0 B9R1.132 CCC1=C(C(=NN1)N)Br Z1318147484 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.132 CCC1=C(C(=NN1)N)C Z1266823277 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.132 CCC1=C(C(=O)NC1)C Z1203731042 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.132 N#CC1=C(C(=O)NC1)O Z1203748523 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 CCC1=NNC(=C1)N Z360168062 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 CCC1=NOC(=C1)N Z360168622 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 COC1=CC(=O)CC1 Z871868704 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.11 CCC1=CSC=C1N Z4935394961 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.11 CCC1=NSC=C1N Z5711193458 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.11 CCC1CCCC1=O Z813018310 [1,0,0,0,0,0|0,0,3]=4 25 B8R1.11 CCC1CCNC1=O Z1203732458 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.11 CCN1CCCC1=O Z1255438420 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.11 CCN1CCNC1=O Z1179328150 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.50 CC1=C(C(=O)NN1)N Z2205958785 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.50 CC1=NNC(=C1O)C Z1255485863 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.50 CC1C(=O)CCC1=O Z104503660 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.50 O=C1CCC(=O)N1O Z56933833 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.257 CCC1=C(C(=NO1)C)CO Z1725998736 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,0,1,0,0,0|1,0,2]=4 39 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,0,1,0,0,0|1,0,2]=4 40 B8R0.6 CCCCCC(=O)NO Z59181978 [0,0,1,0,0,0|1,0,1]=3 41 B10R2.32 O=C1CCC2=C1C=CS2 Z57085550 [0,0,0,1,0,0|2,0,1]=4 42 B10R2.32 O=C1CCC2=CNC=C12 Z1198165845 [0,0,0,1,0,0|2,0,1]=4 43 B10R2.32 O=C1NC[C@H]2[C@@H]1OCC2 Z2309776372 [0,0,0,1,0,0|1,0,2]=4 44 B10R1.2 CCC1=C(C(=CC=C1)N)O Z2895200771 [0,0,0,0,0,1|1,0,2]=4 45 B10R1.2 CCC1=C(C(=O)C=CO1)O Z1255465165 [0,0,0,0,0,1|0,0,2]=3 46 B10R1.2 O=C1C=COC(=C1O)CO Z1513596409 [0,0,0,0,0,1|1,0,2]=4 47 B10R1.25 CC1=C(CCC(=O)N1)C#N Z1201620739 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.25 CCC1=C(C=C(C=C1)C)O Z1198181015 [0,0,0,0,0,1|1,0,2]=4 49 B10R1.25 CCC1=C(C=C(C=C1)O)O Z104499414 [0,0,0,0,0,1|0,0,3]=4 50 B10R1.25 CCN1CCC(=O)CC1C Z825755284 [0,0,0,0,0,1|2,0,1]=4 51 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,0,1,0,0,0|1,0,0]=3 52 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,0,1,0,0,0|0,0,1]=3 55 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.3 CCCCC(=O)CC Z406378226 [1,0,1,0,0,0|0,0,2]=4 58 B7R0.3 CCCNC(=O)CC Z33030426 [1,0,1,0,0,0|1,0,1]=4 59 B7R0.3 NCCCC(=O)NO Z3488307998 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,1,0,0,0|0,0,2]=4 61 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|0,0,1]=3 62 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|1,0,1]=4 63 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|1,0,0]=3 68 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|1,0,0]=3 69 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,1]=4 74 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,1,0,0,0|1,0,1]=4 78 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,1,0,0,0|1,0,1]=4 79 B7R1.1 CCC1=CC=CO1 Z640169748 [2,0,0,0,0,0|1,0,1]=4 80 B7R1.1 CCC1=NNC=C1 Z1238571110 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.1 NCC1C=CCC1 Z2768196818 [2,0,0,0,0,0|1,0,1]=4 82 B7R1.2 CC1=CC(=O)NO1 Z56761467 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.2 CC1CCC(=O)N1 Z1250132456 [2,0,0,0,0,0|1,0,1]=4 84 B7R1.2 CC1CCC(=O)O1 Z963595138 [2,0,0,0,0,0|1,0,1]=4 85 B7R1.2 CN1CCC(=O)C1 Z415646350 [2,0,0,0,0,0|1,0,1]=4 86 B7R1.2 CN1CCC(=O)N1 Z1618125551 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [2,0,0,0,0,0|1,0,0]=3 88 B7R1.2 O=C1CCC(=O)N1 Z57127349 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.2 O=C1CCC(=O)O1 Z57127506 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,1,1,0,0,0|1,0,1]=4 91 B9R0.46 C=CC(=O)OCCNCC Z5030116647 [0,1,1,0,0,0|2,0,0]=4 92 B9R1.7 CCCC1=CC(=O)NN1 Z2583036240 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.7 NCCC1=CC(=O)NN1 Z1483956795 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.21 CCC1=CC(=NO1)C=O Z1255421513 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.21 CCC1=NOC(=C1)C=O Z1201627025 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [1,1,0,0,0,0|1,0,1]=4 98 B9R1.35 CC(C)N1CCC(=O)C1 Z415646352 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.35 CC(N)C1=CC(=O)NN1 Z2526715161 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.14 CCC1=C(C=NN1)CO Z1276700255 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.267 CCC1=C(C(=CC=C1)C=O)O Z1255399776 [0,1,0,0,0,1|0,0,2]=4 102 B11R1.81 CCCC1CCC(=O)NC1=O Z1198160343 [0,1,0,0,0,1|0,0,2]=4 103 B11R1.166 CC(C)N1CCC(=O)NC1=O Z56346950 [0,1,0,0,0,1|1,0,1]=4 104 B9R1.110 CC(=C1CCC1)C(=O)O Z1341746422 [0,0,1,1,0,0|2,0,0]=4 105 B9R1.11 CCC(=O)C1=CC=CO1 Z274774438 [0,0,1,1,0,0|0,0,2]=4 106 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,0,1,1,0,0|2,0,0]=4 107 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [0,0,1,1,0,0|1,0,1]=4 108 B9R1.12 O=CCCC1CCOC1 Z1198305626 [0,0,1,1,0,0|0,0,2]=4 109 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [1,0,0,1,0,0|1,0,1]=4 110 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [1,0,0,1,0,0|0,0,2]=4 111 B11R2.1 O=C1OCC2=C1CCNC2 Z4402125740 [0,1,0,1,0,0|2,0,0]=4 112 B11R2.66 CC1=CC2=C(S1)CCC2=O Z1416188597 [0,1,0,1,0,0|1,0,1]=4