0 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.1 CC(C)CCNC(=O)CCl Z56886287 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.1 CCC(=O)NCCN(C)C Z56892420 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [0,1,0,0,0,0|1,0,1]=3 16 B9R0.1 CNC(=O)CCNC(C)C Z1449756290 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.1 COC(=O)CCNC(C)C Z140567588 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.7 CC(=O)NCC(=O)N(C)C Z32014369 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.35 CC(=O)C1=CC=C(O1)C Z94598638 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 CC(=O)C1=COC(=N1)C Z1416198205 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 CC(=O)C1=NC(=CN1)C Z1198180201 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.35 CC(=O)C1=NC=C(S1)C Z1136432109 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.35 CC(=O)C1=NOC(=C1)C Z1255384089 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 CC(C)C1=NNC(=O)C1 Z50146000 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 CC(C)C1CNC(=O)C1 Z1089964728 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.35 CC(C)N1CCC(=O)C1 Z415646352 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,0,0,1,0,0|1,0,2]=4 34 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,1,0|3,0,0]=4 36 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,1,0|2,0,1]=4 37 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,1,0|2,0,0]=3 38 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,1,0|1,0,2]=4 39 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,1,0|2,0,1]=4 40 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,1,0|2,0,1]=4 41 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,1,0|2,0,1]=4 42 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,1,0|2,0,1]=4 43 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,1,0|2,0,1]=4 44 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,1,0|2,0,1]=4 45 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,1,0|2,0,1]=4 46 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,0,0,0,0,1|3,0,0]=4 47 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,0,0,0,0,1|1,0,2]=4 48 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 C=CCNC(=O)C Z32064466 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.4 C=CCNC(=O)N Z56904662 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 C=COCC(C)C Z916978390 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.4 CC(=O)OCCN Z1973465551 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 COCCN(C)C Z5121096537 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.6 CCCCOC(=O)CN Z1266823221 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.6 CCCCOC(=O)OC Z1238573230 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,0,0,0,0|0,0,2]=4 62 B8R0.7 COCCOCC(=O)C Z447894346 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,1,0|0,0,1]=3 66 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,1,0|1,0,0]=3 67 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,1,0|2,0,0]=4 68 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,1,0,0,1,0|0,0,2]=4 69 B10R0.3 CC(=CCC/C(=C/C=O)/C)C Z104478042 [0,2,0,0,0,0|1,0,0]=3 70 B10R0.3 CC(=CCC/C(=C/CO)/C)C Z104473544 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.3 CC(=CCCC(C)CC=O)C Z104497952 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.3 CN(C)CCOC(=O)CC#N Z4327158723 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.82 CN(C)C(=O)CNC(=O)CCl Z147651872 [0,2,0,0,0,0|2,0,0]=4 74 B10R0.82 COC(=O)CCC(=O)C(C)C Z838955646 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.13 CC(=O)NC(C)C(=O)N(C)C Z32014329 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.93 CC(=O)N(C)CC(=O)N(C)C Z255062122 [0,2,0,0,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.19 CC1(CCOC1=O)C Z1255431712 [1,0,0,1,0,0|0,0,2]=4 79 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,0,0,1,1,0|1,0,1]=4 80 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,1,0|2,0,0]=4 81 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,1,0|0,0,2]=4 82 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,1,1,0|1,0,1]=4 83 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,1,0|1,0,1]=4 84 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,1,0|2,0,0]=4 85 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,1,0|2,0,0]=4 86 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,0,0,1,1,0|1,0,1]=4 87 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C Z1255430958 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C Z1255486311 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.13 CC(=O)N1CC=C(CC1)Br Z1999520568 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.302 CC1(CCOC(=O)CC1)C Z1278923571 [0,1,0,1,0,0|0,0,2]=4 92 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,2,0|2,0,0]=4 93 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,2,0|1,0,1]=4 94 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,2,0|1,0,0]=3 95 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,2,0|1,0,0]=3 96 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,2,0|1,0,0]=3 97 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,2,0|1,0,1]=4 98 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,2,0|1,0,1]=4 99 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,2,0|1,0,1]=4 100 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,2,0|2,0,0]=4 101 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,2,0|2,0,0]=4