0 B8R0.6 COC(=O)CCN=[N+]=[N-] A2Z00096043 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C(CCCO)CCN A2Z00096548 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.3 CCCNC(=O)CCl A2Z00038430 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.3 COC(=O)CCCCl A2Z00098035 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.3 COCCC(=O)OC A2Z00094834 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(=O)CCCC#N A2Z00097349 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 CC(=O)NCCC#N A2Z00061540 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CC(=O)NCCCN A2Z00047088 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CC(=O)NCCCO A2Z00061529 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CC(=O)NCCON A2Z00048058 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CC(C)CCCCN A2Z00049525 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CC(C)CCCNC A2Z00049564 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.1 C(CC(=O)CN)CC(=O)O A2Z00050332 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.1 COC(=O)CCCC(=O)Cl A2Z00094387 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.1 COC(=O)CCC[N+](=O)[O-] A2Z00096316 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.5 COCCNC(=O)CC#N A2Z00080212 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.24 COC(=O)CCC(=O)CBr A2Z00049450 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.24 COC(=O)CCC(=O)CN A2Z00096232 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.34 CCOC(=O)CC(=O)CCl A2Z00093563 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.47 CC(C(=O)NCCCO)Cl A2Z00094388 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.50 CCN(CC)CCCCN A2Z00061147 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.1 CNC1CCN(CC1)C A2Z00093528 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.11 C1CCN(C1)C(=O)CCl A2Z00046081 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.11 COC(=O)C1CCCN1 A2Z00096650 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.11 COC(=O)C1CCNC1 A2Z00096294 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.79 COC(=O)CC1COC1 A2Z00096410 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.88 COC(=O)C1CC1CN A2Z00096461 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN A2Z00096361 [0,0,0,1,0,0|2,0,0]=3 31 B6R0.6 CCCCCCBr A2Z00093564 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.6 CCCCCCI A2Z00093584 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.6 CCCCCCO A2Z00093499 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.6 COCCCCN A2Z00047139 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.1 CCOC(=O)CBr A2Z00093566 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 COC(=O)CCS A2Z00096087 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CC(=O)CCCCl A2Z00094593 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 CC(=O)OCCBr A2Z00098196 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 CCCCOCCCN A2Z00093532 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.4 COCCCNCCO A2Z00070007 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.8 CC(C(=O)NCCO)Cl A2Z00094592 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [1,1,0,0,0,0|2,0,0]=4 46 B10R0.59 CCC(=O)CCCC(=O)OC A2Z00049607 [0,2,0,0,0,0|0,0,1]=3 47 B10R0.1 CCCCCNC(=O)CCC A2Z00098085 [0,2,0,0,0,0|0,0,0]=2 48 B10R0.1 CCCNCCC(=O)OCC A2Z00098000 [0,2,0,0,0,0|0,0,0]=2 49 B10R0.1 CCOC(=O)CCCN=[N+]=[N-] A2Z00096594 [0,2,0,0,0,0|2,0,0]=4 50 B10R0.2 CCOC(=O)CC(CC#N)O A2Z00096709 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.6 CC(=O)CC(=O)OCCOC A2Z00093557 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.41 CCN(CC)CCCCCN A2Z00061194 [0,2,0,0,0,0|2,0,0]=4 53 B10R0.74 CCCCCCCC(=O)NN A2Z00014682 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.74 CCCCCCOC(=O)CCl A2Z00070357 [0,2,0,0,0,0|1,0,0]=3 55 B10R0.5 CC(C)(C(=O)NCCCO)Br A2Z00094391 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.2 C1COCCC1CO A2Z00094827 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 CCC1CCCCN1 A2Z00093507 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.22 CC1CCCNCC1 A2Z00096454 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.3 CC1CCC(CC1)O A2Z00093509 [1,0,0,1,0,0|0,0,2]=4 62 B8R1.40 C1CC1NC(=O)CN A2Z00044968 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 CC1CCCC(C1)O A2Z00093510 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.4 CC1CCCC(N1)C A2Z00093508 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.35 C1CC1NCC(=O)N A2Z00049171 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.15 C1CCC(CC1)C(=O)NN A2Z00094628 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.15 C1CCN(CC1)C(=O)CN A2Z00044969 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.15 C1COCCN1C(=O)CCl A2Z00097873 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.15 CCC(=O)C1CCNCC1 A2Z00096433 [0,1,0,1,0,0|0,0,0]=2 72 B10R1.15 CCC(=O)N1CCNCC1 A2Z00094178 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.15 CCC(C1CCNCC1)O A2Z00095969 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.15 CNC(=O)C1CCNCC1 A2Z00094629 [0,1,0,1,0,0|1,0,0]=3 75 B10R1.95 C1CS(=O)(=O)CC1CCCl A2Z00048043 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.95 CCNC1CCS(=O)(=O)C1 A2Z00061326 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.27 COC(=O)CC1OCCO1 A2Z00096389 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.23 C[C@@H](C(=O)N1CCCC1)N A2Z00095271 [0,1,0,1,0,0|1,0,0]=3