0 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,0,0,0,0,0|1,0,3]=4 15 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,0|0,0,2]=2 22 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,0|0,0,2]=2 23 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,0,0,0,0,0|1,0,3]=4 25 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,0,0,0,0,0|0,0,4]=4 29 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,0,0,0,0,0|1,0,1]=2 37 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,0,0,0,0,0|1,0,1]=2 38 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,0,0,0,0,0|1,0,1]=2 39 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,0,0,0,0,0|1,0,1]=2 42 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,0,0,0,0,0|1,0,1]=2 43 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.3 C=CCCC(N)CC MCULE-4520234599 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.3 C=CCCC(N)CC MCULE-9493759139 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.3 C=CCCC(N)CN MCULE-3448579919 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,0,0,0,0,0|0,0,3]=4 53 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,0,0,0,0,0|0,0,2]=3 62 B7R0.4 C=CCCCB(O)O MCULE-3337238704 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|0,0,0]=1 65 B7R0.4 C=CCCCC(C)C MCULE-7578384030 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.4 C=CCCCC(C)N MCULE-4101795283 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.4 C=CCCCN(=O)=O MCULE-2477675285 [1,0,0,0,0,0|1,0,1]=3 69 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 C=CCNCC(=C)Br MCULE-1736421894 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.4 C=CCNCC(=C)Br MCULE-1835425145 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,0,0,0,0|0,0,3]=4 79 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|0,0,2]=3 86 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|0,0,2]=3 90 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,0,0,0,0|0,0,3]=4 91 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,0,0,0,0|0,0,3]=4 92 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|1,0,2]=4 95 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,0,0,0,0|1,0,2]=4 98 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,0,0,0,0|1,0,2]=4 99 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,0,0,0,0|1,0,2]=4 100 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|1,0,1]=3 117 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,0,0,0,0|1,0,1]=3 132 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|1,0,1]=3 133 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|1,0,1]=3 134 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|1,0,1]=3 136 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,0,0,0,0|1,0,2]=4 144 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|1,0,0]=2 145 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,0,0,0,0,0|1,0,1]=3 146 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,0,0,0,0,0|1,0,1]=3 149 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,0,0,0,0,0|1,0,1]=3 152 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,0,0|1,0,2]=4 154 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,0,0,0,0,0|1,0,1]=3 159 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,0,0,0,0,0|0,0,1]=2 165 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,0,0,0,0,0|0,0,1]=2 166 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,0,0,0,0,0|1,0,1]=3 169 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,0,0,0,0,0|1,0,2]=4 170 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,0,0,0,0,0|1,0,1]=3 171 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,0,0,0,0,0|0,0,1]=2 175 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,0,0,0,0,0|0,0,1]=2 176 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,0,0,0,0,0|0,0,1]=2 177 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,0,0,0,0,0|0,0,1]=2 178 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,0,0,0,0,0|0,0,1]=2 180 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,0,0,0,0,0|0,0,1]=2 181 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [1,0,0,0,0,0|2,0,1]=4 186 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,0,0|1,0,1]=3 189 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,0,0|2,0,1]=4 190 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,0,0|2,0,1]=4 195 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,0,0,0,0,0|2,0,0]=3 196 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,0,0,0,0,0|3,0,0]=4 199 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,0|1,0,1]=3 201 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,0|1,0,1]=3 204 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,0|1,0,2]=4 205 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,0|3,0,0]=4 208 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,0|3,0,0]=4 209 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,0|3,0,0]=4 210 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,0|3,0,0]=4 211 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,0|3,0,0]=4 212 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,0|3,0,0]=4 213 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,0|3,0,0]=4 215 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,0|3,0,0]=4 217 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,0|3,0,0]=4 219 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,0|3,0,0]=4 220 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,0|3,0,0]=4 221 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,0|3,0,0]=4 222 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,0|2,0,0]=3 224 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,0|3,0,0]=4 227 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,0|3,0,0]=4 228 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,0|3,0,0]=4 229 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,0|3,0,0]=4 231 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,0|3,0,0]=4 232 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,0|3,0,0]=4 235 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,0|2,0,0]=3 236 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,0|2,0,0]=3 237 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,0|2,0,0]=3 238 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,0|3,0,0]=4 239 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,0|3,0,0]=4 240 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,0|1,0,0]=2 241 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,0|1,0,0]=2 242 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,0|2,0,0]=3 243 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,0,0|2,0,0]=3 244 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,0,0|2,0,0]=3 245 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,0,0|2,0,0]=3 247 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,0|2,0,0]=3 248 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,0|2,0,0]=3 249 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,0,0|2,0,0]=3 250 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,0,0|2,0,0]=3 251 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,0,0|2,0,0]=3 252 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,0,0|2,0,0]=3 253 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,0|2,0,0]=3 254 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,0|2,0,0]=3 255 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,0|3,0,0]=4 256 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,0|3,0,0]=4 259 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,0|3,0,0]=4 260 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,0|3,0,0]=4 261 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,0|1,0,0]=2 262 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,0|1,0,0]=2 263 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,0|1,0,0]=2 264 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,0|1,0,0]=2 265 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,0|1,0,0]=2 266 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,0|1,0,0]=2 267 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,0|1,0,0]=2 268 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,0|1,0,0]=2 269 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,0|1,0,0]=2 270 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,0|1,0,1]=3 271 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,0|1,0,0]=2 272 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,0|1,0,0]=2 273 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,0|1,0,0]=2 274 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,0|1,0,0]=2 275 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,0|1,0,0]=2 276 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,0|1,0,0]=2 277 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,0|1,0,1]=3 278 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,0|1,0,1]=3 279 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,0|1,0,1]=3 280 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,0|1,0,0]=2 281 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,0|1,0,0]=2 282 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,0|2,0,0]=3 286 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,0|2,0,0]=3 287 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,0|2,0,0]=3 288 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,0|2,0,0]=3 289 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,0|2,0,0]=3 290 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,0|2,0,0]=3 291 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,0|2,0,0]=3 292 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,0|2,0,0]=3 293 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,0|2,0,1]=4 297 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,0|2,0,1]=4 298 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,0|2,0,1]=4 299 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,0|2,0,1]=4 300 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,0|2,0,0]=3 301 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,0|1,0,0]=2 302 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,0|1,0,0]=2 303 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,0|3,0,0]=4 304 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,0|2,0,0]=3 305 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,0,0,0,0|1,0,2]=4 306 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,1,0,0,0,0|1,0,2]=4 308 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,1,0,0,0,0|1,0,2]=4 309 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,1,0,0,0,0|1,0,2]=4 310 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,1,0,0,0,0|1,0,2]=4 311 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,1,0,0,0,0|1,0,2]=4 312 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,1,0,0,0,0|1,0,2]=4 313 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,1,0,0,0,0|1,0,2]=4 314 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,1,0,0,0,0|1,0,2]=4 315 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,1,0,0,0,0|1,0,2]=4 316 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,1,0,0,0,0|1,0,2]=4 317 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,1,0,0,0,0|1,0,2]=4 318 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,1,0,0,0,0|1,0,2]=4 319 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,0|2,0,1]=4 321 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,1,0,0,0,0|0,0,2]=3 322 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,1,0,0,0,0|0,0,2]=3 323 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,1,0,0,0,0|2,0,1]=4 324 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,0|2,0,1]=4 325 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,0|1,0,2]=4 326 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,0|1,0,2]=4 327 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,0|1,0,2]=4 328 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,1,0,0,0,0|1,0,2]=4 329 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,1,0,0,0,0|1,0,2]=4 331 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,1,0,0,0,0|0,0,2]=3 332 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,1,0,0,0,0|0,0,2]=3 333 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [0,1,0,0,0,0|0,0,2]=3 334 B9R0.64 C=CS(=O)(=O)CCC(=O)N MCULE-5422662835 [0,1,0,0,0,0|3,0,0]=4 335 B9R0.64 CC(C)(C#N)CCC(=O)O MCULE-9778482265 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [0,0,0,1,0,0|3,0,0]=4 337 B9R1.10 CC1(C=CC(CC1)N)C MCULE-5145393290 [0,0,0,1,0,0|2,0,1]=4 338 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,0|2,0,1]=4 339 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,0|1,0,2]=4 340 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,0|2,0,1]=4 341 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,0|2,0,1]=4 342 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,0|2,0,1]=4 343 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-4940976118 [0,0,0,1,0,0|3,0,0]=4 344 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-8264815969 [0,0,0,1,0,0|3,0,0]=4 345 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,0|2,0,1]=4 346 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,0|2,0,1]=4 347 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,0|2,0,1]=4 348 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,0|2,0,1]=4 349 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,0|2,0,1]=4 350 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,0|2,0,1]=4 351 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,0|2,0,1]=4 352 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,0|2,0,1]=4 353 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,0,0,1,0,0|1,0,2]=4 354 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,0,0,1,0,0|1,0,2]=4 355 B9R1.35 NC1=CC=C(N1)C(=O)O MCULE-5208029782 [0,0,0,1,0,0|1,0,2]=4 356 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,0,0,1,0,0|0,0,0]=1 357 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,0,0,1,0,0|0,0,0]=1 358 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,0,0,1,0,0|0,0,2]=3 359 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,0,0,1,0,0|0,0,2]=3 360 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,0|0,0,2]=3 361 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,0|0,0,2]=3 362 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,0|1,0,1]=3 363 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,0|1,0,1]=3 364 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,0,0,1,0,0|0,0,0]=1 365 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,0,0,1,0,0|0,0,0]=1 366 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,0,0,1,0,0|0,0,0]=1 367 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,0,0,1,0,0|0,0,0]=1 368 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,0|0,0,2]=3 369 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,0|0,0,2]=3 370 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,0|0,0,2]=3 371 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,0|0,0,2]=3 372 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,0|0,0,2]=3 373 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,0|0,0,2]=3 374 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,0|0,0,2]=3 375 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,0|0,0,2]=3 376 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,0|1,0,1]=3 377 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,0|1,0,1]=3 378 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,0|1,0,1]=3 379 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,0|1,0,1]=3 380 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,0|1,0,1]=3 381 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,0|1,0,1]=3 382 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,0|1,0,1]=3 383 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,0|1,0,1]=3 384 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,0,0,1,0,0|0,0,0]=1 385 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,0,0,1,0,0|0,0,0]=1 386 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,0,0,1,0,0|0,0,0]=1 387 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,0,0,1,0,0|0,0,0]=1 388 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,0,0,1,0,0|0,0,0]=1 389 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,0,0,1,0,0|0,0,0]=1 390 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,0,0,1,0,0|0,0,0]=1 391 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,0,0,1,0,0|0,0,0]=1 392 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,0,0,1,0,0|0,0,0]=1 393 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,0|0,0,2]=3 394 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,0|0,0,2]=3 395 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,0|0,0,2]=3 396 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,0|0,0,2]=3 397 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,0|0,0,2]=3 398 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,0|0,0,2]=3 399 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,0|0,0,2]=3 400 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,0|0,0,2]=3 401 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,0|0,0,2]=3 402 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,0|0,0,2]=3 403 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,0|1,0,1]=3 404 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,0|1,0,1]=3 405 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,0|1,0,1]=3 406 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,0|1,0,1]=3 407 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,0|1,0,1]=3 408 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,0|1,0,1]=3 409 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,0|1,0,1]=3 410 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,0|1,0,1]=3 411 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,0|1,0,1]=3 412 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,0|2,0,1]=4 413 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,0|2,0,1]=4 414 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,0|2,0,1]=4 415 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,0|2,0,1]=4 416 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,0|2,0,1]=4 417 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,0|2,0,1]=4 418 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,0|2,0,1]=4 419 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,0|1,0,2]=4 420 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,0|1,0,2]=4 421 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|1,0,2]=4 422 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,0|2,0,1]=4 423 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,0|2,0,1]=4 424 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,0|2,0,1]=4 425 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|1,0,2]=4 426 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|1,0,2]=4 427 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|1,0,2]=4 428 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,0|2,0,1]=4 429 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,0|2,0,1]=4 430 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,0|2,0,1]=4 431 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,0|2,0,1]=4 432 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,0|2,0,1]=4 433 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,0|2,0,1]=4 434 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,0|2,0,1]=4 435 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,0|2,0,1]=4 436 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,0|2,0,1]=4 437 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,0|2,0,1]=4 438 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,0|2,0,1]=4 439 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,0|2,0,1]=4 440 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,0|2,0,1]=4 441 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,0|2,0,1]=4 442 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,0|2,0,1]=4 443 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,0|2,0,1]=4 444 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,0|2,0,1]=4 445 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,0|2,0,1]=4 446 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,0|2,0,1]=4 447 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,0|2,0,1]=4 448 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,0|2,0,1]=4 449 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,0|2,0,1]=4 450 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,0|2,0,1]=4 451 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,0|2,0,1]=4 452 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,0|2,0,1]=4 453 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,0|2,0,1]=4 454 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,0|2,0,1]=4 455 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,0|2,0,1]=4 456 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,0|2,0,1]=4 457 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|1,0,2]=4 458 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|1,0,2]=4 459 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|1,0,2]=4 460 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,0|2,0,1]=4 461 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,0|2,0,1]=4 462 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,0|2,0,1]=4 463 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,0|2,0,1]=4 464 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,0|2,0,1]=4 465 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,0|2,0,1]=4 466 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,0|2,0,1]=4 467 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,0|2,0,1]=4 468 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,0|2,0,1]=4 469 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,0|2,0,1]=4 470 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,0|2,0,1]=4 471 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,0|2,0,1]=4 472 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,0|2,0,1]=4 473 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,0|2,0,1]=4 474 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,0|2,0,1]=4 475 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,0|2,0,1]=4 476 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,0|2,0,1]=4 477 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,0|0,0,2]=3 478 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,0|0,0,2]=3 479 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,0|2,0,1]=4 480 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,0|2,0,1]=4 481 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,0|2,0,1]=4 482 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,0|2,0,1]=4 483 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,0|2,0,1]=4 484 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,0|2,0,1]=4 485 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,1,0,0|1,0,2]=4 486 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,1,0,0|1,0,2]=4 487 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,0,0,1,0,0|3,0,0]=4 488 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,0,0,1,0,0|3,0,0]=4 489 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,0,0,1,0,0|3,0,0]=4 490 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,0,0,1,0,0|3,0,0]=4 491 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,0,0,1,0,0|1,0,2]=4 492 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,0,0,1,0,0|3,0,0]=4 493 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,0,0,1,0,0|2,0,0]=3 494 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,0,0,1,0,0|2,0,0]=3 495 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,0,0,1,0,0|2,0,0]=3 496 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,0,0,1,0,0|2,0,0]=3 497 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,0,0,1,0,0|2,0,0]=3 498 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,0,0,1,0,0|2,0,0]=3 499 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,0,0,1,0,0|2,0,0]=3 500 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,0,0,1,0,0|2,0,0]=3 501 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,0,0,1,0,0|2,0,0]=3 502 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,0,0,1,0,0|2,0,0]=3 503 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,0,0,1,0,0|2,0,0]=3 504 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,0,0,1,0,0|3,0,0]=4 505 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,0,0,1,0,0|2,0,0]=3 506 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,0,0,1,0,0|2,0,1]=4 507 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,0,0,1,0,0|1,0,2]=4 508 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,0,0,1,0,0|1,0,2]=4 509 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,0|1,0,2]=4 510 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,0|1,0,2]=4 511 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,0,0,1,0,0|2,0,1]=4 512 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,0,0,1,0,0|2,0,1]=4 513 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,0,0,1,0,0|2,0,1]=4 514 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,0,0,1,0,0|2,0,1]=4 515 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,0,0,1,0,0|2,0,1]=4 516 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,0,0,1,0,0|2,0,1]=4 517 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,0,1,0,0|2,0,1]=4 518 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,0,1,0,0|2,0,1]=4 519 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,0,1,0,0|2,0,1]=4 520 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,0,1,0,0|2,0,1]=4 521 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,0,1,0,0|2,0,1]=4 522 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,0,1,0,0|2,0,1]=4 523 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,0,1,0,0|2,0,1]=4 524 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,0,1,0,0|2,0,1]=4 525 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,0,1,0,0|2,0,1]=4 526 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [0,0,0,1,0,0|1,0,0]=2 527 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,0,0,1,0,0|1,0,2]=4 528 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,0,0,1,0,0|1,0,2]=4 529 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,0,0,1,0,0|1,0,2]=4 530 B9R1.147 CC1(N=N1)CCC(=O)O MCULE-3120941504 [0,0,0,1,0,0|3,0,0]=4 531 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,0,0,1,0,0|1,0,2]=4 532 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,0,0,0,1,0|1,0,2]=4 533 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,1,0|2,0,1]=4 534 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,0,0,1,0|1,0,0]=2 535 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,0,0,0,1,0|3,0,0]=4 536 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,1,0|0,0,0]=1 537 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,1,0|0,0,0]=1 538 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,0,0,0,1,0|1,0,0]=2 539 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,0,0,0,1,0|3,0,0]=4 540 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,0,0,0,1,0|3,0,0]=4 541 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,1,0|2,0,1]=4 542 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,1,0|2,0,1]=4 543 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,1,0|1,0,2]=4 544 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,1,0|1,0,2]=4 545 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,1,0|0,0,2]=3 546 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,1,0|0,0,2]=3 547 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,1,0|1,0,2]=4 548 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,1,0|1,0,2]=4 549 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,1,0|1,0,2]=4 550 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,1,0|0,0,2]=3 551 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,1,0|0,0,2]=3 552 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,1,0|0,0,2]=3 553 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,1,0|0,0,2]=3 554 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,1,0|1,0,2]=4 555 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,1,0|1,0,2]=4 556 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,1,0|0,0,2]=3 557 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,1,0|0,0,2]=3 558 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,1,0|0,0,2]=3 559 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,1,0|0,0,2]=3 560 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,0,0,0,1,0|3,0,0]=4 561 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,0,0,1,0|2,0,1]=4 562 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,0,0,1,0|2,0,1]=4 563 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,0,0,1,0|2,0,1]=4 564 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,0,0,1,0|2,0,1]=4 565 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,1,0|2,0,1]=4 566 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,1,0|2,0,1]=4 567 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,0,0,0,1,0|2,0,1]=4 568 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,1,0|2,0,1]=4 569 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,1,0|1,0,1]=3 570 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,1,0|1,0,1]=3 571 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,1,0|1,0,1]=3 572 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,1,0|1,0,1]=3 573 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,1,0|1,0,1]=3 574 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,1,0|2,0,1]=4 575 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,1,0|1,0,1]=3 576 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,1,0|1,0,1]=3 577 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,1,0|2,0,1]=4 578 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,1,0|2,0,1]=4 579 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,1,0|1,0,1]=3 580 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,1,0|1,0,1]=3 581 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,1,0|2,0,1]=4 582 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,1,0|2,0,1]=4 583 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,1,0|1,0,1]=3 584 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,1,0|1,0,1]=3 585 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,1,0|1,0,1]=3 586 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,1,0|1,0,1]=3 587 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,1,0|2,0,1]=4 588 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,1,0|2,0,1]=4 589 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,0,0,0,1,0|3,0,0]=4 590 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,0,0,0,0,1|1,0,1]=3 591 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,0,0,0,0,1|1,0,2]=4 592 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,0,0,0,0,1|2,0,1]=4 593 B6R0.1 C=CC(C)CCC MCULE-2692803387 [2,0,0,0,0,0|1,0,1]=4 594 B6R0.1 C=CC(C)CCO MCULE-2890369298 [2,0,0,0,0,0|1,0,0]=3 595 B6R0.1 C=CC(N)CCO MCULE-7781906138 [2,0,0,0,0,0|0,0,0]=2 596 B6R0.1 C=CC(N)COC MCULE-3217346081 [2,0,0,0,0,0|1,0,1]=4 597 B6R0.1 C=CC(O)CCC MCULE-3664453040 [2,0,0,0,0,0|1,0,1]=4 598 B6R0.1 C=CC(O)CCN MCULE-9346205308 [2,0,0,0,0,0|2,0,0]=4 599 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [2,0,0,0,0,0|1,0,1]=4 600 B6R0.1 CCC(N)CCO MCULE-1511155206 [2,0,0,0,0,0|0,0,2]=4 601 B6R0.1 CCC(N)CCO MCULE-5525302643 [2,0,0,0,0,0|0,0,2]=4 602 B6R0.1 NC(CO)CCO MCULE-3703088648 [2,0,0,0,0,0|1,0,1]=4 603 B6R0.1 NC(CO)CCO MCULE-7609576462 [2,0,0,0,0,0|1,0,1]=4 604 B6R0.1 NCC(N)CCO MCULE-2965554481 [2,0,0,0,0,0|1,0,1]=4 605 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [2,0,0,0,0,0|1,0,1]=4 606 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [2,0,0,0,0,0|1,0,1]=4 607 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [2,0,0,0,0,0|1,0,1]=4 608 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [2,0,0,0,0,0|1,0,1]=4 609 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|0,0,2]=4 610 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|0,0,2]=4 611 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [2,0,0,0,0,0|0,0,2]=4 612 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [2,0,0,0,0,0|0,0,2]=4 613 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [2,0,0,0,0,0|0,0,2]=4 614 B6R0.4 C=CCCB(O)O MCULE-9431650735 [2,0,0,0,0,0|1,0,1]=4 615 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [2,0,0,0,0,0|2,0,0]=4 616 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [2,0,0,0,0,0|2,0,0]=4 617 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [2,0,0,0,0,0|2,0,0]=4 618 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [2,0,0,0,0,0|1,0,0]=3 619 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [2,0,0,0,0,0|1,0,0]=3 620 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [2,0,0,0,0,0|1,0,0]=3 621 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|0,0,0]=2 622 B6R0.4 C=CCCC(C)O MCULE-3388106789 [2,0,0,0,0,0|1,0,1]=4 623 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [2,0,0,0,0,0|1,0,1]=4 624 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [2,0,0,0,0,0|1,0,1]=4 625 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [2,0,0,0,0,0|1,0,1]=4 626 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [2,0,0,0,0,0|1,0,1]=4 627 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [2,0,0,0,0,0|2,0,0]=4 628 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [2,0,0,0,0,0|2,0,0]=4 629 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [2,0,0,0,0,0|2,0,0]=4 630 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [2,0,0,0,0,0|2,0,0]=4 631 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [2,0,0,0,0,0|2,0,0]=4 632 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [2,0,0,0,0,0|1,0,0]=3 633 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [2,0,0,0,0,0|2,0,0]=4 634 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [2,0,0,0,0,0|2,0,0]=4 635 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [2,0,0,0,0,0|2,0,0]=4 636 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|2,0,0]=4 637 B6R0.4 CC(=O)NCCN MCULE-2230084818 [2,0,0,0,0,0|2,0,0]=4 638 B6R0.4 CC(=O)OCCN MCULE-4530529900 [2,0,0,0,0,0|2,0,0]=4 639 B6R0.4 CC(=O)OCCN MCULE-6854340494 [2,0,0,0,0,0|2,0,0]=4 640 B6R0.4 CC(=O)SCCN MCULE-3819903256 [2,0,0,0,0,0|2,0,0]=4 641 B6R0.4 CC(=O)SCCN MCULE-4872130470 [2,0,0,0,0,0|2,0,0]=4 642 B6R0.4 CC(=O)SCCN MCULE-7084821345 [2,0,0,0,0,0|2,0,0]=4 643 B6R0.4 CC(C)CCC=O MCULE-9664145623 [2,0,0,0,0,0|1,0,1]=4 644 B6R0.4 CC(N)CCCO MCULE-6629535696 [2,0,0,0,0,0|0,0,2]=4 645 B6R0.4 CC(O)CCCN MCULE-3754805134 [2,0,0,0,0,0|1,0,1]=4 646 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|0,0,2]=4 647 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|1,0,1]=4 648 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|1,0,1]=4 649 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|1,0,1]=4 650 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|1,0,1]=4 651 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|0,0,1]=3 652 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|0,0,2]=4 653 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|1,0,1]=4 654 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|1,0,1]=4 655 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,1]=4 656 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,1]=4 657 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|1,0,1]=4 658 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|1,0,1]=4 659 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|1,0,1]=4 660 B6R0.4 CS(=O)CCCN MCULE-1124989526 [2,0,0,0,0,0|2,0,0]=4 661 B6R0.4 CS(=O)CCCN MCULE-8758903495 [2,0,0,0,0,0|2,0,0]=4 662 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|1,0,1]=4 663 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [2,0,0,0,0,0|0,0,2]=4 664 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|0,0,2]=4 665 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [2,0,0,0,0,0|2,0,0]=4 666 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|2,0,0]=4 667 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [2,0,0,0,0,0|0,0,2]=4 668 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [2,0,0,0,0,0|0,0,2]=4 669 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [2,0,0,0,0,0|0,0,2]=4 670 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [2,0,0,0,0,0|0,0,2]=4 671 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [2,0,0,0,0,0|1,0,0]=3 672 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [2,0,0,0,0,0|1,0,0]=3 673 B6R0.4 NCCCC(=O)N MCULE-8039142092 [2,0,0,0,0,0|1,0,0]=3 674 B6R0.4 NCCCC(=O)N MCULE-8262250872 [2,0,0,0,0,0|1,0,0]=3 675 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|0,0,0]=2 676 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|0,0,0]=2 677 B6R0.4 NCCNC(=O)N MCULE-1197396950 [2,0,0,0,0,0|2,0,0]=4 678 B6R0.4 NCCNC(=O)N MCULE-2171700183 [2,0,0,0,0,0|2,0,0]=4 679 B6R0.4 NCCNC(=O)N MCULE-3799764813 [2,0,0,0,0,0|2,0,0]=4 680 B6R0.4 NCCOC(=O)N MCULE-4144808257 [2,0,0,0,0,0|2,0,0]=4 681 B6R0.4 NCCOC(=O)N MCULE-5815053840 [2,0,0,0,0,0|2,0,0]=4 682 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|1,0,0]=3 683 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|1,0,0]=3 684 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [2,0,0,0,0,0|2,0,0]=4 685 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [2,0,0,0,0,0|2,0,0]=4 686 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,0]=3 687 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,0]=3 688 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,0]=3 689 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,0]=3 690 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|1,0,0]=3 691 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|2,0,0]=4 692 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [2,0,0,0,0,0|1,0,1]=4 693 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|1,0,0]=3 694 B6R0.4 O=CCCC(F)F MCULE-4743402824 [2,0,0,0,0,0|2,0,0]=4 695 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [2,0,0,0,0,0|2,0,0]=4 696 B6R0.6 C#CCCCC=C MCULE-2596375073 [2,0,0,0,0,0|1,0,1]=4 697 B6R0.6 C#CCCCC=O MCULE-4075029417 [2,0,0,0,0,0|0,0,2]=4 698 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [2,0,0,0,0,0|1,0,1]=4 699 B6R0.6 C=CCCC=CC MCULE-6481809840 [2,0,0,0,0,0|1,0,1]=4 700 B6R0.6 C=CCCCC#N MCULE-3708293792 [2,0,0,0,0,0|1,0,1]=4 701 B6R0.6 C=CCCCC=O MCULE-8676840281 [2,0,0,0,0,0|0,0,0]=2 702 B6R0.6 C=CCCCCBr MCULE-4313298656 [2,0,0,0,0,0|1,0,1]=4 703 B6R0.6 C=CCCCCC MCULE-5868303078 [2,0,0,0,0,0|1,0,1]=4 704 B6R0.6 C=CCCCCCl MCULE-7600727876 [2,0,0,0,0,0|1,0,1]=4 705 B6R0.6 C=CCCCCI MCULE-5694143061 [2,0,0,0,0,0|1,0,1]=4 706 B6R0.6 C=CCCCCN MCULE-1489231988 [2,0,0,0,0,0|1,0,1]=4 707 B6R0.6 C=CCCCCN MCULE-4288584778 [2,0,0,0,0,0|1,0,1]=4 708 B6R0.6 C=CCCCCO MCULE-3631432277 [2,0,0,0,0,0|0,0,1]=3 709 B6R0.6 C=CCCCNC MCULE-6696525157 [2,0,0,0,0,0|2,0,0]=4 710 B6R0.6 C=CCCCNC MCULE-7417274044 [2,0,0,0,0,0|2,0,0]=4 711 B6R0.6 C=CCCCON MCULE-6496647420 [2,0,0,0,0,0|2,0,0]=4 712 B6R0.6 C=CCCCON MCULE-7055713530 [2,0,0,0,0,0|2,0,0]=4 713 B6R0.6 C=CCNCC=C MCULE-1595235262 [2,0,0,0,0,0|2,0,0]=4 714 B6R0.6 C=CCNCC=C MCULE-3284076720 [2,0,0,0,0,0|2,0,0]=4 715 B6R0.6 C=CCNCCO MCULE-5860509324 [2,0,0,0,0,0|1,0,1]=4 716 B6R0.6 C=CCOCC=C MCULE-1121686176 [2,0,0,0,0,0|2,0,0]=4 717 B6R0.6 C=CCOCC=O MCULE-8507800253 [2,0,0,0,0,0|1,0,0]=3 718 B6R0.6 C=CCOCCO MCULE-5718868633 [2,0,0,0,0,0|1,0,1]=4 719 B6R0.6 C=CCSCC=C MCULE-7417537491 [2,0,0,0,0,0|2,0,0]=4 720 B6R0.6 C=COCCCO MCULE-8325617945 [2,0,0,0,0,0|1,0,1]=4 721 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|0,0,2]=4 722 B6R0.6 COCCCC=O MCULE-2055914202 [2,0,0,0,0,0|1,0,1]=4 723 B6R0.6 CSCCCC=O MCULE-6353729217 [2,0,0,0,0,0|1,0,1]=4 724 B6R0.6 O=CCCCC=O MCULE-6802048757 [2,0,0,0,0,0|1,0,0]=3 725 B6R0.6 O=CCCCCCl MCULE-1257670284 [2,0,0,0,0,0|1,0,1]=4 726 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|1,0,1]=4 727 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [1,1,0,0,0,0|2,0,0]=4 728 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [1,1,0,0,0,0|2,0,0]=4 729 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,1,0,0,0,0|2,0,0]=4 730 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,1,0,0,0,0|2,0,0]=4 731 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,1,0,0,0,0|2,0,0]=4 732 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,1,0,0,0,0|2,0,0]=4 733 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,1,0,0,0,0|2,0,0]=4 734 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,1,0,0,0,0|2,0,0]=4 735 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,1,0,0,0,0|2,0,0]=4 736 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,1,0,0,0,0|2,0,0]=4 737 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,1,0,0,0,0|1,0,1]=4 738 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,1,0,0,0,0|1,0,1]=4 739 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,1,0,0,0,0|1,0,1]=4 740 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,1,0,0,0,0|2,0,0]=4 741 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,1,0,0,0,0|0,0,2]=4 742 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,1,0,0,0,0|0,0,2]=4 743 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,1,0,0,0,0|0,0,2]=4 744 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,1,0,0,0,0|0,0,2]=4 745 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,1,0,0,0,0|0,0,2]=4 746 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,1,0,0,0,0|0,0,2]=4 747 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,1,0,0,0,0|0,0,2]=4 748 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,1,0,0,0,0|0,0,2]=4 749 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,1,0,0,0,0|0,0,2]=4 750 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,1,0,0,0,0|0,0,2]=4 751 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,1,0,0,0,0|0,0,2]=4 752 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|0,0,0]=2 753 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|0,0,0]=2 754 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|0,0,0]=2 755 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|0,0,0]=2 756 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|0,0,0]=2 757 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|0,0,0]=2 758 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|0,0,0]=2 759 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|0,0,0]=2 760 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|0,0,0]=2 761 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|0,0,0]=2 762 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|0,0,0]=2 763 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|0,0,0]=2 764 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,1,0,0,0,0|0,0,2]=4 765 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|0,0,2]=4 766 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|0,0,2]=4 767 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|0,0,2]=4 768 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|0,0,2]=4 769 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|0,0,2]=4 770 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|0,0,2]=4 771 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|0,0,2]=4 772 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|0,0,2]=4 773 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|0,0,2]=4 774 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|0,0,2]=4 775 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|0,0,2]=4 776 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,1,0,0,0,0|1,0,1]=4 777 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,1,0,0,0,0|1,0,1]=4 778 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,1,0,0,0,0|1,0,1]=4 779 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,1,0,0,0,0|1,0,1]=4 780 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,1,0,0,0,0|1,0,1]=4 781 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,1,0,0,0,0|0,0,2]=4 782 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [1,1,0,0,0,0|0,0,2]=4 783 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,1,0,0,0,0|0,0,2]=4 784 B8R0.7 C=CCCCCB(O)O MCULE-5017277637 [1,1,0,0,0,0|1,0,1]=4 785 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,1,0,0,0,0|1,0,0]=3 786 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,1,0,0,0,0|0,0,0]=2 787 B8R0.7 C=CCCCCN(=O)=O MCULE-9629476544 [1,1,0,0,0,0|1,0,1]=4 788 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,1,0,0,0,0|1,0,0]=3 789 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,1,0,0,0,0|0,0,0]=2 790 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,1,0,0,0,0|0,0,0]=2 791 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [1,1,0,0,0,0|1,0,0]=3 792 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,1,0,0,0,0|0,0,0]=2 793 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,1,0,0,0,0|0,0,2]=4 794 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,1,0,0,0,0|2,0,0]=4 795 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,1,0,0,0,0|1,0,0]=3 796 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|0,0,0]=2 797 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,1,0,0,0,0|0,0,2]=4 798 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|0,0,2]=4 799 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,1,0,0,0,0|0,0,2]=4 800 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,1,0,0,0,0|0,0,2]=4 801 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|0,0,2]=4 802 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|0,0,2]=4 803 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,1,0,0,0,0|0,0,2]=4 804 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,1,0,0,0,0|0,0,2]=4 805 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,1,0,0,0,0|0,0,2]=4 806 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,1,0,0,0,0|0,0,2]=4 807 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,1,0,0,0,0|0,0,2]=4 808 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,1,0,0,0,0|0,0,2]=4 809 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,1,0,0,0,0|0,0,2]=4 810 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,1,0,0,0,0|1,0,1]=4 811 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|0,0,2]=4 812 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,1,0,0,0,0|1,0,1]=4 813 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,1,0,0,0,0|1,0,1]=4 814 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,1,0,0,0,0|1,0,1]=4 815 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,1,0,0,0,0|1,0,1]=4 816 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,1,0,0,0,0|0,0,2]=4 817 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,1,0,0,0,0|1,0,1]=4 818 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,1,0,0,0,0|1,0,1]=4 819 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,1,0,0,0,0|1,0,1]=4 820 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,1,0,0,0,0|1,0,1]=4 821 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,1,0,0,0,0|0,0,2]=4 822 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,1,0,0,0,0|1,0,1]=4 823 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [1,1,0,0,0,0|2,0,0]=4 824 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,1,0,0,0,0|0,0,2]=4 825 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,1,0,0,0,0|0,0,2]=4 826 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,1,0,0,0,0|1,0,1]=4 827 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,1,0,0,0,0|1,0,1]=4 828 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,1,0,0,0,0|1,0,1]=4 829 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,1,0,0,0,0|1,0,1]=4 830 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,1,0,0,0,0|1,0,1]=4 831 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,1,0,0,0,0|1,0,1]=4 832 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,1,0,0,0,0|1,0,1]=4 833 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,1,0,0,0,0|1,0,1]=4 834 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,1,0,0,0,0|1,0,1]=4 835 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,1,0,0,0,0|0,0,2]=4 836 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,1,0,0,0,0|0,0,2]=4 837 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,1,0,0,0,0|0,0,2]=4 838 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|0,0,2]=4 839 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,1,0,0,0,0|0,0,2]=4 840 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,1,0,0,0,0|1,0,1]=4 841 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,1,0,0,0,0|1,0,1]=4 842 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,1,0,0,0,0|1,0,1]=4 843 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,1,0,0,0,0|1,0,1]=4 844 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,1,0,0,0,0|1,0,1]=4 845 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,1,0,0,0,0|1,0,1]=4 846 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,1,0,0,0,0|0,0,1]=3 847 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,1,0,0,0,0|1,0,0]=3 848 B8R0.21 C=CCCCS(=O)(=O)Cl MCULE-5523963108 [1,1,0,0,0,0|1,0,1]=4 849 B8R0.21 C=CCCCS(=O)(=O)N MCULE-5103871040 [1,1,0,0,0,0|1,0,1]=4 850 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,1,0,0,0,0|0,0,0]=2 851 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,1,0,0,0,0|0,0,0]=2 852 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,1,0,0,0,0|0,0,0]=2 853 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,1,0,0,0,0|0,0,2]=4 854 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,1,0,0,0,0|1,0,1]=4 855 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,1,0,0,0,0|1,0,1]=4 856 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,1,0,0,0,0|0,0,1]=3 857 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,1,0,0,0,0|1,0,1]=4 858 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,1,0,0,0,0|1,0,1]=4 859 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,1,0,0,0,0|1,0,1]=4 860 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,1,0,0,0,0|0,0,2]=4 861 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,1,0,0,0,0|0,0,2]=4 862 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,1,0,0,0,0|1,0,1]=4 863 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,1,0,0,0,0|1,0,1]=4 864 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [1,1,0,0,0,0|2,0,0]=4 865 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [1,1,0,0,0,0|2,0,0]=4 866 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [1,1,0,0,0,0|2,0,0]=4 867 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [1,1,0,0,0,0|2,0,0]=4 868 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [1,1,0,0,0,0|2,0,0]=4 869 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,1,0,0,0,0|1,0,0]=3 870 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [1,1,0,0,0,0|2,0,0]=4 871 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [1,1,0,0,0,0|2,0,0]=4 872 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [1,1,0,0,0,0|2,0,0]=4 873 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,1,0,0,0,0|2,0,0]=4 874 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [1,1,0,0,0,0|2,0,0]=4 875 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [1,1,0,0,0,0|2,0,0]=4 876 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,1,0,0,0,0|1,0,0]=3 877 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,1,0,0,0,0|1,0,1]=4 878 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,1,0,0,0,0|2,0,0]=4 879 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,1,0,0,0,0|2,0,0]=4 880 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,1,0,0,0,0|2,0,0]=4 881 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,1,0,0,0,0|2,0,0]=4 882 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [1,1,0,0,0,0|1,0,1]=4 883 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [1,1,0,0,0,0|2,0,0]=4 884 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [1,1,0,0,0,0|2,0,0]=4 885 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,1,0,0,0,0|1,0,1]=4 886 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,1,0,0,0,0|1,0,1]=4 887 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,1,0,0,0,0|1,0,1]=4 888 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,1,0,0,0,0|1,0,1]=4 889 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,1,0,0,0,0|1,0,1]=4 890 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,1,0,0,0,0|1,0,1]=4 891 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,1,0,0,0,0|1,0,1]=4 892 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,1,0,0,0,0|1,0,1]=4 893 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,1,0,0,0,0|1,0,1]=4 894 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,1,0,0,0,0|1,0,1]=4 895 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,1,0,0,0,0|1,0,1]=4 896 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,1,0,0,0,0|1,0,1]=4 897 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,1,0,0,0,0|1,0,1]=4 898 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,1,0,0,0,0|1,0,1]=4 899 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,1,0,0,0,0|1,0,1]=4 900 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,1,0,0,0,0|1,0,1]=4 901 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [1,1,0,0,0,0|1,0,1]=4 902 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [1,1,0,0,0,0|1,0,1]=4 903 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [1,1,0,0,0,0|1,0,1]=4 904 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [1,1,0,0,0,0|1,0,1]=4 905 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [1,1,0,0,0,0|1,0,1]=4 906 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [1,1,0,0,0,0|1,0,1]=4 907 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [1,1,0,0,0,0|1,0,1]=4 909 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [1,1,0,0,0,0|1,0,1]=4 910 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,1,0,0,0,0|1,0,1]=4 911 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [1,1,0,0,0,0|1,0,1]=4 913 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,1,0,0,0,0|1,0,1]=4 914 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,1,0,0,0,0|1,0,1]=4 915 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,1,0,0,0,0|1,0,1]=4 916 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,1,0,0,0,0|1,0,1]=4 917 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [1,1,0,0,0,0|1,0,1]=4 918 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [1,1,0,0,0,0|1,0,1]=4 919 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,1,0,0,0,0|1,0,1]=4 920 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,1,0,0,0,0|1,0,1]=4 921 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,1,0,0,0,0|1,0,1]=4 922 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,1,0,0,0,0|1,0,1]=4 923 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [1,1,0,0,0,0|1,0,1]=4 924 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [1,1,0,0,0,0|1,0,1]=4 925 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [1,1,0,0,0,0|1,0,1]=4 926 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [1,1,0,0,0,0|1,0,1]=4 927 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,1,0,0,0,0|1,0,1]=4 929 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,1,0,0,0,0|1,0,1]=4 930 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,1,0,0,0,0|1,0,1]=4 931 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,1,0,0,0,0|1,0,1]=4 932 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [1,1,0,0,0,0|1,0,1]=4 933 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [1,1,0,0,0,0|1,0,1]=4 934 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [1,1,0,0,0,0|1,0,1]=4 935 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [1,1,0,0,0,0|1,0,1]=4 936 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,1,0,0,0,0|1,0,1]=4 937 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [1,1,0,0,0,0|1,0,1]=4 938 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [1,1,0,0,0,0|1,0,1]=4 939 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [1,1,0,0,0,0|1,0,1]=4 940 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [1,1,0,0,0,0|1,0,1]=4 941 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [1,1,0,0,0,0|2,0,0]=4 943 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [1,1,0,0,0,0|2,0,0]=4 944 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,1,0,0,0,0|1,0,1]=4 947 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,1,0,0,0,0|1,0,1]=4 948 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,1,0,0,0,0|1,0,1]=4 949 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,1,0,0,0,0|1,0,1]=4 950 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,1,0,0,0,0|1,0,1]=4 951 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,1,0,0,0,0|1,0,1]=4 954 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,1,0,0,0,0|1,0,1]=4 955 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,1,0,0,0,0|1,0,1]=4 956 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,1,0,0,0,0|1,0,1]=4 957 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,1,0,0,0,0|1,0,1]=4 958 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,1,0,0,0,0|1,0,1]=4 959 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,1,0,0,0,0|1,0,1]=4 960 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,1,0,0,0,0|1,0,1]=4 961 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,1,0,0,0,0|1,0,1]=4 962 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,1,0,0,0,0|1,0,1]=4 963 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,1,0,0,0,0|1,0,1]=4 966 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,1,0,0,0,0|2,0,0]=4 969 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,1,0,0,0,0|2,0,0]=4 970 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,1,0,0,0,0|2,0,0]=4 972 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,1,0,0,0,0|2,0,0]=4 973 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,1,0,0,0,0|2,0,0]=4 974 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,1,0,0,0,0|2,0,0]=4 975 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,1,0,0,0,0|2,0,0]=4 976 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [1,1,0,0,0,0|1,0,1]=4 977 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [1,1,0,0,0,0|0,0,1]=3 978 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [1,1,0,0,0,0|0,0,1]=3 979 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [1,1,0,0,0,0|1,0,1]=4 980 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [1,1,0,0,0,0|2,0,0]=4 982 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [1,1,0,0,0,0|2,0,0]=4 983 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [1,1,0,0,0,0|2,0,0]=4 984 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,1,0,0,1,0|1,0,0]=3 985 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,1,0,0,1,0|1,0,0]=3 986 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,1,0,0,1,0|1,0,1]=4 987 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,1,0,0,1,0|1,0,1]=4 988 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,1,0,0,1,0|1,0,1]=4 989 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,1,0,0,1,0|1,0,0]=3 990 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,1,0,0,1,0|0,0,0]=2 991 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,1,0,0,1,0|0,0,0]=2 992 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,1,0,0,1,0|1,0,0]=3 993 B10R0.3 O=C(O)CCNC(=O)C=CCl MCULE-6188251782 [0,1,0,0,0,1|1,0,1]=4 994 B10R0.59 C=CC(=O)NCCC(=O)OC MCULE-8444849082 [0,1,0,0,0,1|1,0,1]=4 995 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,0,1|2,0,0]=4 996 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,0,1|2,0,0]=4 997 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,0,1|2,0,0]=4 998 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,0,1|2,0,0]=4 999 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,0,1|2,0,0]=4 1000 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,0,1|2,0,0]=4 1001 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,0,1|1,0,0]=3 1002 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,0,1|1,0,0]=3 1003 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,0,1|1,0,0]=3 1004 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,0,1|1,0,0]=3 1005 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,0,1|1,0,0]=3 1006 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,0,1|1,0,0]=3 1007 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,0,1|1,0,0]=3 1008 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,0,1|1,0,0]=3 1009 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,0,1|1,0,0]=3 1010 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,0,1|1,0,0]=3 1011 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,0,1|2,0,0]=4 1012 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,0,1|2,0,0]=4 1013 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,2,0,0,0,0|1,0,1]=4 1014 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,2,0,0,0,0|1,0,0]=3 1015 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,2,0,0,0,0|1,0,0]=3 1016 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,2,0,0,0,0|1,0,0]=3 1017 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,2,0,0,0,0|1,0,0]=3 1018 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,2,0,0,0,0|1,0,0]=3 1019 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,2,0,0,0,0|1,0,0]=3 1020 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,2,0,0,0,0|2,0,0]=4 1021 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,2,0,0,0,0|2,0,0]=4 1022 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,2,0,0,0,0|1,0,1]=4 1023 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,2,0,0,0,0|2,0,0]=4 1024 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,2,0,0,0,0|1,0,0]=3 1025 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,2,0,0,0,0|1,0,0]=3 1026 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,2,0,0,0,0|2,0,0]=4 1027 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,2,0,0,0,0|1,0,0]=3 1028 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,2,0,0,0,0|1,0,0]=3 1029 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,2,0,0,0,0|2,0,0]=4 1030 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,2,0,0,0,0|1,0,0]=3 1031 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,2,0,0,0,0|1,0,0]=3 1032 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,2,0,0,0,0|2,0,0]=4 1033 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,2,0,0,0,0|1,0,0]=3 1034 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,2,0,0,0,0|1,0,1]=4 1035 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,2,0,0,0,0|2,0,0]=4 1036 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,2,0,0,0,0|2,0,0]=4 1037 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,2,0,0,0,0|2,0,0]=4 1038 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,2,0,0,0,0|2,0,0]=4 1039 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,2,0,0,0,0|2,0,0]=4 1040 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,2,0,0,0,0|2,0,0]=4 1041 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,2,0,0,0,0|2,0,0]=4 1042 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,2,0,0,0,0|2,0,0]=4 1043 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,2,0,0,0,0|2,0,0]=4 1044 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,2,0,0,0,0|2,0,0]=4 1045 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,2,0,0,0,0|1,0,0]=3 1046 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,2,0,0,0,0|1,0,0]=3 1047 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,2,0,0,0,0|1,0,0]=3 1048 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,2,0,0,0,0|2,0,0]=4 1049 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,2,0,0,0,0|2,0,0]=4 1050 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,2,0,0,0,0|1,0,0]=3 1051 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,2,0,0,0,0|1,0,0]=3 1052 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,2,0,0,0,0|1,0,0]=3 1053 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,2,0,0,0,0|1,0,0]=3 1054 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,2,0,0,0,0|1,0,0]=3 1055 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,2,0,0,0,0|1,0,0]=3 1056 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,2,0,0,0,0|1,0,0]=3 1057 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,2,0,0,0,0|1,0,0]=3 1058 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,2,0,0,0,0|1,0,0]=3 1059 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,2,0,0,0,0|1,0,0]=3 1060 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,2,0,0,0,0|1,0,0]=3 1061 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,2,0,0,0,0|1,0,0]=3 1062 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,2,0,0,0,0|1,0,0]=3 1063 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,2,0,0,0,0|1,0,0]=3 1064 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,2,0,0,0,0|1,0,0]=3 1065 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,2,0,0,0,0|1,0,0]=3 1066 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,2,0,0,0,0|1,0,0]=3 1067 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,2,0,0,0,0|1,0,0]=3 1068 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,2,0,0,0,0|1,0,0]=3 1069 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,2,0,0,0,0|1,0,0]=3 1070 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,2,0,0,0,0|1,0,0]=3 1071 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,2,0,0,0,0|1,0,0]=3 1072 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,2,0,0,0,0|1,0,0]=3 1073 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,2,0,0,0,0|1,0,0]=3 1074 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,2,0,0,0,0|2,0,0]=4 1075 B10R0.115 COC(=O)CCC(C)(C)C=O MCULE-2001568119 [0,2,0,0,0,0|2,0,0]=4 1076 B10R0.45 CCC(C=O)CCC(=O)OC MCULE-4740354662 [0,2,0,0,0,0|2,0,0]=4 1077 B10R0.26 C=CCS(=O)CC(N)C(=O)O MCULE-1644221115 [0,2,0,0,0,0|2,0,0]=4 1078 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-5403139844 [0,2,0,0,0,0|2,0,0]=4 1079 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-6091538783 [0,2,0,0,0,0|2,0,0]=4 1080 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-2127698614 [0,2,0,0,0,0|2,0,0]=4 1081 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-6116290976 [0,2,0,0,0,0|2,0,0]=4 1082 B10R0.26 CC=CS(=O)C[C@H](N)C(=O)O MCULE-4397511090 [0,2,0,0,0,0|2,0,0]=4 1083 B10R0.78 C=CCNC(=O)CCC(=O)O MCULE-9223729933 [0,2,0,0,0,0|1,0,1]=4 1084 B10R0.78 C=CCOC(=O)CCC(=O)O MCULE-8268614483 [0,2,0,0,0,0|1,0,1]=4 1085 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [0,2,0,0,0,0|0,0,2]=4 1086 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [0,2,0,0,0,0|0,0,2]=4 1087 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,2,0,0,0,0|1,0,1]=4 1088 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,2,0,0,0,0|1,0,1]=4 1089 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,2,0,0,0,0|1,0,1]=4 1090 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,2,0,0,0,0|1,0,1]=4 1091 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,2,0,0,0,0|1,0,1]=4 1092 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,2,0,0,0,0|1,0,1]=4 1093 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,2,0,0,0,0|1,0,1]=4 1094 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,2,0,0,0,0|1,0,1]=4 1095 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,2,0,0,0,0|1,0,1]=4 1096 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,2,0,0,0,0|1,0,1]=4 1097 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,2,0,0,0,0|1,0,1]=4 1098 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,2,0,0,0,0|0,0,1]=3 1099 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,2,0,0,0,0|0,0,1]=3 1100 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,2,0,0,0,0|0,0,1]=3 1101 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,2,0,0,0,0|0,0,1]=3 1102 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,2,0,0,0,0|0,0,1]=3 1103 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,2,0,0,0,0|0,0,1]=3 1104 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,2,0,0,0,0|0,0,1]=3 1105 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,2,0,0,0,0|0,0,1]=3 1106 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [1,0,0,1,0,0|1,0,1]=4 1107 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [1,0,0,1,0,0|1,0,1]=4 1108 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [1,0,0,1,0,0|1,0,1]=4 1109 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [1,0,0,1,0,0|0,0,0]=2 1110 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [1,0,0,1,0,0|2,0,0]=4 1111 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [1,0,0,1,0,0|2,0,0]=4 1112 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [1,0,0,1,0,0|2,0,0]=4 1113 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [1,0,0,1,0,0|2,0,0]=4 1114 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [1,0,0,1,0,0|2,0,0]=4 1115 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [1,0,0,1,0,0|1,0,0]=3 1116 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [1,0,0,1,0,0|1,0,0]=3 1117 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [1,0,0,1,0,0|1,0,0]=3 1118 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [1,0,0,1,0,0|1,0,0]=3 1119 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [1,0,0,1,0,0|0,0,2]=4 1120 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [1,0,0,1,0,0|1,0,1]=4 1121 B8R1.1 NC1C=CC(C1)CO MCULE-6409966211 [1,0,0,1,0,0|0,0,1]=3 1122 B8R1.1 NC1C=CC(C1)CO MCULE-9217183744 [1,0,0,1,0,0|0,0,1]=3 1123 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [1,0,0,1,0,0|1,0,1]=4 1124 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [1,0,0,1,0,0|1,0,1]=4 1125 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [1,0,0,1,0,0|1,0,1]=4 1126 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [1,0,0,1,0,0|1,0,1]=4 1127 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [1,0,0,1,0,0|1,0,1]=4 1128 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [1,0,0,1,0,0|1,0,1]=4 1129 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [1,0,0,1,0,0|1,0,1]=4 1130 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [1,0,0,1,0,0|1,0,1]=4 1131 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [1,0,0,1,0,0|1,0,1]=4 1132 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [1,0,0,1,0,0|1,0,1]=4 1133 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [1,0,0,1,0,0|1,0,1]=4 1134 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [1,0,0,1,0,0|1,0,1]=4 1135 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-6317024482 [1,0,0,1,0,0|0,0,1]=3 1136 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-7574782144 [1,0,0,1,0,0|0,0,1]=3 1137 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-7925480161 [1,0,0,1,0,0|0,0,1]=3 1138 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-8008829330 [1,0,0,1,0,0|0,0,1]=3 1139 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-3324290612 [1,0,0,1,0,0|0,0,1]=3 1140 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-3860506121 [1,0,0,1,0,0|0,0,1]=3 1141 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4118050926 [1,0,0,1,0,0|0,0,1]=3 1142 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4136002750 [1,0,0,1,0,0|0,0,1]=3 1143 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4159108338 [1,0,0,1,0,0|0,0,1]=3 1144 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [1,0,0,1,0,0|1,0,1]=4 1145 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [1,0,0,1,0,0|1,0,1]=4 1146 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [1,0,0,1,0,0|1,0,1]=4 1147 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [1,0,0,1,0,0|1,0,1]=4 1148 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [1,0,0,1,0,0|1,0,1]=4 1149 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [1,0,0,1,0,0|1,0,1]=4 1150 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [1,0,0,1,0,0|1,0,1]=4 1151 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [1,0,0,1,0,0|1,0,1]=4 1152 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [1,0,0,1,0,0|1,0,1]=4 1153 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [1,0,0,1,0,0|1,0,1]=4 1154 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [1,0,0,1,0,0|1,0,1]=4 1155 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [1,0,0,1,0,0|2,0,0]=4 1156 B8R1.1 [C@H]1(C=C[C@@H](C1)N)CO MCULE-5721231711 [1,0,0,1,0,0|0,0,1]=3 1157 B8R1.2 C=CC1CC=CCC1 MCULE-1027409234 [1,0,0,1,0,0|2,0,0]=4 1158 B8R1.2 C=CC1CCCCN1 MCULE-1327502475 [1,0,0,1,0,0|1,0,1]=4 1159 B8R1.2 C=CC1CCCCN1 MCULE-7059257921 [1,0,0,1,0,0|1,0,1]=4 1160 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [1,0,0,1,0,0|1,0,1]=4 1161 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [1,0,0,1,0,0|1,0,0]=3 1162 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [1,0,0,1,0,0|1,0,1]=4 1163 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [1,0,0,1,0,0|1,0,1]=4 1164 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [1,0,0,1,0,0|0,0,2]=4 1165 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [1,0,0,1,0,0|0,0,2]=4 1166 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [1,0,0,1,0,0|1,0,1]=4 1167 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [1,0,0,1,0,0|1,0,1]=4 1168 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [1,0,0,1,0,0|1,0,1]=4 1169 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [1,0,0,1,0,0|1,0,1]=4 1170 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [1,0,0,1,0,0|1,0,1]=4 1171 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [1,0,0,1,0,0|1,0,1]=4 1172 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [1,0,0,1,0,0|1,0,1]=4 1173 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [1,0,0,1,0,0|1,0,1]=4 1174 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [1,0,0,1,0,0|1,0,1]=4 1175 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [1,0,0,1,0,0|1,0,1]=4 1176 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [1,0,0,1,0,0|1,0,1]=4 1177 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [1,0,0,1,0,0|1,0,1]=4 1178 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [1,0,0,1,0,0|1,0,1]=4 1179 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [1,0,0,1,0,0|2,0,0]=4 1180 B8R1.3 O[C@@H]1C=C[C@H](CC1)O MCULE-6358884039 [1,0,0,1,0,0|1,0,1]=4 1181 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-2727087872 [1,0,0,1,0,0|1,0,1]=4 1182 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-9017888653 [1,0,0,1,0,0|1,0,1]=4 1183 B8R1.5 C=C1COCCC1N MCULE-4966385224 [1,0,0,1,0,0|2,0,0]=4 1184 B8R1.22 NC1C=CCCCC1 MCULE-4893389838 [1,0,0,1,0,0|1,0,1]=4 1185 B8R1.38 C=CC(N)C1CCC1 MCULE-3645428001 [1,0,0,1,0,0|1,0,1]=4 1186 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [1,0,0,1,0,0|2,0,0]=4 1187 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [1,0,0,1,0,0|2,0,0]=4 1188 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [1,0,0,1,0,0|2,0,0]=4 1189 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [1,0,0,1,0,0|2,0,0]=4 1190 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [1,0,0,1,0,0|2,0,0]=4 1191 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [1,0,0,1,0,0|0,0,0]=2 1192 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [1,0,0,1,0,0|1,0,1]=4 1193 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [1,0,0,1,0,0|0,0,2]=4 1194 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|0,0,2]=4 1195 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|0,0,2]=4 1196 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|0,0,2]=4 1197 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [1,0,0,1,0,0|2,0,0]=4 1198 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [1,0,0,1,0,0|2,0,0]=4 1199 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [1,0,0,1,0,0|2,0,0]=4 1200 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [1,0,0,1,0,0|2,0,0]=4 1201 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [1,0,0,1,0,0|2,0,0]=4 1202 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [1,0,0,1,0,0|2,0,0]=4 1203 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [1,0,0,1,0,0|2,0,0]=4 1204 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [1,0,0,1,0,0|1,0,0]=3 1205 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,0,0,1,0,0|2,0,0]=4 1206 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [1,0,0,1,0,0|2,0,0]=4 1207 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [1,0,0,1,0,0|2,0,0]=4 1208 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|1,0,1]=4 1209 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|1,0,1]=4 1210 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|1,0,1]=4 1211 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [1,0,0,1,0,0|2,0,0]=4 1212 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [1,0,0,1,0,0|2,0,0]=4 1213 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [1,0,0,1,0,0|2,0,0]=4 1214 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [1,0,0,1,0,0|2,0,0]=4 1215 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [1,0,0,1,0,0|2,0,0]=4 1216 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,1,0,0|0,0,2]=4 1217 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,1,0,0|1,0,1]=4 1218 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|0,0,0]=2 1219 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,1,0,0|1,0,0]=3 1220 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,1,0,0|1,0,0]=3 1221 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,1,0,0|1,0,0]=3 1222 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,1,0,0|1,0,0]=3 1223 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,1,0,0|1,0,0]=3 1224 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,1,0,0|0,0,2]=4 1225 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|1,0,0]=3 1226 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|0,0,2]=4 1227 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|1,0,1]=4 1228 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|1,0,1]=4 1229 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|1,0,1]=4 1230 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|1,0,1]=4 1231 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|1,0,1]=4 1232 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|1,0,1]=4 1233 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,1,0,0|1,0,1]=4 1234 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|1,0,1]=4 1235 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|1,0,1]=4 1236 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|1,0,1]=4 1237 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|1,0,1]=4 1238 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|1,0,1]=4 1239 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,1,0,0|1,0,0]=3 1240 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,1,0,0|1,0,0]=3 1241 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,1,0,0|1,0,0]=3 1242 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,1,0,0|1,0,0]=3 1243 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|1,0,1]=4 1244 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|1,0,1]=4 1245 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|1,0,1]=4 1246 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|1,0,1]=4 1247 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|1,0,1]=4 1248 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|1,0,1]=4 1249 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|1,0,1]=4 1250 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|1,0,1]=4 1251 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|1,0,1]=4 1252 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|1,0,1]=4 1253 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|1,0,1]=4 1254 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|1,0,1]=4 1255 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,1,0,0|1,0,0]=3 1256 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,1,0,0|1,0,0]=3 1257 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,1,0,0|1,0,0]=3 1258 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|1,0,1]=4 1259 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|1,0,1]=4 1260 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|1,0,1]=4 1261 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|1,0,1]=4 1262 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|1,0,1]=4 1263 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|1,0,1]=4 1264 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|1,0,1]=4 1265 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|1,0,1]=4 1266 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|1,0,1]=4 1267 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|1,0,1]=4 1268 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [1,0,0,1,0,0|1,0,1]=4 1269 B8R1.19 C=C1CCCS1(=O)=O MCULE-5480529825 [1,0,0,1,0,0|1,0,1]=4 1270 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|0,0,2]=4 1271 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [1,0,0,1,0,0|1,0,1]=4 1272 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [1,0,0,1,0,0|0,0,0]=2 1273 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|0,0,2]=4 1274 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [1,0,0,1,0,0|1,0,1]=4 1275 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [1,0,0,1,0,0|1,0,1]=4 1276 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [1,0,0,1,0,0|1,0,1]=4 1277 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [1,0,0,1,0,0|1,0,1]=4 1278 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [1,0,0,1,0,0|1,0,1]=4 1279 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [1,0,0,1,0,0|1,0,1]=4 1280 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [1,0,0,1,0,0|1,0,1]=4 1281 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [1,0,0,1,0,0|1,0,1]=4 1282 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [1,0,0,1,0,0|1,0,1]=4 1283 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [1,0,0,1,0,0|1,0,1]=4 1284 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [1,0,0,1,0,0|1,0,1]=4 1285 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [1,0,0,1,0,0|1,0,1]=4 1286 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [1,0,0,1,0,0|1,0,1]=4 1287 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [1,0,0,1,0,0|1,0,1]=4 1288 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [1,0,0,1,0,0|1,0,1]=4 1289 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [1,0,0,1,0,0|1,0,1]=4 1290 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [1,0,0,1,0,0|1,0,1]=4 1291 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [1,0,0,1,0,0|1,0,1]=4 1292 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|1,0,1]=4 1293 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|1,0,1]=4 1294 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|1,0,1]=4 1295 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [1,0,0,1,0,0|1,0,1]=4 1296 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [1,0,0,1,0,0|1,0,1]=4 1297 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [1,0,0,1,0,0|1,0,1]=4 1298 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [1,0,0,1,0,0|1,0,1]=4 1299 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|0,0,2]=4 1300 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [1,0,0,1,0,0|1,0,1]=4 1301 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|1,0,1]=4 1302 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [1,0,0,1,0,0|1,0,1]=4 1303 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [1,0,0,1,0,0|1,0,1]=4 1304 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [1,0,0,1,0,0|1,0,1]=4 1305 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [1,0,0,1,0,0|1,0,1]=4 1306 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [1,0,0,1,0,0|1,0,1]=4 1307 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [1,0,0,1,0,0|0,0,2]=4 1308 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|1,0,1]=4 1309 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [1,0,0,1,0,0|2,0,0]=4 1310 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [1,0,0,1,0,0|0,0,2]=4 1311 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [1,0,0,1,0,0|0,0,2]=4 1312 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [1,0,0,1,0,0|0,0,2]=4 1313 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [1,0,0,1,0,0|0,0,2]=4 1314 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [1,0,0,1,0,0|0,0,2]=4 1315 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [1,0,0,1,0,0|0,0,0]=2 1316 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [1,0,0,1,0,0|0,0,0]=2 1317 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|0,0,2]=4 1318 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|0,0,2]=4 1319 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [1,0,0,1,0,0|1,0,1]=4 1320 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [1,0,0,1,0,0|1,0,1]=4 1321 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [1,0,0,1,0,0|1,0,1]=4 1322 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [1,0,0,1,0,0|1,0,1]=4 1323 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [1,0,0,1,0,0|1,0,1]=4 1324 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [1,0,0,1,0,0|1,0,1]=4 1325 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,0,0,1,0,0|1,0,1]=4 1326 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,0,0,1,0,0|1,0,1]=4 1327 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,0,0,1,0,0|1,0,1]=4 1328 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,0,0,1,0,0|1,0,1]=4 1329 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,0,0,1,0,0|1,0,1]=4 1330 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|1,0,1]=4 1331 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,0,0,1,0,0|1,0,1]=4 1332 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|1,0,1]=4 1333 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|1,0,1]=4 1334 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [1,0,0,1,0,0|1,0,1]=4 1335 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [1,0,0,1,0,0|1,0,1]=4 1336 B8R1.72 O=S1(=O)C=CCCC1 MCULE-1954116946 [1,0,0,1,0,0|1,0,1]=4 1337 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [1,0,0,1,0,0|1,0,1]=4 1338 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [1,0,0,1,0,0|1,0,1]=4 1339 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,1,0,0|1,0,1]=4 1340 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|0,0,1]=3 1341 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|0,0,1]=3 1342 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,1,0,0|1,0,1]=4 1343 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,1,0,0|1,0,1]=4 1344 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|0,0,1]=3 1345 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [1,0,0,1,0,0|1,0,1]=4 1346 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [1,0,0,1,0,0|1,0,1]=4 1347 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [1,0,0,1,0,0|0,0,1]=3 1348 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [1,0,0,1,0,0|0,0,1]=3 1349 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [1,0,0,1,0,0|0,0,1]=3 1350 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [1,0,0,1,0,0|0,0,1]=3 1351 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [1,0,0,1,0,0|0,0,1]=3 1352 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [1,0,0,1,0,0|0,0,1]=3 1353 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [1,0,0,1,0,0|1,0,1]=4 1354 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [1,0,0,1,0,0|1,0,1]=4 1355 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [1,0,0,1,0,0|1,0,1]=4 1356 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [1,0,0,1,0,0|1,0,1]=4 1357 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [1,0,0,1,0,0|1,0,1]=4 1358 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [1,0,0,1,0,0|1,0,1]=4 1359 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [1,0,0,1,0,0|1,0,1]=4 1360 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [1,0,0,1,0,0|1,0,1]=4 1361 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [1,0,0,1,0,0|1,0,1]=4 1362 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [1,0,0,1,0,0|1,0,1]=4 1363 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [1,0,0,1,0,0|1,0,1]=4 1364 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [1,0,0,1,0,0|1,0,1]=4 1365 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [1,0,0,1,0,0|1,0,1]=4 1366 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [1,0,0,1,0,0|1,0,1]=4 1367 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [1,0,0,1,0,0|1,0,1]=4 1368 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [1,0,0,1,0,0|1,0,1]=4 1369 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [1,0,0,1,0,0|1,0,1]=4 1370 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [1,0,0,1,0,0|1,0,1]=4 1371 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [1,0,0,1,0,0|1,0,1]=4 1372 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [1,0,0,1,0,0|1,0,1]=4 1373 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [1,0,0,1,0,0|1,0,1]=4 1374 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [1,0,0,1,0,0|1,0,1]=4 1375 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [1,0,0,1,0,0|2,0,0]=4 1376 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [1,0,0,1,0,0|2,0,0]=4 1377 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [1,0,0,1,0,0|2,0,0]=4 1378 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [1,0,0,1,0,0|2,0,0]=4 1379 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [1,0,0,1,0,0|2,0,0]=4 1380 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [1,0,0,1,0,0|2,0,0]=4 1381 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [1,0,0,1,0,0|2,0,0]=4 1382 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [1,0,0,1,0,0|2,0,0]=4 1383 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [1,0,0,1,0,0|2,0,0]=4 1384 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,1,1,0|2,0,0]=4 1385 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,1,1,0|2,0,0]=4 1386 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,1,1,0|2,0,0]=4 1387 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,1,1,0|2,0,0]=4 1388 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,1,0|1,0,0]=3 1389 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,1,0|1,0,0]=3 1390 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,1,1,0|2,0,0]=4 1391 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,1,1,0|2,0,0]=4 1392 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,1,0|1,0,0]=3 1393 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,1,0|1,0,0]=3 1394 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,1,0|1,0,0]=3 1395 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,1,0|1,0,0]=3 1396 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,1,1,0|2,0,0]=4 1397 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,1,1,0|2,0,0]=4 1398 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,1,0|1,0,0]=3 1399 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,1,0|1,0,0]=3 1400 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,1,1,0|0,0,2]=4 1401 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,1,1,0|0,0,2]=4 1402 B8R1.62 C=CC1(CC(=O)N1)C MCULE-1120869395 [0,0,0,1,1,0|2,0,0]=4 1403 B10R1.13 CC1CC=C(CC1)C(=O)O MCULE-7341526311 [0,0,0,1,0,1|1,0,1]=4 1404 B10R1.13 NC1CC=C(CC1)C(=O)O MCULE-8027933659 [0,0,0,1,0,1|0,0,1]=3 1405 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,0,0,1,0,1|0,0,2]=4 1406 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,0,0,1,0,1|0,0,2]=4 1407 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,0,0,1,0,1|0,0,2]=4 1408 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,0,0,1,0,1|0,0,2]=4 1409 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,0,0,1,0,1|0,0,2]=4 1410 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,0,0,1,0,1|0,0,2]=4 1411 B10R1.31 C1(NC(CS1)C(=O)O)CC MCULE-6124427567 [0,0,0,1,0,1|0,0,2]=4 1412 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9089135115 [0,0,0,1,0,1|0,0,2]=4 1413 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9951781675 [0,0,0,1,0,1|0,0,2]=4 1414 B10R1.31 CCC1NC(CS1)C(=O)O MCULE-2037916598 [0,0,0,1,0,1|0,0,2]=4 1415 B10R1.54 CC(=O)OC1C=CC(C1)O MCULE-6689209340 [0,0,0,1,0,1|2,0,0]=4 1416 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](C1)O MCULE-7020670709 [0,0,0,1,0,1|2,0,0]=4 1417 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](C1)O MCULE-9136558773 [0,0,0,1,0,1|2,0,0]=4 1418 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](C1)O MCULE-3237879509 [0,0,0,1,0,1|2,0,0]=4 1419 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](C1)O MCULE-4684454825 [0,0,0,1,0,1|2,0,0]=4 1420 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](C1)O MCULE-7756903175 [0,0,0,1,0,1|2,0,0]=4 1421 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](C1)O MCULE-8920693523 [0,0,0,1,0,1|2,0,0]=4 1422 B10R1.54 CC(=O)O[C@H]1C=C[C@H](C1)O MCULE-2981517362 [0,0,0,1,0,1|2,0,0]=4 1423 B10R1.54 CC(=O)O[C@H]1C=C[C@H](C1)O MCULE-5260414695 [0,0,0,1,0,1|2,0,0]=4 1424 B10R1.54 CN1C=CN(C1)CC(=O)O MCULE-7948017815 [0,0,0,1,0,1|2,0,0]=4 1425 B10R1.54 CN1C=C[NH+](C1)CC(=O)O MCULE-8710378528 [0,0,0,1,0,1|2,0,0]=4 1426 B10R1.54 NC1=NN(C=C1)CC(=O)O MCULE-2354372151 [0,0,0,1,0,1|1,0,1]=4 1427 B10R1.54 NC1=NN(C=C1)CC(=O)O MCULE-8633925365 [0,0,0,1,0,1|1,0,1]=4 1428 B10R1.54 NC1CCN(C1)CC(=O)O MCULE-5943171118 [0,0,0,1,0,1|0,0,2]=4 1429 B10R1.54 NC1CCN(C1)CC(=O)O MCULE-9229773679 [0,0,0,1,0,1|0,0,2]=4 1430 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-2161728364 [0,0,0,1,0,1|0,0,2]=4 1431 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-8593996404 [0,0,0,1,0,1|0,0,2]=4 1432 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-8985734275 [0,0,0,1,0,1|0,0,2]=4 1433 B10R1.54 N[C@H]1CCN(C1)CC(=O)O MCULE-1503909439 [0,0,0,1,0,1|0,0,2]=4 1434 B10R1.54 N[C@H]1CCN(C1)CC(=O)O MCULE-6977922157 [0,0,0,1,0,1|0,0,2]=4 1435 B10R1.54 [C@H]1(C=C[C@@H](C1)OC(=O)C)O MCULE-8509096456 [0,0,0,1,0,1|2,0,0]=4 1436 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,1,0,1,0,0|0,0,2]=4 1437 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,1,0,1,0,0|0,0,2]=4 1438 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,1,0,1,0,0|2,0,0]=4 1439 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,1,0,1,0,0|2,0,0]=4 1440 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,1,0,1,0,0|2,0,0]=4 1441 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,1,0,1,0,0|2,0,0]=4 1442 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,1,0,1,0,0|2,0,0]=4 1443 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-1760692606 [0,1,0,1,0,0|0,0,2]=4 1444 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-6477382898 [0,1,0,1,0,0|0,0,2]=4 1445 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-1367965106 [0,1,0,1,0,0|0,0,2]=4 1446 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-5181157821 [0,1,0,1,0,0|0,0,2]=4 1447 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-9629419450 [0,1,0,1,0,0|0,0,2]=4 1448 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1255189062 [0,1,0,1,0,0|0,0,2]=4 1449 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1573159970 [0,1,0,1,0,0|0,0,2]=4 1450 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-3597897261 [0,1,0,1,0,0|0,0,2]=4 1451 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-5950701932 [0,1,0,1,0,0|0,0,2]=4 1452 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-6764578128 [0,1,0,1,0,0|0,0,2]=4 1453 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-8635317976 [0,1,0,1,0,0|0,0,2]=4 1454 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-2623468295 [0,1,0,1,0,0|0,0,2]=4 1455 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-4157898594 [0,1,0,1,0,0|0,0,2]=4 1456 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8831652749 [0,1,0,1,0,0|0,0,2]=4 1457 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8994723547 [0,1,0,1,0,0|0,0,2]=4 1458 B10R1.190 C=C1CC1CC(=O)C(=O)O MCULE-1169611562 [0,1,0,1,0,0|1,0,1]=4 1459 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,1,0,1,0,0|2,0,0]=4 1460 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,1,0,1,0,0|1,0,0]=3 1461 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,1,0,1,0,0|2,0,0]=4 1462 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,1,0,1,0,0|2,0,0]=4 1463 B10R1.360 C=C(C)C1(CC1C(=O)O)C MCULE-5145834120 [0,1,0,1,0,0|1,0,0]=3 1464 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,1,0,1,0,0|2,0,0]=4 1465 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,1,0,0|2,0,0]=4 1466 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-5009717504 [0,1,0,1,0,0|0,0,2]=4 1467 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-6646895058 [0,1,0,1,0,0|0,0,2]=4 1468 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-1564321784 [0,1,0,1,0,0|0,0,2]=4 1469 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-3542104690 [0,1,0,1,0,0|0,0,2]=4 1470 B10R1.152 COC(=O)CCC1(CC1)N MCULE-7127633995 [0,1,0,1,0,0|0,0,2]=4 1471 B10R1.152 COC(=O)CCC1(CC1)N MCULE-7875234920 [0,1,0,1,0,0|0,0,2]=4 1472 B10R1.25 CNC1CCC(=O)NC1=O MCULE-2479123541 [0,1,0,1,0,0|2,0,0]=4 1473 B10R1.25 CNC1CCC(=O)NC1=O MCULE-9198191101 [0,1,0,1,0,0|2,0,0]=4 1474 B10R1.64 NC1=CC=NN1CC(=O)O MCULE-3301623347 [0,1,0,1,0,0|1,0,1]=4 1475 B10R1.64 NC1=CC=NN1CC(=O)O MCULE-9085122231 [0,1,0,1,0,0|1,0,1]=4 1476 B10R1.64 NC1CCCC1CC(=O)O MCULE-7275948763 [0,1,0,1,0,0|0,0,2]=4 1477 B10R1.64 NC1CCCC1CC(=O)O MCULE-7852876693 [0,1,0,1,0,0|0,0,2]=4 1478 B10R1.119 CN1C(=O)CCC(C1=O)N MCULE-4040676144 [0,1,0,1,0,0|2,0,0]=4 1479 B10R1.119 CN1C(=O)CCC(C1=O)N MCULE-8025424109 [0,1,0,1,0,0|2,0,0]=4 1480 B10R1.169 COC(=O)C1CC(C1)C=O MCULE-7168582489 [0,1,0,1,0,0|2,0,0]=4 1481 B10R1.169 COC(=O)[C@H]1C[C@@H](C1)C=O MCULE-8013172723 [0,1,0,1,0,0|2,0,0]=4 1482 B10R1.169 COC(=O)[C@H]1C[C@H](C1)C=O MCULE-5167943772 [0,1,0,1,0,0|2,0,0]=4 1483 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-4541003412 [0,1,0,1,0,0|2,0,0]=4 1484 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-8292642254 [0,1,0,1,0,0|2,0,0]=4 1485 B10R1.63 CC1(CCC(=O)OC1=O)C MCULE-6269757190 [0,1,0,1,0,0|2,0,0]=4 1486 B10R1.63 O=C1CCC(C(=O)O1)(F)F MCULE-7729346267 [0,1,0,1,0,0|2,0,0]=4 1487 B10R1.113 NC1C=CC=C(C1)C(=O)O MCULE-1587288561 [0,1,0,1,0,0|0,0,1]=3 1488 B10R1.113 NC1C=CC=C(C1)C(=O)O MCULE-8061268006 [0,1,0,1,0,0|0,0,1]=3 1489 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-4308750395 [0,1,0,1,0,0|0,0,0]=2 1490 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-5984594154 [0,1,0,1,0,0|0,0,0]=2 1491 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,1,0,1,0,0|0,0,2]=4 1492 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,1,0,1,0,0|0,0,2]=4 1493 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,1,0,1,0,0|0,0,2]=4 1494 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,1,0,1,0,0|0,0,2]=4 1495 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-5349723370 [0,1,0,1,0,0|0,0,0]=2 1496 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-8912699325 [0,1,0,1,0,0|0,0,0]=2 1497 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,1,0,1,0,0|0,0,2]=4 1498 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,1,0,1,0,0|0,0,2]=4 1499 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,1,0,1,0,0|0,0,2]=4 1500 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,1,0,1,0,0|0,0,2]=4 1501 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,1,0,1,0,0|0,0,2]=4 1502 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,1,0,1,0,0|0,0,2]=4 1503 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,1,0,1,0,0|0,0,2]=4 1504 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,1,0,1,0,0|0,0,2]=4 1505 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,1,0,1,0,0|0,0,2]=4 1506 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,1,0,1,0,0|0,0,2]=4 1507 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-1166952810 [0,1,0,1,0,0|0,0,0]=2 1508 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-4761766781 [0,1,0,1,0,0|0,0,0]=2 1509 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,1,0,1,0,0|0,0,2]=4 1510 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,1,0,1,0,0|0,0,2]=4 1511 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,1,0,1,0,0|0,0,2]=4 1512 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,1,0,1,0,0|0,0,2]=4 1513 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,1,0,1,0,0|0,0,2]=4 1514 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,1,0,1,0,0|0,0,2]=4 1515 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,1,0,1,0,0|0,0,2]=4 1516 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,1,0,1,0,0|0,0,2]=4 1517 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,1,0,1,0,0|0,0,2]=4 1518 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,1,0,1,0,0|0,0,2]=4 1519 B10R1.113 O=C(O)[C@@H]1CC=C[C@@H](C1)O MCULE-3205925226 [0,1,0,1,0,0|1,0,0]=3 1520 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,1,0,1,0,0|1,0,1]=4 1521 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,1,0,1,0,0|0,0,2]=4 1522 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,1,0,1,0,0|0,0,2]=4 1523 B10R1.118 CC1CC(C(=O)OC1=O)C MCULE-3189541422 [0,1,0,1,0,0|2,0,0]=4 1524 B10R1.118 C[C@H]1C[C@H](C(=O)OC1=O)C MCULE-1917070122 [0,1,0,1,0,0|2,0,0]=4 1525 B10R1.118 O=C1OC(=O)C(CC1Br)Br MCULE-3901175637 [0,1,0,1,0,0|2,0,0]=4 1526 B10R1.66 O=C(O)CCC1=CC=CN1 MCULE-8495580718 [0,1,0,1,0,0|0,0,1]=3 1527 B10R1.66 O=C(O)CCC1=CC=CO1 MCULE-3535606082 [0,1,0,1,0,0|1,0,1]=4 1528 B10R1.66 O=C(O)CCC1=CC=CS1 MCULE-3548538547 [0,1,0,1,0,0|1,0,1]=4 1529 B10R1.66 O=C(O)CCC1=CC=NO1 MCULE-2698728972 [0,1,0,1,0,0|0,0,2]=4 1530 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-2668820713 [0,1,0,1,0,0|1,0,1]=4 1531 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-7272215073 [0,1,0,1,0,0|1,0,1]=4 1532 B10R1.66 O=C(O)CCC1=CNC=C1 MCULE-9116858435 [0,1,0,1,0,0|0,0,1]=3 1533 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-3618491840 [0,1,0,1,0,0|0,0,2]=4 1534 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-8133590347 [0,1,0,1,0,0|0,0,2]=4 1535 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-1705333891 [0,1,0,1,0,0|1,0,1]=4 1536 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-4996856052 [0,1,0,1,0,0|1,0,1]=4 1537 B10R1.66 O=C(O)CCC1=COC=C1 MCULE-6225332803 [0,1,0,1,0,0|1,0,1]=4 1538 B10R1.66 O=C(O)CCC1=CSC=C1 MCULE-5919306548 [0,1,0,1,0,0|1,0,1]=4 1539 B10R1.66 O=C(O)CCC1=CSC=N1 MCULE-3188158342 [0,1,0,1,0,0|0,0,2]=4 1540 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8831721107 [0,1,0,1,0,0|0,0,1]=3 1541 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8898977198 [0,1,0,1,0,0|0,0,1]=3 1542 B10R1.66 O=C(O)CCC1=NC=CO1 MCULE-8621379865 [0,1,0,1,0,0|0,0,2]=4 1543 B10R1.66 O=C(O)CCC1=NC=CS1 MCULE-2473180013 [0,1,0,1,0,0|0,0,2]=4 1544 B10R1.66 O=C(O)CCC1=NN=CN1 MCULE-9236882970 [0,1,0,1,0,0|1,0,1]=4 1545 B10R1.66 O=C(O)CCC1=NOC=C1 MCULE-7542127444 [0,1,0,1,0,0|0,0,2]=4 1546 B10R1.66 O=C(O)CCC1CCCN1 MCULE-2613608732 [0,1,0,1,0,0|0,0,2]=4 1547 B10R1.66 O=C(O)CCC1CCCN1 MCULE-8814917549 [0,1,0,1,0,0|0,0,2]=4 1548 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8082069026 [0,1,0,1,0,0|0,0,2]=4 1549 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8359539011 [0,1,0,1,0,0|0,0,2]=4 1550 B10R1.66 O=C(O)CCN1C=CC=C1 MCULE-8640172862 [0,1,0,1,0,0|2,0,0]=4 1551 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-3245420562 [0,1,0,1,0,0|1,0,1]=4 1552 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-7345461411 [0,1,0,1,0,0|1,0,1]=4 1553 B10R1.66 O=C(O)CCN1C=CN=C1 MCULE-9380136310 [0,1,0,1,0,0|1,0,1]=4 1554 B10R1.66 O=C(O)CCN1C=CN=N1 MCULE-4035524586 [0,1,0,1,0,0|1,0,1]=4 1555 B10R1.66 O=C(O)CCN1C=CN=N1 MCULE-9295640009 [0,1,0,1,0,0|1,0,1]=4 1556 B10R1.66 O=C(O)CCN1C=C[NH+]=C1 MCULE-7376823159 [0,1,0,1,0,0|1,0,1]=4 1557 B10R1.66 O=C(O)CCN1C=NC=N1 MCULE-5526368399 [0,1,0,1,0,0|1,0,1]=4 1558 B10R1.66 O=C(O)CC[C@@H]1CCCN1 MCULE-9918992229 [0,1,0,1,0,0|0,0,2]=4 1559 B10R1.66 O=C(O)CNC1=NNC=C1 MCULE-8140407014 [0,1,0,1,0,0|1,0,1]=4 1560 B10R1.1 C=CCC1C=CC(=O)CC1 MCULE-6892776490 [0,1,0,1,0,0|2,0,0]=4 1561 B10R1.59 CC1CC(C(=O)O1)C(=O)O MCULE-5538965549 [0,1,0,1,0,0|2,0,0]=4 1562 B10R1.59 CN1CC(CC1C(=O)O)N MCULE-7362090633 [0,1,0,1,0,0|0,0,2]=4 1563 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N MCULE-7565756526 [0,1,0,1,0,0|0,0,2]=4 1564 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N MCULE-8931908939 [0,1,0,1,0,0|0,0,2]=4 1565 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [0,1,0,1,0,0|1,0,1]=4 1566 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,1,0|1,0,1]=4 1567 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,1,0|1,0,1]=4 1568 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,0,0,0,1,0|1,0,1]=4 1569 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,0,0,0,1,0|1,0,1]=4 1570 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,0,0,0,1,0|1,0,1]=4 1571 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,0,0,0,1,0|1,0,1]=4 1572 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,0,0,1,0|1,0,1]=4 1573 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,0,0,1,0|1,0,1]=4 1574 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,0,0,1,0|1,0,1]=4 1575 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,0,0,1,0|1,0,1]=4 1576 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,0,0,0,1,0|1,0,1]=4 1577 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,0,0,0,1,0|1,0,1]=4 1578 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,0,0,1,0|0,0,1]=3 1579 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,0,0,1,0|0,0,1]=3 1580 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,0,0,1,0|0,0,1]=3 1581 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,0,0,1,0|0,0,1]=3 1582 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,1,0|1,0,1]=4 1583 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,1,0|1,0,1]=4 1584 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,0,0,1,0|0,0,1]=3 1585 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,0,0,1,0|0,0,1]=3 1586 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,0,0,1,0|0,0,1]=3 1587 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,0,0,1,0|0,0,1]=3 1588 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,1,0|1,0,1]=4 1589 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,1,0|1,0,1]=4 1590 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,0,0,1,0|1,0,1]=4 1591 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,0,0,1,0|1,0,1]=4 1592 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,0,0,1,0|0,0,1]=3 1593 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,0,0,1,0|0,0,1]=3 1594 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,0,0,1,0|0,0,1]=3 1595 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,0,0,1,0|0,0,1]=3 1596 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,1,0|1,0,1]=4 1597 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,1,0|1,0,1]=4 1598 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,1,0|1,0,1]=4 1599 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,0,0,0,1,0|1,0,0]=3 1600 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,0,0,0,1,0|1,0,0]=3 1601 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,0,0,0,1,0|2,0,0]=4 1602 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,0,0,0,2,0|1,0,1]=4 1603 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,2,0|1,0,0]=3 1604 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,2,0|0,0,0]=2 1605 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,2,0|0,0,0]=2 1606 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,2,0|0,0,0]=2 1607 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,2,0|0,0,0]=2 1608 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,2,0|1,0,0]=3 1609 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,2,0|1,0,0]=3 1610 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,2,0|0,0,0]=2 1611 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,2,0|0,0,0]=2 1612 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,2,0|0,0,0]=2 1613 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,2,0|1,0,0]=3 1614 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,2,0|1,0,0]=3 1615 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,2,0|1,0,0]=3 1616 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,2,0|0,0,0]=2 1617 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,2,0|0,0,0]=2 1618 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,2,0|0,0,0]=2 1619 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,2,0|0,0,0]=2 1620 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,0,0,2,0|0,0,2]=4 1621 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,0,0,2,0|0,0,2]=4 1622 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,0,0,2,0|0,0,2]=4 1623 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,0,0,2,0|0,0,2]=4 1624 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,0,0,2,0|0,0,2]=4 1625 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,0,0,2,0|0,0,2]=4 1626 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,0,0,2,0|0,0,2]=4 1627 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,0,0,2,0|0,0,2]=4 1628 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,0,0,2,0|0,0,2]=4 1629 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,0,0,2,0|0,0,2]=4 1630 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,0,0,2,0|0,0,2]=4 1631 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,0,0,2,0|0,0,2]=4 1632 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,0,0,2,0|1,0,1]=4 1633 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,0,0,2,0|1,0,1]=4 1634 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,0,0,2,0|1,0,1]=4 1635 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,2,0|1,0,1]=4 1636 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,0,0,2,0|1,0,1]=4 1637 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,0,0,2,0|1,0,1]=4 1638 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,0,0,2,0|1,0,1]=4 1639 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,0,0,2,0|1,0,1]=4 1640 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,0,0,2,0|1,0,1]=4 1641 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,0,0,2,0|1,0,1]=4 1642 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,0,0,2,0|1,0,1]=4 1643 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,0,0,2,0|1,0,1]=4 1644 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,0,0,2,0|1,0,1]=4 1645 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,0,0,2,0|1,0,1]=4 1646 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,0,0,2,0|1,0,1]=4 1647 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,0,0,2,0|1,0,1]=4 1648 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,0,0,2,0|1,0,1]=4 1649 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,0,0,2,0|1,0,1]=4 1650 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,0,0,2,0|1,0,1]=4 1651 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,0,0,2,0|1,0,1]=4 1652 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,0,0,2,0|1,0,1]=4 1653 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,0,0,2,0|1,0,1]=4 1654 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,0,0,2,0|1,0,1]=4 1655 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,0,0,2,0|1,0,1]=4 1656 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,0,0,2,0|1,0,1]=4 1657 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,0,0,2,0|1,0,1]=4 1658 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,0,0,2,0|1,0,1]=4 1659 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,0,0,2,0|1,0,1]=4 1660 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,0,0,2,0|1,0,1]=4 1661 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,0,0,2,0|1,0,1]=4 1662 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,0,0,2,0|1,0,1]=4 1663 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,0,0,2,0|1,0,1]=4 1664 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,0,0,2,0|1,0,1]=4 1665 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,0,0,2,0|1,0,1]=4 1666 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,0,0,2,0|1,0,1]=4 1667 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,0,0,2,0|1,0,1]=4 1668 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,0,0,2,0|1,0,1]=4 1669 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,0,0,2,0|1,0,1]=4 1670 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,0,0,2,0|1,0,1]=4 1671 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,0,0,2,0|1,0,1]=4 1672 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,2,0|1,0,1]=4 1673 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,2,0|1,0,1]=4 1674 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,0,0,2,0|1,0,1]=4 1675 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,0,0,2,0|1,0,1]=4 1676 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,0,0,2,0|1,0,1]=4 1677 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,0,0,2,0|1,0,1]=4 1678 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,0,0,2,0|1,0,1]=4 1679 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,0,0,2,0|1,0,1]=4 1680 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,2,0|0,0,0]=2 1681 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,0,0,2,0|1,0,1]=4 1682 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,0,0,2,0|1,0,1]=4 1683 B10R0.55 C=CC(=O)NCCCC(=O)O MCULE-4876378657 [0,0,0,0,0,2|1,0,1]=4