0 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 BrCCCN(C)C BCP18662 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CC(C)CCCO BCP06801 [1,0,0,0,0,0|0,0,1]=2 4 B6R0.4 CCCCC(N)=N BCP11276 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 OC(CSCC)=O BCP05241 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.3 NC1CCC(O)CC1 BCP06182 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.3 OC1CCN(C)CC1 BCP05292 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,0,0,1,0,0|1,0,1]=3 20 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.77 CC1(C[C]1C(N)=O)C BCP16588 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,0,0,1,0,0|2,0,0]=3 25 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,1,0|1,0,0]=2 26 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,0,0,1,0|2,0,0]=3 27 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,0,0,0,1,0|2,0,1]=4 28 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,1,0|1,0,0]=2 29 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,1,0|1,0,0]=2 30 B6R0.2 OB(CC(C)C)O BCP12813 [0,0,0,0,1,0|1,0,1]=3 31 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,0,0,0,1,0|2,0,1]=4 32 B8R0.28 CC(N)CCCC(C)C BCP18780 [0,0,0,0,0,1|2,0,1]=4 33 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,0,0,0,0,1|1,0,1]=3 34 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,0,0,0,0,1|1,0,1]=3 35 B5R0.1 CC(C)N=C=O BCP15287 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CN(CCBr)C BCP20000 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 C[C@@H](N)CCO BCP01279 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 NNCC(C)C BCP06610 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.2 NCCCCO BCP18612 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.2 O=CCCC=O BCP20105 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [1,1,0,0,0,0|0,0,0]=2 46 B7R0.4 O=C(O)CCCCO BCP10662 [1,1,0,0,0,0|0,0,0]=2 47 B7R0.4 OC(\C=C\OCC)=O BCP05609 [1,1,0,0,0,0|0,0,2]=4 48 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,1,0,0,0,0|0,0,2]=4 51 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.8 C[Si](C)(C)C\C=C\O BCP10915 [1,1,0,0,0,0|0,1,1]=4 55 B7R0.8 OP(CCCN)(O)=O BCP08275 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.9 CC(C)CS(=O)(Cl)=O BCP07920 [0,1,0,0,1,0|1,0,1]=4 57 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,1,0|0,0,0]=2 58 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,1,0|1,0,0]=3 59 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,1,0|0,0,2]=4 60 B9R0.7 O=C(C(S)C)NCC(O)=O BCP13354 [0,1,0,0,0,1|1,0,1]=4 61 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,1,0,0,0,1|0,0,0]=2 62 B9R0.56 C[N+](C)(C)NCCC([O-])=O BCP04503 [0,1,0,0,0,1|1,0,1]=4 63 B9R0.24 O=C(OC)CCC(CN)=O BCP08124 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.42 O=C(C(C)C)CC(OC)=O BCP13418 [0,2,0,0,0,0|0,0,1]=3 65 B9R0.48 O=C(CC#N)OCC(C)C BCP12770 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.79 CC(C)[C@@H](O)[C](N)C(O)=O BCP09537 [0,2,0,0,0,0|0,0,1]=3 67 B9R0.79 N[C@@H](C(O)=O)[C@@H](O)C(C)C BCP09538 [0,2,0,0,0,0|0,0,0]=2 68 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 O=C1CCNCC1 BCP15157 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 O=C1CCSCC1 BCP09565 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 O=C1NCCCC1 BCP00878 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.18 O=C(C1CNC1)O BCP07094 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.18 OB(C1CCC1)O BCP05474 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.20 O=C(O)CC1CC1 BCP05386 [1,0,0,1,0,0|0,0,0]=2 79 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,1,0,1|1,0,0]=3 80 B9R1.35 O=C(O)[C]1C[C@H](CN1)O BCP16291 [0,0,0,1,0,1|1,0,1]=4 81 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP14276 [0,0,0,1,0,1|1,0,1]=4 82 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP21137 [0,0,0,1,0,1|1,0,1]=4 83 B9R1.35 O[C@@H]1C[C](C(O)=O)NC1 BCP10481 [0,0,0,1,0,1|1,0,1]=4 84 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,0,0,1,0,1|1,0,0]=3 85 B9R1.1 N#CC1CCC(CC1)=O BCP17260 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.10 CC1(CCC(CC1)=O)C BCP07623 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.10 CC1(OCC(CO1)=O)C BCP18840 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.69 CC1CN(C)CCC1=O BCP06571 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.82 O=C(OC)C1CC(C1)=O BCP17549 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.82 OC1CC(C(OC)=O)C1 BCP07352 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.133 CC1(C)O[C@@H](C=O)CO1 BCP08512 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.138 O=C1OCC(C)(C)[C@@H]1O BCP10328 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,1,0,1,0,0|0,0,0]=2 94 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,1,0,1,0,0|0,0,0]=2 95 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,1,0,1,0,0|0,0,1]=3 96 B9R1.152 [18F][C@H]1C[C@@](N)(C(O)=O)C1 BCP24384 [0,1,0,1,0,0|1,0,0]=3 97 B5R0.5 CC(C)C(C)O BCP29487 [0,0,0,0,2,0|1,0,1]=4 98 B5R0.5 CC(C)C(N)=N BCP07536 [0,0,0,0,2,0|2,0,0]=4 99 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,0,0,2,0|1,0,0]=3 100 B5R0.5 C[C](Cl)C(O)=O BCP11281 [0,0,0,0,2,0|1,0,1]=4