0 B5R0.1 CC(C)CCBr A2Z00093551 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(CNN)O A2Z00062183 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CN(C)CCCl A2Z00093594 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(C)CBr A2Z00038648 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 C[C@@H](CO)N A2Z00045067 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 CCCCBr A2Z00093542 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.2 CCCCN A2Z00093484 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.2 CNCCCl A2Z00094137 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.2 CC(=C[N+](=O)[O-])C A2Z00094964 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.2 C\C(=C\[N+](=O)[O-])\[O-] A2Z00050356 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 CC(C(=O)NC)N A2Z00049855 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 CC(C)C(=O)CO A2Z00049695 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.3 CC(C)C(C#N)N A2Z00094740 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.4 CC(C)CN=C=O A2Z00046534 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.4 CC(C)OCCN A2Z00047141 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.4 CCCNC(C)C A2Z00048056 [0,1,0,0,0,0|0,0,2]=3 20 B6R0.4 CN(C)CCCCl A2Z00093595 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.5 CC(C)(C)CCCl A2Z00094836 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.5 CC(C)(C)CNC A2Z00049170 [0,1,0,0,0,0|1,0,1]=3 23 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.2 C1CCC(C1)N A2Z00093486 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.2 C1CCC(C1)O A2Z00093488 [0,0,0,1,0,0|1,0,2]=4 26 B6R1.3 C1CC1N=C=O A2Z00046533 [0,0,0,1,0,0|2,0,1]=4 27 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,0]=3 28 B3R0.1 CCCBr A2Z00093521 [2,0,0,0,0,0|1,0,1]=4 29 B3R0.1 CCCN A2Z00093482 [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.2 CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,0]=3 32 B3R0.2 CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 COC(=O)C=C A2Z00093487 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.4 CC(C)(C#N)Br A2Z00049743 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.4 CC(C)(C#N)N A2Z00095432 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.4 CC(C)(CN)O A2Z00045066 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.2 CCCCCBr A2Z00093550 [1,1,0,0,0,0|0,0,2]=4 42 B5R0.2 CCCCNC A2Z00093457 [1,1,0,0,0,0|0,0,2]=4 43 B5R0.2 CCNCC=C A2Z00070010 [1,1,0,0,0,0|0,0,2]=4 44 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,2,0,0,0,0|1,0,0]=3 45 B7R0.2 CC(CN(C)C)CO A2Z00097647 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.3 CC(CO)NCCO A2Z00049562 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.5 CC(C)C(CCN)O A2Z00049172 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.10 COC(=O)C(CO)N A2Z00085507 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.10 COC(=O)C(CS)N A2Z00096121 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.11 CC(C)(CN)COC A2Z00096012 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.11 CC(C)(COC)C#N A2Z00096011 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.9 CC(C)(CN(C)C)O A2Z00048057 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.16 BN(C(C)C)C(C)C A2Z00095533 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.14 CC(C)(C(=O)OC)N A2Z00050180 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.4 CC(C)CCCCN A2Z00049525 [0,2,0,0,0,0|0,0,2]=4 62 B7R0.4 CC(C)CCCNC A2Z00049564 [0,2,0,0,0,0|0,0,2]=4 63 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.6 CN(C)\C=C\C(=S)N A2Z00057018 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.6 CN(C)\C=C\[N+](=O)[O-] A2Z00096569 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.8 CC(C)(C)CCCN A2Z00047846 [0,2,0,0,0,0|0,0,2]=4 69 B5R1.1 C1CCNC1 A2Z00093483 [1,0,0,1,0,0|1,0,1]=4 70 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.1 C1CC(OC1)CCl A2Z00093513 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.1 C1CC(OC1)CN A2Z00093497 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.1 C1CC(OC1)CO A2Z00093498 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.1 C1CCC(C1)CN A2Z00046187 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.1 CCC1CCCN1 A2Z00094741 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.1 COC1CCNC1 A2Z00074154 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,1,0,0|0,0,1]=3 79 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.3 CC1CCCNC1 A2Z00093496 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.3 CC1CCNCC1 A2Z00093494 [0,1,0,1,0,0|0,0,2]=4 83 B7R1.3 CC1CNCCO1 A2Z00047116 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.3 CC1COCCN1 A2Z00047114 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.7 C1CC1NCCO A2Z00070038 [0,1,0,1,0,0|1,0,1]=4 86 B7R2.13 C1C2C1CNC2 A2Z00050358 [0,0,0,2,0,0|1,0,1]=4