0 B9R1.38 C=C1OC(=O)OC1(C)C Z1201620090 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.38 CC1(CC(=O)NC1=O)C Z384975080 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.38 CC1(NC(=O)CC1=O)C Z1258978079 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.38 CC1(NC(=O)N=C1N)C Z1203586967 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.38 CC1(NC(=O)NC1=O)C Z56766998 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.38 CC1(OC(=O)NC1=O)C Z1255378932 [0,0,0,0,0,0|0,0,2]=2 6 B9R1.38 CC1(SC(=O)NC1=O)C Z1262691814 [0,0,0,0,0,0|0,1,2]=3 7 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1=C(OC(=N1)N)C Z85932429 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.18 CC1=C(OC(=N1)S)C Z234904536 [1,0,0,0,0,0|1,1,1]=4 10 B8R1.18 CC1CC(=O)NC1=O Z729209272 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.18 CC1NC(=O)NC1=O Z56862247 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.18 CC1SC(=NC1=O)N Z57104427 [1,0,0,0,0,0|1,1,1]=4 13 B8R1.18 CN1NC(=O)N=C1S Z217165566 [1,0,0,0,0,0|2,1,0]=4 14 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.51 CC1(CN=C(N1)N)C Z1262644333 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.271 CN1C(=O)NC(C1=O)(C)C Z53843898 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.271 CN1C(=O)OC(C1=O)(C)C Z1201618106 [0,1,0,0,0,0|0,0,2]=3 21 B10R1.272 CC1(NC(=O)OC1(C)C)C Z1509152218 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.339 CN1C(=O)CC(=O)C1(C)C Z1513605914 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.475 CC1(NC(=O)NC1=O)CN Z3281869077 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.475 CCC1(CC(=O)NC1=O)C Z384975088 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.475 CCC1(NC(=O)CC1=O)C Z1510019271 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.475 CCC1(NC(=O)NC1=O)C Z56862713 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.475 C[C@@]1(NC(=O)NC1=O)CN Z3481525890 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.475 C[C@]1(NC(=O)NC1=O)CN Z3481525884 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.14 CC(C)(C)C(=O)N=C=O Z228583196 [0,0,1,0,0,0|1,0,2]=4 32 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [0,0,1,0,0,0|1,0,2]=4 38 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,0,1,0,0,0|2,0,1]=4 42 B10R2.296 C[C@]12C[C@H]1C(=O)NC2=O Z2795438214 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.63 CC1(CNC(=O)NC1=O)C Z1203732182 [0,0,0,0,0,1|1,0,2]=4 44 B10R1.120 CC1(CC(=O)CNC1=O)C Z2582786837 [0,0,0,0,0,1|1,0,2]=4 45 B10R1.120 CC1(CC(=O)NCC1O)C Z3072496094 [0,0,0,0,0,1|1,0,2]=4 46 B10R1.120 CC1(NC(=O)NCC1O)C Z4617778412 [0,0,0,0,0,1|1,0,2]=4 47 B10R1.329 CC1(CC(=O)C=C(C1)N)C Z57154079 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.329 CC1(CC(=O)CC(=O)C1)C Z104474686 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.329 CC1(CC(=O)NC(=O)C1)C Z57475062 [0,0,0,0,0,1|1,0,2]=4 50 B10R1.329 CC1=CC(SC(=N1)N)(C)C Z56761454 [0,0,0,0,0,1|2,1,0]=4 51 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.13 COC(C)(C)C(=O)O Z803492148 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,1,0,0,0|1,0,1]=4 59 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,1,0,0,0|2,0,0]=4 61 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [1,0,1,0,0,0|2,0,0]=4 64 B7R1.2 CC1=CN=C(O1)N Z994267654 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.2 CC1CCC(=O)O1 Z963595138 [2,0,0,0,0,0|1,0,1]=4 66 B7R1.2 CC1CN=C(O1)N Z1203579428 [2,0,0,0,0,0|1,0,1]=4 67 B7R1.2 CC1CNC(=O)O1 Z1198149952 [2,0,0,0,0,0|0,0,2]=4 68 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.2 O=C1COC(=O)N1 Z56762271 [2,0,0,0,0,0|0,0,2]=4 70 B9R0.53 CC(C)OC(=O)CC(=S)N Z330914786 [0,1,1,0,0,0|1,1,0]=4 71 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,1,0,0,0|2,0,0]=4 72 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.79 CC(C)N(O)C(=O)C(=O)O Z1205656969 [0,1,1,0,0,0|2,0,0]=4 74 B9R1.23 CC1=C(OC(=N1)C=O)C Z1404730693 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.125 CC1(CNC(=O)O1)CN Z5851683025 [1,1,0,0,0,0|0,0,2]=4 76 B11R1.419 CCC1(OC(=O)N(C1=O)C)C Z1198155421 [0,2,0,0,0,0|0,0,2]=4 77 B11R1.489 CC1(OC(=O)CC1C(=O)O)C Z1201617404 [0,2,0,0,0,0|1,0,1]=4 78 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,0,1,1,0,0|1,0,0]=3 79 B9R1.19 CC(C)(O)C1=NC=CN1 Z4965468412 [0,0,1,1,0,0|2,0,0]=4 80 B9R1.35 CC(C)C1=NC(=S)ON1 Z2004547729 [0,0,1,1,0,0|1,1,0]=4 81 B9R1.35 CC(C)C1=NOC(=N1)N Z991477728 [0,0,1,1,0,0|2,0,0]=4 82 B9R1.35 CC(C)C1=NOC(=N1)O Z1258992424 [0,0,1,1,0,0|1,0,1]=4 83 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,0,1,0,1,0|1,0,1]=4 84 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,0,1,0,1,0|1,0,1]=4 85 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,1,0,1,0|1,0,1]=4 86 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,0,1,0,1,0|1,0,1]=4 87 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,1,0,1,0|1,0,1]=4 88 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,0,1,0,1,0|0,1,1]=4 89 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,1,0,1,0|1,0,1]=4 90 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,1,0,1,0|1,0,1]=4 91 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [1,0,0,0,1,0|1,0,1]=4 92 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [1,0,0,0,1,0|1,0,1]=4 93 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,0,1,0,0,1|0,0,2]=4 94 B9R1.10 CC1(CNC(=O)CO1)C Z1509200706 [1,0,0,0,0,1|0,0,2]=4