0 B6R0.1 O=C(OC)CCO BCP16887 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 O=C(OC)CCS BCP16637 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.1 OC[C@@H](C)COC BCP11697 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(C)N=C=O BCP15287 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 CN(CCBr)C BCP20000 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 C[C@@H](N)CCO BCP01279 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 C[C@@H](N)COC BCP19342 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 NNCC(C)C BCP06610 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 ClCCOCC BCP15316 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.2 NCCCCO BCP18612 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.3 C(C(CN)O)N BCP18704 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.3 C(C(CO)N)O BCP04588 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 CC[C](N)CO BCP16938 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.3 NCC(CO)O BCP18703 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 O=C(CBr)CC BCP08723 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 SC(CS)CO BCP18145 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.2 CC(CN(C)C)CCl BCP09620 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.2 CC(N)CC(C)CC BCP07039 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.2 CC(N)CC(C)CC BCP18792 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.10 NCC(C)[C@@H](CO)N BCP14692 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.12 CCN(CC)CCS BCP11871 [0,1,0,0,0,0|1,1,0]=3 26 B7R0.12 COC(OC)CSC BCP20569 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 CCN1CCCC1 BCP07071 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.1 CC[C]1NCCC1 BCP11727 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 CNC1COCC1 BCP11597 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.1 O=CC1CCCC1 BCP12309 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.1 OCC1CCCC1 BCP29184 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.1 OC[C]1CNCC1 BCP20711 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 C=C1CCNCC1 BCP15107 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 CN1CCNCC1 BCP16944 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 IC1CCOCC1 BCP11458 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.3 NC1CCNCC1 BCP01546 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 NC1CNCCC1 BCP10242 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.3 OC1CCCNC1 BCP05290 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 OC1CCOCC1 BCP04889 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.3 OC1CNCCC1 BCP05289 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.22 O=C(C1OC1)OC BCP18462 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.22 O=C(OC)[C@@H]1CO1 BCP07553 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.22 O=C([C@@H]1OC1)OC BCP16542 [0,0,0,1,0,0|2,0,1]=4 55 B4R0.1 CC(C)[Mg]Cl BCP10965 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(O)C#C BCP05896 [2,0,0,0,0,0|0,0,2]=4 57 B4R0.1 CC(O)CN BCP08083 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 CN(C)NC BCP16365 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 C[C@@H](O)C#C BCP15480 [2,0,0,0,0,0|0,0,2]=4 60 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|0,0,0]=2 61 B4R0.1 C[C@H](N)CN BCP05857 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 C[C](N)CO BCP13388 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 FC(F)CO BCP05861 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 CC#CCO BCP07121 [2,0,0,0,0,0|0,0,2]=4 65 B4R0.2 CSCCN BCP16561 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 ClCCCBr BCP16557 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 NCCOC BCP15361 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 NOCCO BCP11232 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|0,0,2]=4 70 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.2 OB(CC(C)C)O BCP12813 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.4 BrCCCN(C)C BCP18662 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.4 CC(C)CCCO BCP06801 [1,1,0,0,0,0|0,0,0]=2 75 B6R0.5 NC(CCO)(C)C BCP10686 [1,1,0,0,0,0|0,0,0]=2 76 B6R0.6 BrCCNCCBr BCP08331 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.6 C=CCCCCO BCP03575 [1,1,0,0,0,0|0,0,1]=3 78 B6R0.6 CCCCCCO BCP29486 [1,1,0,0,0,0|0,0,0]=2 79 B6R0.6 COCCCCCl BCP14187 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.6 O=CCCCCO BCP10790 [1,1,0,0,0,0|0,0,1]=3 81 B6R0.6 OCCCCOC BCP22070 [1,1,0,0,0,0|0,0,0]=2 82 B6R0.8 CC(CO)(C)CN BCP16960 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.8 OCC(C)(C)CBr BCP17392 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.9 CCN(CC)CC BCP07310 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.9 CCN(CC)CC BCP16967 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.9 CCN(N=O)CC BCP19136 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.9 CCP(CC)CC BCP04420 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.9 OCC(CO)CO BCP14986 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.9 OCP(CO)CO BCP07227 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,2,0,0,0,0|1,0,1]=4 91 B8R0.1 C#CCCC(=O)CCO BCP18051 [0,2,0,0,0,0|1,0,1]=4 92 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.2 F[C@@H]1CCNC1 BCP14098 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.2 IC1COCC1 BCP14190 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.2 N[C@@H]1COCC1 BCP06180 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.2 OC1COCC1 BCP13266 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.2 O[C@@H]1CNCC1 BCP14826 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.2 O[C@@H]1CNCC1 BCP15469 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.2 O[C]1COCC1 BCP04605 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.5 OC1CN(C)C1 BCP20498 [1,0,0,1,0,0|1,0,0]=3 102 B6R1.10 NC1(C)CCC1 BCP13870 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.1 C1CCCCC1 BCP08072 [1,0,0,1,0,0|1,0,0]=3 104 B6R1.1 C1COCCN1 BCP24054 [1,0,0,1,0,0|1,0,0]=3 105 B6R1.1 C1COCCO1 BCP16201 [1,0,0,1,0,0|1,0,0]=3 106 B6R1.1 N1CCCCC1 BCP15342 [1,0,0,1,0,0|1,0,0]=3 107 B6R1.1 O1CCC=CC1 BCP23557 [1,0,0,1,0,0|0,0,2]=4 108 B6R1.6 BrCC1CCC1 BCP18414 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.6 OCC1CCC1 BCP17767 [1,0,0,1,0,0|0,0,0]=2 110 B8R1.1 OC1CN(CC)CC1 BCP11284 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.4 C[C@@H]1CN(C)CCN1 BCP14054 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,1,0,1,0,0|0,0,1]=3 114 B8R1.51 C1CC(CC1N)(F)F BCP10234 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.2 BrCC1CCCCC1 BCP14928 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.2 ClCC1CCNCC1 BCP19802 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.2 N#CC1CCCCC1 BCP15736 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.2 NCC1CCOCC1 BCP04866 [0,1,0,1,0,0|0,0,0]=2 119 B8R1.2 NCC1COCCO1 BCP11610 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.2 O=CC1CCOCC1 BCP12387 [0,1,0,1,0,0|0,0,1]=3 121 B8R1.2 OC[C@@H]1CCCNC1 BCP11184 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.3 CN1CCC(CC1)Cl BCP05291 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.3 CN1CCC(N)CC1 BCP05286 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.3 NC1CCC(O)CC1 BCP06182 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.3 N[C]1CC[C](C)CC1 BCP10473 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,1,0,0|0,0,2]=4 127 B8R1.3 OC1CCN(C)CC1 BCP05292 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.5 C[C@@H]1N(C)CCNC1 BCP14030 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 BCP16536 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.52 OC1(CC)CCCC1 BCP15324 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.7 CN([C@H]1CCNC1)C BCP10040 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.72 OC1(O)CCNCC1 BCP04712 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.82 N#CCC1(CO)CC1 BCP12563 [0,1,0,1,0,0|1,0,1]=4 136 B8R2.34 C12CC(CO1)NC2 BCP15814 [0,0,0,2,0,0|1,0,0]=3 137 B8R2.34 [C]12CN[C@@H](C1)CO2 BCP13038 [0,0,0,2,0,0|1,0,1]=4