0 B6R1.2 CC1=CC=NO1 BCP11243 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,0,0,0|1,0,1]=2 2 B6R1.2 F[C@@H]1CCNC1 BCP14098 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 IC1COCC1 BCP14190 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 N[C@@H]1COCC1 BCP06180 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,0,0,0|0,0,2]=2 9 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,0,0,0|1,1,0]=2 10 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 OC1COCC1 BCP13266 [0,0,0,0,0,0|2,0,2]=4 12 B6R1.2 O[C@@H]1CNCC1 BCP14826 [0,0,0,0,0,0|2,0,2]=4 13 B6R1.2 O[C@@H]1CNCC1 BCP15469 [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 O[C]1COCC1 BCP04605 [0,0,0,0,0,0|2,0,2]=4 15 B6R1.2 S=C1N=NNC1 BCP09836 [0,0,0,0,0,0|3,1,0]=4 16 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 CCN1CCCC1 BCP07071 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 CC[C]1NCCC1 BCP11727 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 CSC1=NCCS1 BCP14244 [0,1,0,0,0,0|1,2,0]=4 20 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,0,0,0|1,0,1]=3 21 B7R1.1 OCC1CCCC1 BCP29184 [0,1,0,0,0,0|1,0,2]=4 22 B7R1.1 OCC1OCCO1 BCP19203 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,0,0,0|0,0,1]=2 26 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,0,0,0|0,0,0]=1 28 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,0,0,0|0,0,0]=1 31 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,0,0,0|1,0,0]=2 32 B5R0.1 CC(OCCl)=O BCP16170 [0,0,1,0,0,0|1,0,0]=2 33 B5R0.1 NC(SCC)=N BCP20133 [0,0,1,0,0,0|2,1,0]=4 34 B5R0.1 O=C(Cl)CCBr BCP20557 [0,0,1,0,0,0|2,0,0]=3 35 B5R0.1 O=C(Cl)CCCl BCP09962 [0,0,1,0,0,0|2,0,0]=3 36 B5R0.1 OC(CCO)=O BCP05902 [0,0,1,0,0,0|1,0,0]=2 37 B5R0.1 OC(CCS)=O BCP16636 [0,0,1,0,0,0|1,0,0]=2 38 B5R0.1 [S-]C(OCC)=S BCP29024 [0,0,1,0,0,0|1,1,0]=3 39 B5R0.2 C=CCCC=C BCP08456 [0,0,1,0,0,0|2,0,1]=4 40 B5R0.2 ClCCOCC BCP15316 [0,0,1,0,0,0|2,0,1]=4 41 B5R0.2 NCCCCO BCP18612 [0,0,1,0,0,0|1,0,1]=3 42 B5R0.2 O=CCCC=O BCP20105 [0,0,1,0,0,0|0,0,2]=3 43 B5R0.3 O=C(CBr)CC BCP08723 [0,0,1,0,0,0|2,0,0]=3 44 B5R0.3 O=C(NC)CBr BCP13174 [0,0,1,0,0,0|2,0,0]=3 45 B5R0.3 O=C(OC)CBr BCP06456 [0,0,1,0,0,0|1,0,0]=2 46 B5R1.2 FC1CNC1 BCP14095 [0,0,0,0,1,0|2,0,1]=4 47 B5R1.2 IC1COC1 BCP08336 [0,0,0,0,1,0|2,0,1]=4 48 B5R1.2 NC1COC1 BCP07405 [0,0,0,0,1,0|2,0,1]=4 49 B5R1.2 NC1COC1 BCP10369 [0,0,0,0,1,0|2,0,1]=4 50 B5R1.2 O=C1CCO1 BCP07366 [0,0,0,0,1,0|0,0,0]=1 51 B5R1.2 O=C1CNC1 BCP10186 [0,0,0,0,1,0|1,0,0]=2 52 B5R1.2 O=C1COC1 BCP05482 [0,0,0,0,1,0|1,0,0]=2 53 B5R1.2 O=C1O[Mg]O1 BCP17142 [0,0,0,0,1,0|2,0,0]=3 54 B7R1.3 C=C1CCNCC1 BCP15107 [0,0,0,0,0,1|2,0,0]=3 55 B7R1.3 CN1CCNCC1 BCP16944 [0,0,0,0,0,1|3,0,0]=4 56 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,0,0,0,0,1|2,0,1]=4 57 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,0,0,0,0,1|1,0,1]=3 58 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,0,0,0,0,1|2,0,1]=4 59 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,0,0,0,0,1|2,0,1]=4 60 B7R1.3 C[C]1CNCCO1 BCP16612 [0,0,0,0,0,1|1,0,1]=3 61 B7R1.3 IC1CCOCC1 BCP11458 [0,0,0,0,0,1|2,0,1]=4 62 B7R1.3 NC1CCNCC1 BCP01546 [0,0,0,0,0,1|2,0,1]=4 63 B7R1.3 NC1CNCCC1 BCP10242 [0,0,0,0,0,1|2,0,1]=4 64 B7R1.3 N[C]1CNCCC1 BCP08366 [0,0,0,0,0,1|2,0,1]=4 65 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,0,0,1|1,0,0]=2 66 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,0,0,1|1,0,0]=2 67 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,0,0,1|1,0,0]=2 68 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,0,0,1|1,0,2]=4 69 B7R1.3 OC1CCCNC1 BCP05290 [0,0,0,0,0,1|1,0,2]=4 70 B7R1.3 OC1CCOCC1 BCP04889 [0,0,0,0,0,1|1,0,2]=4 71 B7R1.3 OC1CNCCC1 BCP05289 [0,0,0,0,0,1|1,0,2]=4 72 B4R0.1 CC(CBr)=O BCP06577 [1,0,1,0,0,0|1,0,0]=3 73 B4R0.1 C[C@@H](O)CC BCP06774 [1,0,1,0,0,0|0,0,2]=4 74 B4R0.1 O=C(O)CCl BCP20585 [1,0,1,0,0,0|1,0,0]=3 75 B4R0.1 O=CC(O)=O BCP15407 [1,0,1,0,0,0|1,0,1]=4 76 B4R0.1 OC(C#C)=O BCP18740 [1,0,1,0,0,0|0,0,2]=4 77 B4R0.2 ClCCCBr BCP16557 [1,0,1,0,0,0|2,0,0]=4 78 B4R0.2 NCCOC BCP15361 [1,0,1,0,0,0|1,0,1]=4 79 B4R0.2 NOCCO BCP11232 [1,0,1,0,0,0|2,0,0]=4 80 B6R0.1 O=C(C#N)OCC BCP04941 [0,1,1,0,0,0|0,0,1]=3 81 B6R0.1 O=C(C=C)OCC BCP06341 [0,1,1,0,0,0|0,0,1]=3 82 B6R0.1 O=C(OC)CCO BCP16887 [0,1,1,0,0,0|1,0,0]=3 83 B6R0.1 O=C(OC)CCS BCP16637 [0,1,1,0,0,0|1,0,0]=3 84 B6R0.1 O=C(OCC)CBr BCP04940 [0,1,1,0,0,0|0,0,0]=2 85 B6R0.2 CC(C)CC(N)=O BCP05941 [0,1,1,0,0,0|1,0,0]=3 86 B6R0.2 CC(C)NC(C)=O BCP19527 [0,1,1,0,0,0|1,0,0]=3 87 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,1,1,0,0,0|1,0,1]=4 88 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,1,1,0,0,0|0,0,1]=3 89 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,1,1,0,0,0|1,0,1]=4 90 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,1,1,0,0,0|0,0,0]=2 91 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,1,1,0,0,0|0,0,0]=2 92 B6R0.2 OB(CC(C)C)O BCP12813 [0,1,1,0,0,0|1,0,1]=4 93 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,1,1,0,0,0|1,0,1]=4 94 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,1,1,0,0,0|0,0,0]=2 95 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,1,1,0,0,0|0,0,1]=3 96 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,1,1,0,0,0|0,0,0]=2 97 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,1,1,0,0,0|0,0,2]=4 98 B6R0.3 NC(CC)C(N)=O BCP08675 [0,1,1,0,0,0|1,0,0]=3 99 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [0,1,1,0,0,0|2,0,0]=4 100 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,1,1,0,0,0|1,0,1]=4 101 B6R0.4 CCCCC(N)=N BCP11276 [0,1,1,0,0,0|2,0,0]=4 102 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,1,1,0,0,0|0,0,2]=4 103 B6R0.4 OC(CSCC)=O BCP05241 [0,1,1,0,0,0|0,0,0]=2 104 B6R0.5 NS(CCC)(=O)=O BCP20038 [0,1,1,0,0,0|1,0,1]=4 105 B6R0.6 C=CCCCCO BCP03575 [0,1,1,0,0,0|1,0,0]=3 106 B6R0.6 C=COCCON BCP14665 [0,1,1,0,0,0|2,0,0]=4 107 B6R0.6 CCCCCCO BCP29486 [0,1,1,0,0,0|1,0,1]=4 108 B6R0.6 COCCCCCl BCP14187 [0,1,1,0,0,0|1,0,1]=4 109 B6R0.6 O=CCCCCO BCP10790 [0,1,1,0,0,0|0,0,0]=2 110 B6R0.6 OCCCCOC BCP22070 [0,1,1,0,0,0|0,0,2]=4 111 B6R0.9 CCN(N=O)CC BCP19136 [0,1,1,0,0,0|2,0,0]=4 112 B6R1.5 OC1CN(C)C1 BCP20498 [0,1,0,0,1,0|2,0,0]=4 113 B6R1.6 BrCC1CCC1 BCP18414 [0,1,0,0,1,0|1,0,1]=4 114 B6R1.6 OCC1CCC1 BCP17767 [0,1,0,0,1,0|0,0,2]=4 115 B6R1.10 NC1(C)CCC1 BCP13870 [0,1,0,0,1,0|1,0,1]=4 116 B8R1.2 NCC1COCCO1 BCP11610 [0,1,0,0,0,1|1,0,1]=4 117 B8R1.2 O=CC1CCOCC1 BCP12387 [0,1,0,0,0,1|1,0,1]=4 118 B8R1.2 O=CN1CCCCC1 BCP20086 [0,1,0,0,0,1|2,0,0]=4 119 B8R1.2 OC[C]1CNCCO1 BCP14953 [0,1,0,0,0,1|0,0,2]=4 120 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,0,0,1|1,0,0]=3 121 B8R1.3 O=C1NCC(NC1)=O BCP20475 [0,1,0,0,0,1|1,0,1]=4 122 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,1,0,0,0,1|1,0,0]=3 123 B8R1.4 C[C@@H]1O[C](C)CNC1 BCP10396 [0,1,0,0,0,1|1,0,1]=4 124 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,0,0,1|1,0,0]=3 125 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,0,0,1|1,0,0]=3 126 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,1,0,0,0,1|1,0,0]=3 127 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,0,0,1|1,0,0]=3 128 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,0,0,1|0,0,0]=2 129 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,0,0,1|1,0,0]=3 130 B8R1.72 CC1(C)CNCCO1 BCP14464 [0,1,0,0,0,1|1,0,1]=4 131 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,1,0,0,0,1|1,0,0]=3 132 B8R1.72 O=S1(CCNCC1)=O BCP14326 [0,1,0,0,0,1|2,0,0]=4 133 B8R1.7 CC(C1=NCCS1)=O BCP17112 [0,2,0,0,0,0|1,1,0]=4 134 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [0,2,0,0,0,0|1,0,1]=4 135 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.50 O=C1CCC(N1Br)=O BCP15478 [0,2,0,0,0,0|1,0,1]=4 137 B8R1.50 O=C1CCC(N1I)=O BCP18538 [0,2,0,0,0,0|1,0,1]=4 138 B6R1.1 O1CCC=CC1 BCP23557 [0,0,1,1,0,0|1,0,1]=4 139 B8R2.34 C12CC(CO1)NC2 BCP15814 [0,0,0,1,0,1|1,0,1]=4 140 B8R2.34 [C]12CN[C@@H](C1)CO2 BCP13038 [0,0,0,1,0,1|1,0,1]=4