0 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br Z299596150 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N Z104473848 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O Z57127886 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.19 CC(C)(C)C1=NC=C(C=C1)N Z2935931505 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Br Z406678874 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl Z449374202 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F Z449374056 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.19 CC(C)(N)C1=CC=C(C=C1)I Z5225137620 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.19 CC(C)(O)C1=CC=C(C=C1)Br Z449374220 [0,0,0,0,0,0|1,0,2]=3 9 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.19 CC(C)(O)C1=NC=C(N=C1)Cl Z3300783614 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.19 CC(C)(O)C1=NC=C(N=C1)N Z1262689774 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.19 CC(C)(O)C1=NN=C(C=C1)Cl Z1617996188 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.19 CC1=CCC(CC1)C(C)(C)O Z1255427148 [0,0,0,0,0,0|0,0,2]=2 14 B11R1.19 CC1=NC=C(C=C1)C(C)(C)O Z1095367298 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,0,0|0,0,2]=3 27 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.28 CC(C)(Br)C1=CC=CC=C1 Z2520694454 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.28 CC(C)(C)C1=CC=CC=C1 Z104478422 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.28 CC(C)(N)C1=CC=CC=C1 Z336079658 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.28 CC(C)(O)C1=NC=CC=N1 Z1813190766 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CBr Z104482926 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN Z54748270 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.6 CC(C)(C)C1=NC=C(C=C1)CO Z1847961368 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C#N Z1322795164 [0,1,0,0,0,0|0,0,3]=4 39 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C=O Z1511747837 [0,1,0,0,0,0|0,0,3]=4 40 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CN Z1198305621 [0,1,0,0,0,0|0,0,2]=3 41 B12R1.6 CCC1=CC=C(C=C1)C(C)(C)N Z905155800 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.6 CNC1=CC=C(C=C1)C(C)(C)C Z335259092 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O Z449374328 [0,1,0,0,0,0|0,0,2]=3 44 B12R1.9 CC(C)(CO)C1=CC=C(C=C1)N Z4991552655 [0,1,0,0,0,0|1,0,2]=4 45 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [0,1,0,0,0,0|1,0,2]=4 46 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [0,1,0,0,0,0|1,0,2]=4 47 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C#N Z725146308 [0,1,0,0,0,0|1,0,2]=4 48 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C=O Z1255385343 [0,1,0,0,0,0|0,0,3]=4 49 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CN Z725146612 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.9 COC(C)(C)C1=CC=C(C=C1)Br Z1269200225 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.23 CC1=CC[C@H](C[C@@H]1O)C(C)(C)O Z1278926502 [0,1,0,0,0,0|0,0,2]=3 53 B12R1.126 CC(C)(O)C1=C(C=C(C=C1)Br)Cl Z1486034916 [0,1,0,0,0,0|1,0,2]=4 54 B12R2.290 CC1(CO1)C2=CC=C(C=C2)F Z1020684130 [0,0,0,1,0,0|1,0,2]=4 55 B12R2.290 CC1=CC=C(C=C1)C2(CO2)C Z1020684066 [0,0,0,1,0,0|0,0,2]=3 56 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [0,0,0,0,0,1|1,0,2]=4 57 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [0,0,0,0,0,1|1,0,2]=4 58 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|0,0,2]=4 63 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|0,0,2]=4 64 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [1,1,0,0,0,0|0,0,2]=4 65 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [1,1,0,0,0,0|0,0,2]=4 66 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [1,1,0,0,0,0|0,0,2]=4 67 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [1,1,0,0,0,0|0,0,2]=4 68 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [1,1,0,0,0,0|0,0,2]=4 69 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [1,1,0,0,0,0|0,0,2]=4 70 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [1,1,0,0,0,0|0,0,2]=4 71 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,1,0,0,0,0|0,0,2]=4 72 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,1,0,0,0,0|0,0,2]=4 73 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,1,0,0,0,0|0,0,2]=4 74 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|0,0,2]=4 75 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|0,0,2]=4 76 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|0,0,2]=4 77 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [1,1,0,0,0,0|0,0,2]=4 78 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O Z57127464 [1,1,0,0,0,0|0,0,2]=4 79 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [1,1,0,0,0,0|0,0,2]=4 80 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [1,1,0,0,0,0|0,0,2]=4 81 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Z1216821531 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [1,1,0,0,0,0|0,0,2]=4 84 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [1,1,0,0,0,0|0,0,2]=4 85 B11R1.87 CC(C)(O)C1=C(C=CC=C1)Cl Z449374184 [1,1,0,0,0,0|0,0,2]=4 86 B11R1.87 CC(C)(O)C1=C(C=CC=C1)F Z449374082 [1,1,0,0,0,0|0,0,2]=4 87 B11R1.87 CC1=C(C=CC=C1)C(C)(C)O Z449373950 [1,1,0,0,0,0|0,0,2]=4 88 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Cl Z449374152 [1,1,0,0,0,0|0,0,2]=4 89 B11R1.155 CC(C)(O)C1=CC(=CC=C1)N Z1262641436 [1,1,0,0,0,0|0,0,2]=4 90 B11R1.6 CC1=CC=C(O1)C(C)(O)CN Z1251333047 [0,1,0,0,1,0|1,0,1]=4 91 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN Z3244870706 [0,2,0,0,0,0|0,0,2]=4 92 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)O Z1238572199 [0,2,0,0,0,0|0,0,2]=4 93 B13R1.522 CC1=CC=C(C=C1)C(C)(C)C(=O)O Z725146466 [0,2,0,0,0,0|0,0,2]=4 94 B13R1.710 CC1=CC=C(C=C1)C(C)(CN)CO Z5050028531 [0,2,0,0,0,0|0,0,2]=4 95 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [1,0,0,1,0,0|0,0,2]=4 96 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C Z1255386675 [1,0,0,1,0,0|0,0,2]=4 97 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C Z1255427385 [1,0,0,1,0,0|0,0,2]=4 98 B11R2.2357 CC1([C@@H]2C=C[C@]1(CC2)C)C Z2379088819 [1,0,0,1,0,0|0,0,2]=4 99 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.19 CC(C)(C)N1C=CC=C1 Z55892217 [1,0,0,0,1,0|2,0,0]=4 101 B9R1.19 CC(C)(O)C1=CC=CS1 Z756109948 [1,0,0,0,1,0|1,0,1]=4 102 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,0,0,0,0,1|0,0,2]=4 103 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,0,0,0,0,1|0,0,2]=4