0 B6R0.5 C#CCC(C)(C)C AT23213 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CC(C)(F)CCN P14068 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.5 CC(C)(F)CCO AT22034 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CC(C)(O)CCCl D86387 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.5 CC(C)(O)CON D75282 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.5 CC(F)(F)CCBr E73229 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.5 C[N+](C)(C)CC=O C77425 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.5 C[Si](C)(C)OCCl AC9008 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 C[C@H](F)CCN D76461 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 C[C@H](N)CCF AT11794 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.4 CC(C)(F)CN F53132 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.8 CC(C)(Cl)CCCCl D86383 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.8 CP(C)(=O)CCCN AT13346 [0,1,0,0,0,0|2,1,0]=4 15 B7R0.8 CP(C)(=O)CCCN AT13377 [0,1,0,0,0,0|2,1,0]=4 16 B7R0.8 CS(C)(=O)=NCCN AT25739 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.9 CP(C)(=O)CC(=O)O D76431 [0,1,0,0,0,0|1,1,1]=4 18 B7R0.11 C#CCC(C)(C)CO D77144 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.11 CC(C)(CO)CCN AT20761 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.11 CCCC(C)(C)CO A10859 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.11 OCCC(F)(F)CO AT12562 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.14 CC(C)(O)[C@@H](F)CN AT19907 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.14 CC1(C)C=CCC1 AC8462 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.16 CC1(F)CC(N)C1 P14355 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.16 CC1(O)CC(O)C1 AT22536 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.16 C[C@H]1CC(C)(C)N1 D86024 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.16 C[C@]1(O)C[C@H](N)C1 P13186 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.21 NC1(CCO)CC1 P12555 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.21 NCCC1(O)CC1 AT11469 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [0,0,0,1,0,0|3,0,0]=4 34 B4R0.1 [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.3 C[13C](C)(C)Cl D97989 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 CC[C@H](N)CCO AT14304 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 CC[C@H](N)CCO AT22343 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.1 CC[C@H](N)CCO AT22346 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.1 N[C@H](CF)CCO AT24448 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.1 N[C@H](CO)CCO D75100 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.1 OCC[C@H](O)CCl AT21895 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.2 CC(N)CC(C)O AT23544 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.2 C[C@H](N)CN(C)C AT11416 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.3 CC(C)[C@@H](F)CO AT16234 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.3 CC(C)[C@@H](N)CF AC4773 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 CC(C)[C@@H](N)CF AC5313 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC(C)[C@@H](N)CF AC7091 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 CC(C)[C@@H](N)CO AT21568 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.7 CC(C)(C)B(O)O AT22191 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.7 C[C@H](Cl)C(C)(C)O D86388 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.8 CC(C)(CO)CF AT13782 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.8 CCC(C)(C)NN W10660 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.14 CC(C)(C)[C@@H](N)CCO F53824 [0,2,0,0,0,0|1,0,0]=3 54 B8R0.14 CC(C)(O)[C@@H](F)CCO AC7016 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.21 C[Si](C)(C)OCCCI AC8769 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.34 CC(C)(CN)CC(F)F E73261 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.13 CC(C)(CO)[C@@H](O)CO AT14494 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.13 CC(C)(CO)[C@@H](O)CO AT14499 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.13 CC(C)(CO)[C@@H](O)CO AT14500 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.17 CC(C)(C)C(F)(F)CN AT12482 [0,2,0,0,0,0|2,0,0]=4 61 B6R1.3 NCCN1CC1 P18027 [1,0,0,1,0,0|1,0,1]=4 62 B6R1.3 OCC[C@H]1CO1 D72936 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.3 OCC[C@H]1CO1 D74321 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.5 OC1CC(Br)C1 AT17315 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.8 CC1CC1CN E73335 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [1,0,0,1,0,0|2,0,0]=4 72 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [1,0,0,1,0,0|2,0,0]=4 74 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [1,0,0,1,0,0|1,0,0]=3 75 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [1,0,0,1,0,0|1,0,0]=3 76 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.8 OCC1CC1Cl AT20161 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.9 CC1(C)C[C@@H]1O P19509 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.10 CC1(C)CCN1 AT11216 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [1,0,0,1,0,0|1,0,0]=3 86 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.7 OCC1(Br)CC1 AT25121 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.41 OCCCC1(O)CC1 AT24657 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.51 C[C@@H]1CNC(C)(C)C1 D75540 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.51 C[C@H]1CC(C)(C)CN1 E72926 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.53 CC1(C)CC(C#N)C1 AT20265 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.53 CC1(C)C[C@H](CBr)O1 32846 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.53 CC1(C)C[C@H](CI)O1 CS2199 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.53 CC1(C)C[C@H](CO)N1 P14472 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.53 CC1(C)C[C@H](CO)O1 32851 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.72 CC1(C)CCCCN1 AT24207 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.72 CC1(C)CNCCS1 AT25269 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.72 CC1(C)CSCCN1 AT10787 [0,1,0,1,0,0|1,1,0]=4 99 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.77 CC1(C)C[C@@H]1B(O)O P18013 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.19 CC1(C)CNC[C@@H]1O C91233 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.19 CC1(C)CNC[C@@H]1O F12502 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.19 CC1(C)CNC[C@@H]1O F12503 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.29 CC1(C)C[C@H](N)[C@@H]1O AT11410 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.52 CC1(CBr)CCCC1 57443 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.52 CC[C@]1(O)CCOC1 69115 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.52 CN[C@@]1(C)CCOC1 P11465 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.52 C[C@]1(CBr)CCOC1 P13014 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.52 C[C@]1(CO)CCOC1 D96840 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.52 C[C@]1(CO)CCOC1 D96841 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.52 OC[C@]1(F)CCOC1 AT22083 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.62 CC1(C#N)CC(O)C1 AT12395 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.65 CC1(C)C[C@]1(C)CN E73263 [0,1,0,1,0,0|2,0,0]=4 116 B8R2.2 N[C@@]12COC[C@@H]1C2 E73224 [0,0,0,2,0,0|2,0,0]=4 117 B8R2.43 CC12CC(I)(C1)C2 57461 [0,0,0,2,0,0|2,0,0]=4 118 B8R2.43 CC12CC(O)(C1)C2 AT20342 [0,0,0,2,0,0|1,0,0]=3 119 B8R2.43 NC12CC(O)(C1)C2 P18362 [0,0,0,2,0,0|2,0,0]=4 120 B8R2.43 OC12CC(Cl)(C1)C2 P18591 [0,0,0,2,0,0|2,0,0]=4 121 B8R2.20 BrC[C@H]1CC12CC2 C77435 [0,0,0,2,0,0|2,0,0]=4 122 B8R2.20 NC[C@H]1CC12CC2 D73416 [0,0,0,2,0,0|2,0,0]=4