0 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,0,0,0|0,0,1]=2 3 B6R1.2 F[C@@H]1CCNC1 BCP14098 [1,0,0,0,0,0|3,0,0]=4 4 B6R1.2 IC1COCC1 BCP14190 [1,0,0,0,0,0|3,0,0]=4 5 B6R1.2 NC1=NCCC1 BCP11252 [1,0,0,0,0,0|2,0,0]=3 6 B6R1.2 N[C@@H]1COCC1 BCP06180 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,0,0,0|1,0,0]=2 9 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,0,0,0|0,0,2]=3 10 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,0,0,0|1,1,0]=3 11 B6R1.2 OC1COCC1 BCP13266 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 O[C@@H]1CNCC1 BCP14826 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 O[C@@H]1CNCC1 BCP15469 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.50 O=C1CCC(N1Br)=O BCP15478 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.50 O=C1CCC(N1I)=O BCP18538 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 O=C(C#N)OCC BCP04941 [0,0,1,0,0,0|1,0,1]=3 17 B6R0.1 O=C(C=C)OCC BCP06341 [0,0,1,0,0,0|0,0,2]=3 18 B6R0.1 O=C(OC)CCO BCP16887 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.1 O=C(OC)CCS BCP16637 [0,0,1,0,0,0|3,0,0]=4 20 B6R0.1 O=C(OCC)CBr BCP04940 [0,0,1,0,0,0|1,0,0]=2 21 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,1,0,0,0|2,0,0]=3 22 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,1,0,0,0|1,0,0]=2 23 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,1,0,0,0|1,0,1]=3 24 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,1,0,0,0|2,0,1]=4 25 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,1,0,0,0|3,0,0]=4 26 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,1,0,0,0|3,0,0]=4 27 B6R0.4 CC(C)CCCO BCP06801 [0,0,1,0,0,0|1,0,2]=4 28 B6R0.4 CCCCC(N)=N BCP11276 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,0,1,0,0,0|1,0,2]=4 30 B6R0.4 OC(CSCC)=O BCP05241 [0,0,1,0,0,0|1,0,0]=2 31 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,0,0,0,1|1,0,0]=2 32 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,0,0,0,0,1|2,0,0]=3 33 B8R1.4 C[C@@H]1CN(C)CCN1 BCP14054 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,0,0,0,0,1|1,0,1]=3 35 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,0,0,0,0,1|2,0,1]=4 36 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,0,0,0,0,1|2,0,0]=3 37 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,0,0,0,0,1|2,0,0]=3 39 B5R0.1 CC(C)N=C=O BCP15287 [1,0,1,0,0,0|1,0,1]=4 40 B5R0.1 CC(OCCl)=O BCP16170 [1,0,1,0,0,0|1,0,0]=3 41 B5R0.1 C[C@@H](N)CCO BCP01279 [1,0,1,0,0,0|1,0,1]=4 42 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,1,0,0,0|2,0,0]=4 43 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,1,0,0,0|2,0,0]=4 44 B5R0.1 OC(CCO)=O BCP05902 [1,0,1,0,0,0|1,0,0]=3 45 B5R0.1 OC(CCS)=O BCP16636 [1,0,1,0,0,0|1,0,0]=3 46 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,1,0,0,0|1,1,0]=4 47 B5R0.2 ClCCOCC BCP15316 [1,0,1,0,0,0|1,0,1]=4 48 B5R0.2 NCCCCO BCP18612 [1,0,1,0,0,0|1,0,1]=4 49 B5R0.2 O=CCCC=O BCP20105 [1,0,1,0,0,0|0,0,2]=4 50 B5R0.3 O=C(CBr)CC BCP08723 [1,0,1,0,0,0|1,0,0]=3 51 B5R0.3 O=C(NC)CBr BCP13174 [1,0,1,0,0,0|2,0,0]=4 52 B5R0.3 O=C(OC)CBr BCP06456 [1,0,1,0,0,0|1,0,0]=3 53 B5R1.1 C1=CCNC1 BCP09734 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,1,0,0,0|2,0,0]=4 55 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,1,0,0,0|2,0,0]=4 56 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,1,0,0,0|1,0,1]=4 57 B7R0.7 O=C(OCC)C[N+]#[C-] BCP11231 [0,1,1,0,0,0|0,0,1]=3 58 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,1,0,0,0|2,0,0]=4 59 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,1,0,0,0|2,0,0]=4 60 B7R0.4 O=C(O)CCCCO BCP10662 [0,1,1,0,0,0|0,0,0]=2 61 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,1,1,0,0,0|0,0,2]=4 62 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,1,1,0,0,0|2,0,0]=4 63 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,1,1,0,0,0|2,0,0]=4 64 B7R0.8 OP(CCCN)(O)=O BCP08275 [0,1,1,0,0,0|2,0,0]=4 65 B7R1.1 CNC1COCC1 BCP11597 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.1 O=CC1CCCC1 BCP12309 [1,1,0,0,0,0|1,0,1]=4 67 B7R1.1 OCC1CCCC1 BCP29184 [1,1,0,0,0,0|1,0,1]=4 68 B7R1.1 OCC1OCCO1 BCP19203 [1,1,0,0,0,0|1,0,1]=4 69 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [1,1,0,0,0,0|2,0,0]=4 70 B7R1.4 C=C1CCOC1=O BCP18620 [1,1,0,0,0,0|0,0,1]=3 71 B7R1.4 N[C@H]1CCOC1=O BCP20062 [1,1,0,0,0,0|0,0,0]=2 72 B7R1.4 O=C1CCCN1N BCP15282 [1,1,0,0,0,0|1,0,0]=3 73 B7R1.4 O=C1N(N)CCC1 BCP08744 [1,1,0,0,0,0|1,0,0]=3 74 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [1,1,0,0,0,0|0,0,0]=2 75 B7R1.4 OC1CCNC1=O BCP00893 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.1 N#CC1CCC(CC1)=O BCP17260 [0,1,0,0,0,1|1,0,1]=4 77 B9R1.10 CC1(CCC(CC1)=O)C BCP07623 [0,1,0,0,0,1|1,0,0]=3 78 B9R1.10 CC1(OCC(CO1)=O)C BCP18840 [0,1,0,0,0,1|1,0,0]=3 79 B9R1.69 CC1CN(C)CCC1=O BCP06571 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.69 O=C1C(N)CCC(N1)=O BCP16250 [0,1,0,0,0,1|2,0,0]=4 81 B9R1.69 O=C1CCC(C(N1)=O)N BCP05827 [0,1,0,0,0,1|2,0,0]=4 82 B9R1.69 O=C1CCC(C(N1)=O)N BCP13299 [0,1,0,0,0,1|2,0,0]=4 83 B9R1.2 COC=1CCCC(C1)=O BCP12186 [0,1,0,0,0,1|1,0,1]=4 84 B9R1.34 O=C1CC(C)OC(C)C1 BCP20532 [0,1,0,0,0,1|1,0,0]=3 85 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,1,0,0,0,1|1,0,0]=3 86 B9R1.22 O[C]1[C](CO)OC(C1)=O BCP18088 [0,2,0,0,0,0|0,0,2]=4 87 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,2,0,0,0,0|1,0,1]=4 88 B9R1.133 CC1(C)O[C@@H](C=O)CO1 BCP08512 [0,2,0,0,0,0|1,0,1]=4 89 B9R1.37 O[C@@H]1C(O)O[C@@H](C)[C@@H]1O BCP14830 [0,2,0,0,0,0|0,0,2]=4 90 B9R1.138 O=C1OCC(C)(C)[C@@H]1O BCP10328 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,1,1,0,0|2,0,0]=4 92 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,1,1,0,0|2,0,0]=4 93 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,1,1,0,0|1,0,0]=3 94 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,0,1,1,0,0|2,0,0]=4 95 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,1,1,0,0|2,0,0]=4 96 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,1,1,0,0|1,0,0]=3 97 B7R1.18 OB(C1CCC1)O BCP05474 [0,0,1,1,0,0|1,0,1]=4 98 B7R2.13 C12CNCC1C2 BCP14124 [1,0,0,1,0,0|2,0,0]=4 99 B9R2.25 O=C1OC(C2C1C2)=O BCP11186 [0,0,0,1,0,1|1,0,1]=4 100 B9R2.39 O=C1[C@@H]2C[C@@H](C=C2)N1 BCP07500 [0,0,0,1,0,1|1,0,1]=4 101 B5R0.5 CC(C)C(C)O BCP29487 [0,0,1,0,1,0|0,0,2]=4 102 B5R0.5 CC(C)C(N)=N BCP07536 [0,0,1,0,1,0|2,0,0]=4 103 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,1,0,1,0|2,0,0]=4 104 B5R0.5 C[C@@H](N)C(C)C BCP06945 [0,0,1,0,1,0|1,0,1]=4 105 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,0,1,0|0,0,0]=2 106 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,0,1,0|1,0,0]=3 107 B5R1.2 O=C1COC1 BCP05482 [1,0,0,0,1,0|1,0,0]=3 108 B5R1.2 O=C1O[Mg]O1 BCP17142 [1,0,0,0,1,0|2,0,0]=4