0 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 C=CCSCC(=O)O A2Z00097871 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.4 CC(=O)NCCC#N A2Z00061540 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 CC(=O)NCCON A2Z00048058 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 CC(C)CCCCN A2Z00049525 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CC(C)CCCNC A2Z00049564 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CSCCCC(=O)O A2Z00070144 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 CC(=O)OCC#C A2Z00096305 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CCCNC(C)C A2Z00048056 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CN(C)CCCCl A2Z00093595 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 CCCCCCBr A2Z00093564 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.6 CCCCCCI A2Z00093584 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.6 CCCCCCO A2Z00093499 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.6 COCCCCN A2Z00047139 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 COCCN=C=O A2Z00046536 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.6 COC(=O)CCN=[N+]=[N-] A2Z00096043 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.7 CC(=O)NCCCCN A2Z00047089 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.7 CC(=O)NCCCCO A2Z00047993 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.7 CCCCCCC(=O)O A2Z00093531 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.7 CCCNCCC(=O)O A2Z00070008 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.7 CCCNCCC(=O)O A2Z00070304 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.7 CN(C)CCNCCO A2Z00061310 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.8 CC(C(=O)O)OCCN A2Z00070299 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.21 C(CCCl)CS(=O)(=O)Cl A2Z00047015 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.21 CS(=O)(=O)NCCCCl A2Z00047995 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(C)CNCC(C)C A2Z00093471 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.28 CC(CNCC(C)Cl)Cl A2Z00048268 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,0,0,1,0,0|0,0,2]=3 44 B8R1.4 CC1CCCC(N1)C A2Z00093508 [0,0,0,1,0,0|1,0,1]=3 45 B8R1.4 CC1CNCC(O1)C A2Z00093443 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.4 CC1COCC(N1)C A2Z00047115 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.22 CC1CCCNCC1 A2Z00096454 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.35 C1CC1NCC(=O)N A2Z00049171 [0,0,0,1,0,0|2,0,0]=3 52 B5R0.1 C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 COCC(=O)Cl A2Z00094312 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 C(CCN)CN A2Z00070215 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 CCCCCBr A2Z00093550 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.2 CCCCNC A2Z00093457 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.2 CCNCC=C A2Z00070010 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.3 CCCNC(=O)CCl A2Z00038430 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.3 COC(=O)CCCCl A2Z00098035 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.3 COCCC(=O)OC A2Z00094834 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.1 C(CCCO)CCN A2Z00096548 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.34 CCOC(=O)CC(=O)CCl A2Z00093563 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.53 CC(C)CC(CC(=O)O)O A2Z00049177 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.58 CCCC(C)(CC(=O)O)O A2Z00049563 [0,2,0,0,0,0|1,0,0]=3 75 B9R0.1 C(CC(=O)CN)CC(=O)O A2Z00050332 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.1 COC(=O)CCCC(=O)Cl A2Z00094387 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.1 COC(=O)CCC[N+](=O)[O-] A2Z00096316 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.5 COCCNC(=O)CC#N A2Z00080212 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.24 COC(=O)CCC(=O)CBr A2Z00049450 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.24 COC(=O)CCC(=O)CN A2Z00096232 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.47 CC(C(=O)NCCCO)Cl A2Z00094388 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.2 C(CNCCC(=O)O)C#N A2Z00070037 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.2 CCCNCCCN(C)C A2Z00048062 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.38 COCCCNS(=O)(=O)C A2Z00070443 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.42 CC(=O)C(CC(=O)OC)Br A2Z00094754 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.42 CCC(=O)CC(C(=O)O)N A2Z00096363 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.43 CC(=O)NCC(OC)OC A2Z00094393 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.56 CS(=O)(=O)CCCC(=O)O A2Z00070145 [0,2,0,0,0,0|2,0,0]=4 89 B7R1.2 C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,0,0,1,0,0|0,0,2]=4 91 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [1,0,0,1,0,0|0,0,2]=4 94 B7R1.3 C1CCC(CC1)N A2Z00093495 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.3 C1COCCC1=O A2Z00096060 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 C1CSCCC1=O A2Z00050190 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.1 C1CCC(C1)CN A2Z00046187 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.1 CCC1CCCN1 A2Z00094741 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.1 COC1CCNC1 A2Z00074154 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.6 C1CC(C1)N=C=O A2Z00049542 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.24 C1CCCNCC1 A2Z00093493 [1,0,0,1,0,0|1,0,0]=3 102 B9R1.13 C1COC(O1)CC(=O)O A2Z00096436 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.66 CC1(COCC(=O)N1)C A2Z00046113 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.171 C1C(CO1)(CC(=O)N)N A2Z00096374 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.11 C1CCN(C1)C(=O)CCl A2Z00046081 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.11 COC(=O)C1CCCN1 A2Z00096650 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.11 COC(=O)C1CCNC1 A2Z00096294 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.79 COC(=O)CC1COC1 A2Z00096410 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.88 COC(=O)C1CC1CN A2Z00096461 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN A2Z00096361 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.6 C1CCC(CC1)C(=O)O A2Z00093527 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.6 C1CNCCC1C(=O)O A2Z00093530 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.6 CC(=O)C1CCNCC1 A2Z00096432 [0,1,0,1,0,0|0,0,0]=2 114 B9R1.6 CC(C1CCNCC1)O A2Z00095925 [0,1,0,1,0,0|0,0,2]=4 115 B9R1.125 CC1(CC(=O)NC1)CO A2Z00050495 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.19 C1CCC(C1)S(=O)(=O)Cl A2Z00046189 [0,1,0,1,0,0|2,0,0]=4 117 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [0,0,0,2,0,0|1,0,0]=3