0 B5R0.4 CC(C)(C)CN Z291234094 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.4 CC(C)(C)CO Z397587176 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.4 CC(C)(F)C#N Z1198369138 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.4 CC(C)(N)CN Z1266854946 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.4 CC(C)(O)CO Z600454414 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.4 CC(F)(F)CN Z1201623622 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.4 CCC(C)(C)N Z104480062 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.4 CCC(C)(C)O Z104473496 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.4 NCC(F)(F)Cl Z3208061227 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.4 NCC(F)(F)F Z235149257 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.4 OCC(Br)(Br)Br Z1269188950 [0,0,0,0,0,0|0,3,0]=3 11 B5R0.4 [O-]CC(F)(F)F Z1723549330 [0,0,0,0,0,0|0,0,1]=1 12 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|1,1,1]=4 13 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|0,0,0]=1 32 B4R0.3 CC(C)(C)Cl Z281778956 [1,0,0,0,0,0|2,1,0]=4 33 B4R0.3 CS(=O)(=O)F Z361886230 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.3 O=P(O)(O)F Z1255360409 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.5 CC(C)(F)CCN Z2515207542 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.5 CC(F)(F)CCN Z2230911674 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.5 CNCC(F)(F)Br Z2168496104 [0,1,0,0,0,0|1,1,0]=3 39 B6R0.5 CNCC(F)(F)Cl Z4410130964 [0,1,0,0,0,0|1,1,0]=3 40 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.5 NCCC(F)(F)F Z1741959014 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.7 CC(N)C(C)(F)F Z2234631218 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.7 CC(N)C(F)(F)F Z2120060909 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.7 FC(F)(F)C(Cl)Br Z1201617125 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,1,0,0,0,0|0,1,1]=3 49 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,1,0,0,0,0|0,1,1]=3 50 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,1,0,0,0,0|0,0,1]=2 51 B6R0.8 CC(C)(CN)CO Z3247605488 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.8 CNC(C)(C)CO Z425727892 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.8 COC(C)(C)CO Z1255430497 [0,1,0,0,0,0|3,0,0]=4 57 B6R1.7 NC1(CC1)CO Z1741975623 [0,0,0,1,0,0|3,0,0]=4 58 B6R1.10 CC1(CNC1)F Z1964347522 [0,0,0,1,0,0|3,0,0]=4 59 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,0,0]=3 61 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 63 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 64 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.1 CNCC(F)F Z1259341074 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.1 NCC=C(F)F Z4511316967 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.3 C#CC(N)CO Z2235790715 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.3 N#CC(N)CO Z2301438409 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.3 NCC(F)CN Z2733320873 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.3 NCC(O)CF Z2311274712 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|0,0,2]=4 93 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.8 CC(F)(F)CCCN Z2230911371 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.8 CCNCC(F)(F)F Z359419798 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.8 N#CCCC(F)(F)F Z1201621702 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.8 NCCSC(F)(F)F Z255150092 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.8 OCCSC(F)(F)F Z56770481 [0,2,0,0,0,0|0,0,0]=2 99 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.9 N=C(N)CC(F)(F)F Z1272672457 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.11 CCC(F)(F)CCN Z4655824632 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.11 OCCC(F)(F)CO Z1896514152 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.14 CC(CN)C(C)(F)F Z3813453680 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.14 CC(CN)C(F)(F)F Z1744689501 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.14 CCC(N)C(C)(F)F Z4077526422 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.14 CCC(O)C(F)(F)F Z838950592 [0,2,0,0,0,0|0,0,0]=2 107 B7R0.14 CC[C@H](N)C(F)(F)F Z1809367787 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.14 CNC(=O)C(F)(F)F Z57969754 [0,2,0,0,0,0|0,0,2]=4 109 B7R0.14 NCC(F)C(F)(F)F Z2733322840 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.14 NC[C@H](O)C(F)(F)F Z2235329646 [0,2,0,0,0,0|0,0,0]=2 111 B7R0.14 N[C@H](CO)C(F)(F)F Z1198277881 [0,2,0,0,0,0|0,0,0]=2 112 B7R0.13 CC(C)C(F)(F)CN Z2310716426 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.13 CC(N)(CO)C(F)F Z3487421443 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.13 COC(F)(F)C(Cl)Cl Z1201617823 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.13 NCC(F)(F)C(F)F Z1836338803 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.13 OCC(F)(F)C(F)F Z104477086 [0,2,0,0,0,0|0,0,0]=2 118 B7R0.17 CC(C)(N)C(C)(F)F Z2469998596 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.17 CC(C)(N)C(F)(F)F Z1741966858 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.17 O=S(=O)(O)C(F)(F)F Z104509352 [0,2,0,0,0,0|1,0,0]=3 121 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|2,0,0]=4 122 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|2,0,0]=4 123 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|2,0,0]=4 124 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|2,0,0]=4 125 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|2,0,0]=4 126 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.16 NC1CC(C1)(F)F Z1346385682 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.23 CNC1CC1(F)F Z5768050403 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.32 CC1(CC1(F)F)N Z1201624184 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.30 C[C@@H]1[C@H](C1(F)F)N Z4196355975 [0,1,0,1,0,0|2,0,0]=4