0 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.4 C#CCOC(=O)Cl SC-71217 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 C=C(C)CNCC SC-47240 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 C=CCOC(=O)Cl SC-18715 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(C)OCCBr SC-50384 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CN(C)CCC=O SC-12823 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CNCCN(C)C SC-29103 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 COCCN(C)C SC-21743 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.29 O=C(Cl)OCC(Cl)(Cl)Cl SC-26737 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.3 CC1CCC(N)CC1 SC-15967 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.3 CC1CCC(N)CC1 SC-54542 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.3 C[C@H]1CN[C@H](C)CO1 SC-42238 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,0,0,1,0,0|1,0,1]=3 69 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.51 C[C@@H]1COS(=O)(=O)O1 SC-69929 [0,0,0,1,0,0|3,0,0]=4 72 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,1,0|1,0,1]=3 73 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,1,0|1,0,0]=2 74 B6R0.2 CC(=O)OC(C)C SC-25616 [0,0,0,0,1,0|0,0,0]=1 75 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,1,0|1,0,2]=4 76 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,1,0|1,0,2]=4 77 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,1,0|1,0,2]=4 78 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,0,0,0,1,0|1,0,2]=4 79 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,1,0|1,0,2]=4 80 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,1,0|1,0,2]=4 81 B6R0.2 CC(C)CB(O)O SC-06923 [0,0,0,0,1,0|2,0,1]=4 82 B6R0.2 CC(C)NC(C)C SC-18336 [0,0,0,0,1,0|2,0,1]=4 83 B6R0.2 CC(C)OC(C)C SC-65190 [0,0,0,0,1,0|1,0,1]=3 84 B6R0.2 CC(Cl)CN(C)C SC-81232 [0,0,0,0,1,0|2,0,1]=4 85 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,1,0|2,0,0]=3 86 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,1,0|2,0,0]=3 87 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,1,0|2,0,0]=3 88 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,1,0|2,0,0]=3 89 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,1,0|2,0,0]=3 90 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,1,0|2,0,0]=3 91 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,1,0|2,0,0]=3 92 B6R0.2 C[SiH](C)O[SiH](C)C SC-92131 [0,0,0,0,1,0|1,2,0]=4 93 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,1|2,0,0]=3 94 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,1|3,0,0]=4 95 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,1|3,0,0]=4 96 B5R0.1 C=C(C)CCBr SC-26305 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 C=C(C)OCC SC-18086 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 C=COC(C)=O SC-79059 [2,0,0,0,0,0|0,0,2]=4 99 B5R0.1 CC(=O)CC#N SC-26510 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|1,0,0]=3 101 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.1 CC(=O)OCBr SC-44237 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,2]=4 104 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.1 CCCC(C)N SC-53929 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|0,0,2]=4 109 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 CCNC(C)C SC-84122 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.1 CCOC(=S)[S-] SC-62877 [2,0,0,0,0,0|1,1,0]=4 112 B5R0.1 CCOC(C)=N SC-02547 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.1 CCOC(C)=N SC-A3540 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 COCC(C)N SC-48787 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 COCC(C)O SC-00293 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.1 COC[C@@H](C)N SC-47724 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 COC[C@@H](C)O SC-04836 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 CS(=O)CCN SC-89327 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CSCS(C)=O SC-87090 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CSNC(C)=O SC-28667 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|0,0,2]=4 127 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 C=COCCO SC-22660 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 C\C=C\OCC SC-89361 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.3 C=CCOC(=O)CCl SC-95960 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.3 C=CCOC(=O)OC SC-82329 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.3 CCCCC(=N)OC SC-91480 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.3 CCOCC(Cl)OC SC-94025 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 CCOCC(O)CO SC-90419 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.3 COC(=O)CCCCl SC-15079 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.3 COCCC(=O)OC SC-46379 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.4 CC(C)CCON=O SC-22768 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.4 CCCC#CC(=O)O SC-96568 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|1,1,0]=4 151 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.4 O=C([O-])COCCO SC-A2671 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.8 CCNCC(C)(C)O SC-97759 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,1,0,0,1,0|0,0,0]=2 170 B7R0.9 CC(=O)N[Si](C)(C)C SC-10615 [0,1,0,0,1,0|1,1,0]=4 171 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [0,1,0,0,1,0|0,0,0]=2 172 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,1,0,0,1,0|1,0,0]=3 173 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,1,0|1,0,0]=3 174 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,1,0,0,1,0|1,0,0]=3 175 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [0,1,0,0,1,0|2,0,0]=4 176 B7R0.9 CN(C)CC(C)(C)O SC-48956 [0,1,0,0,1,0|2,0,0]=4 177 B7R0.9 C[N+](C)(C)CC(=O)[O-] SC-11650 [0,1,0,0,1,0|2,0,0]=4 178 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,1,0|1,0,1]=4 179 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,1,0|1,0,1]=4 180 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,1,0|1,0,0]=3 181 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,1,0|1,0,0]=3 182 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,1,0|1,0,0]=3 183 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,1,0|1,0,0]=3 184 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,1,0|1,0,0]=3 185 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,1,0|1,0,0]=3 186 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,1,0|1,0,0]=3 187 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,1,0|2,0,0]=4 188 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,1,0|2,0,0]=4 189 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,1,0|2,0,0]=4 190 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,1,0|2,0,0]=4 191 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,1,0|2,0,0]=4 192 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,1|2,0,0]=4 193 B9R0.53 CC(=O)CC(=O)OC(C)C SC-18510 [0,1,0,0,0,1|1,0,1]=4 194 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,1|2,0,0]=4 195 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,1,0,0,0,1|1,0,0]=3 196 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,1,0,0,0,1|1,0,0]=3 197 B9R0.56 CC(=O)SCC[N+](C)(C)C SC-90575 [0,1,0,0,0,1|1,1,0]=4 198 B9R0.23 CCC(=O)C(C)CN(C)C SC-44504 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.42 COC(=O)CC(=O)C(C)C SC-27474 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|2,0,0]=4 205 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|0,0,2]=4 206 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|0,0,0]=2 209 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.3 BrC1=CCCCC1 SC-69986 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.3 BrC1CCCOC1 SC-43426 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 CC1CCCCC1 SC-79075 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.3 CC1CCCNC1 SC-46299 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.3 CC1CCNCC1 SC-05890 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 CC1COCCN1 SC-49161 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.3 C[C@@H]1COCCN1 SC-53994 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.3 C[C@H]1CCCNC1 SC-99949 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.3 C[C@H]1COCCN1 SC-21564 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.3 C[C@H]1COCCN1 SC-69967 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.3 C[SiH]1CCCCO1 SC-91060 [1,0,0,1,0,0|1,1,0]=4 233 B7R1.3 ClC1CCCCO1 SC-85266 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.3 NC1CCCOC1 SC-35742 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.3 NC1CCCOC1 SC-49332 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.3 N[C@H]1CCCOC1 SC-94110 [1,0,0,1,0,0|1,0,1]=4 239 B7R1.3 O=C1C=CCCO1 SC-50374 [1,0,0,1,0,0|0,0,2]=4 240 B7R1.3 O=C1CCCCN1 SC-16274 [1,0,0,1,0,0|1,0,0]=3 241 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,0]=2 242 B7R1.3 O=C1CCCNC1 SC-29391 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.3 O=C1CCCNC1 SC-48015 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 O=C1CCCOC1 SC-14944 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.3 O=C1CCNCC1 SC-04236 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.3 O=C1CCNCC1 SC-04379 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.3 O=C1CCNCC1 SC-19352 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.3 O=C1CCOCC1 SC-03251 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.3 O=C1CCSCC1 SC-19697 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.3 O=C1CNCCN1 SC-05365 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.3 O=C1COCCN1 SC-24222 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.3 O=C1CSCCN1 SC-28581 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.3 OC1CC=CCC1 SC-87372 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.3 OC1CCCCO1 SC-84303 [1,0,0,1,0,0|0,0,2]=4 256 B7R1.3 OC1CCCOC1 SC-19794 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.3 OC1CCCOC1 SC-35801 [1,0,0,1,0,0|1,0,1]=4 258 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.14 CC1(C)CCNC1 SC-B8345 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.14 CC1(C)COC=N1 SC-69344 [1,0,0,1,0,0|1,0,0]=3 261 B7R1.14 CC1(C)COCN1 SC-A4039 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.14 O=S1(=O)CCCO1 SC-17901 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,1|2,0,0]=4 270 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,1|2,0,0]=4 271 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,1,0,1|1,0,0]=3 272 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,1,0,1|1,0,0]=3 273 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,0,0,1,0,1|2,0,0]=4 274 B9R1.53 CC(=O)OC1CC(=O)C1 SC-22301 [0,0,0,1,0,1|1,0,1]=4 275 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,0,1,0,1|1,0,1]=4 276 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,0,0,1,0,1|1,0,0]=3 277 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,1|1,0,0]=3 278 B9R1.1 CNC1CCC(=O)CC1 SC-92932 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.1 N#CC1CCC(=O)CC1 SC-29485 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.10 CC1(C)C=CC(=O)CC1 SC-25845 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.10 CC1(C)CCC(=O)CC1 SC-20004 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.10 O=C1CCC(F)(F)CC1 SC-14790 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.69 CC1CN(C)C(=O)CN1 SC-24030 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.69 CC1CN(C)CCC1=O SC-21048 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.138 CC1(C)COC(=O)C1=O SC-67142 [0,1,0,1,0,0|0,0,1]=3 295 B9R1.138 CC1(C)COC(=O)C1O SC-18425 [0,1,0,1,0,0|0,0,0]=2 296 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.51 CC(C)(C)C1CC(=O)C1 SC-91836 [0,1,0,1,0,0|1,0,0]=3 299 B5R0.5 CC(=O)C(C)C SC-18478 [0,0,0,0,2,0|0,0,0]=2 300 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,0,0,0,2,0|1,0,0]=3 301 B5R0.5 CC(=O)C(C)S SC-17208 [0,0,0,0,2,0|1,0,0]=3 302 B5R0.5 CC(=O)C(F)F SC-99156 [0,0,0,0,2,0|2,0,0]=4 303 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,2,0|1,0,0]=3 304 B5R0.5 CC(Br)C(N)=O SC-97497 [0,0,0,0,2,0|2,0,0]=4 305 B5R0.5 CC(C)C(=N)N SC-13079 [0,0,0,0,2,0|2,0,0]=4 306 B5R0.5 CC(C)N(C)C SC-90248 [0,0,0,0,2,0|2,0,0]=4 307 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,2,0|2,0,0]=4 308 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,2,0|2,0,0]=4 309 B5R0.5 CC(N)C(N)=O SC-94219 [0,0,0,0,2,0|2,0,0]=4 310 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,0,0,0,2,0|2,0,0]=4 311 B5R0.5 CC(O)C(=O)[O-] SC-25623 [0,0,0,0,2,0|2,0,0]=4 312 B5R0.5 CC(O)C(=O)[O-] SC-75139 [0,0,0,0,2,0|2,0,0]=4 313 B5R0.5 CC(S)C(=O)O SC-74563 [0,0,0,0,2,0|2,0,0]=4 314 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,2,0|2,0,0]=4 315 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,2,0|2,0,0]=4 316 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,2,0|2,0,0]=4 317 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,0,0,0,2,0|2,0,0]=4 318 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,0,0,0,2,0|2,0,0]=4 319 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,0,0,0,2,0|2,0,0]=4 320 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,2,0|2,0,0]=4 321 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,0,0,0,2,0|2,0,0]=4 322 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,0,0,0,2,0|2,0,0]=4 323 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,0,0,0,2,0|2,0,0]=4 324 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,2,0|2,0,0]=4 325 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,0,0,0,2,0|2,0,0]=4