0 B6R0.5 CCCC(C)(C)O Z449374450 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.4 CCC(C)(C)O Z104473496 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.4 CCS(=O)(=O)N Z54886646 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.4 COS(=O)(=O)C Z133684226 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.4 COS(=O)(=O)N Z300238034 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.3 CS(=O)(=O)O Z281776238 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.3 O=P(O)(O)F Z1255360409 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.8 COP(=O)([S-])OC Z3670332895 [1,1,0,0,0,0|0,1,0]=3 65 B6R0.8 COS(=O)(=O)OC Z104473216 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [0,2,0,0,0,0|0,0,0]=2 67 B8R0.27 CC(O)C(O)P(=O)(O)O Z2050515563 [0,2,0,0,0,0|1,0,0]=3 68 B8R0.12 CCOP(=O)([O-])C(=O)[O-] Z1726084881 [0,2,0,0,0,0|0,0,2]=4 69 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.21 CC1OC1P(=O)([O-])[O-] Z2210710388 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] Z1583387379 [0,1,0,1,0,0|0,0,2]=4