=4 132 B7R1.3 OC1C=CCCC1 BCP18001 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,1,0,0|0,0,2]=4 134 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.18 O=C(C1CNC1)O BCP07094 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.18 OB(C1CCC1)O BCP05474 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,1,0,1,0,0|0,0,0]=2 143 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,1,0,1,0,0|1,0,0]=3 144 B7R2.13 C12CNCC1C2 BCP14124 [0,0,0,2,0,0|1,0,1]=4