0 B8R1.18 C1(=O)C(=O)NC(=O)N1 TS04413 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 C1C(=O)NC(=O)N1N TS02001 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.18 C1C(=O)NC(=O)N1N TS02002 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.18 C=C1C(=O)NC(=O)N1 TS04274 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 C=C1CC(=O)OC1=O TS04270 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 CC1=CC(=O)OC1=O TS22789 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1C(=O)NC(=O)N1 TS32050 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.18 CC1CC(=O)OC1=O TS32036 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.18 CN1CC(=O)N=C1N TS04376 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.18 CN1CC(=O)N=C1N TS40796 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.18 CN1CC(=O)NC1=O TS32047 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.18 CN1CC(CC1=O)N TS88582 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.18 C[C@H]1C(=O)OC(=O)N1 TS04514 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.18 Cc1c([nH]c(=O)[nH]1)C TS04294 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.18 Cn1c(=O)cc(s1)Cl TS48836 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.18 Cn1c(=O)cc(s1)Cl TS68897 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.18 Cn1c(=O)cc(s1)Cl TS93608 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.18 Cn1c(=O)cc(s1)Cl TS93615 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 C1=CC(=O)NC1=O TS56220 [1,0,0,0,0,0|1,0,1]=3 21 B7R1.2 C1=CC(=O)OC1=O TS03751 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 C1C(=O)C=C(N1)O TS31463 [1,0,0,0,0,0|1,0,1]=3 23 B7R1.2 C1C(=O)NC(=N1)N TS65022 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.2 C1C(=O)NC(=O)N1 TS39884 [1,0,0,0,0,0|0,0,0]=1 25 B7R1.2 C1C(=O)NC(=O)N1 TS40408 [1,0,0,0,0,0|0,0,0]=1 26 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [1,0,0,0,0,0|1,0,0]=2 27 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.2 C1C(=O)NC(=S)N1 TS04577 [1,0,0,0,0,0|0,1,0]=2 29 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [1,0,0,0,0,0|1,1,0]=3 30 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.2 C1C(CNC1=O)N TS87465 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.2 C1CC(=O)CC1=O TS46791 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 C1CC(=O)NC1=O TS31467 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.2 C1CC(=O)OC1=O TS31489 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [1,0,0,0,0,0|1,1,1]=4 37 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 C1[C@H](CNC1=O)O TS01973 [1,0,0,0,0,0|1,0,2]=4 40 B7R1.2 C1[C@H](CNC1=O)S TS04686 [1,0,0,0,0,0|1,1,1]=4 41 B7R1.2 C=C1CCC(=O)O1 TS03758 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.2 CC1=NNC(=O)C1 TS93059 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.2 CC1CNC(=S)N1 TS04617 [1,0,0,0,0,0|1,1,1]=4 47 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.2 c1(=O)[nH]c(=O)o[nH]1 TS31574 [1,0,0,0,0,0|1,0,0]=2 52 B7R1.4 C1C(C(=O)NO1)N TS03929 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.4 C1CNC(=O)C1N TS94857 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.4 C1COC(=O)N1N TS03931 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.4 C1COC(=O)N1N TS18967 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.4 C1CSC(=O)C1N TS41321 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.4 CN1CCNC1=S TS04614 [1,0,0,0,0,0|1,1,1]=4 67 B7R1.4 Cn1c(=O)ccs1 TS41073 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.22 CCC1C(=O)NC(=O)N1 TS05314 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.37 C1(=C(C(=O)NC1=O)Br)Br TS02533 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.37 CN1C(=O)C[C@@H](C1=O)O TS05438 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.37 CN1CC(=O)N(C1=S)C TS06964 [0,1,0,0,0,0|1,1,0]=3 73 B9R1.38 CC1(C(=O)NC(=O)N1)C TS36284 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.38 CC1(C(=O)NC(=O)N1)O TS36458 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.38 CC1(C(=O)NC(=O)O1)C TS36393 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.38 CC1(CC(=O)OC1=O)C TS36281 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,0,1,0,0,0|3,0,0]=4 78 B7R0.2 CC(=O)CC(=O)NC TS04520 [0,0,1,0,0,0|2,0,0]=3 79 B7R0.2 CC(=O)CC(=O)OC TS32187 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.2 CC(=O)NC(=O)CN TS32199 [0,0,1,0,0,0|1,0,0]=2 81 B7R0.2 CC(=O)NC(=O)NC TS32196 [0,0,1,0,0,0|1,0,0]=2 82 B7R0.2 CC(C)NC(=S)NN TS36783 [0,0,1,0,0,0|1,1,1]=4 83 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.2 CN(C)CC(=O)NN TS04683 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.2 CN(CC(=O)O)N=O TS04701 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.2 COC(=O)NC(=O)N TS04702 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.5 C(C=O)C(C(=O)O)N TS32274 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.5 C=CCC(C(=O)O)N TS22958 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [0,0,1,0,0,0|3,0,0]=4 90 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.7 CCOC(=O)CNN TS56149 [0,0,1,0,0,0|2,0,1]=4 94 B9R2.25 C1C2C1C(=O)OC2=O TS04268 [0,0,0,1,0,0|3,0,0]=4 95 B9R2.25 C1C2N1C(=O)NC2=N TS04244 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.15 c1c(c(=O)c1=O)[O-] TS32404 [0,0,0,0,1,0|2,0,1]=4 97 B9R1.34 C1C(=O)CC(=O)OC1=O TS05307 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.34 C1C(=O)NC(=NC1=O)N TS60257 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.34 C1C(=O)NC(=O)N=C1[O-] TS07626 [0,0,0,0,0,1|2,0,0]=3 100 B9R1.34 C1C(=O)NC(=O)NC1=O TS47182 [0,0,0,0,0,1|2,0,0]=3 101 B9R1.34 C1C(=O)NC(=S)NC1=O TS12153 [0,0,0,0,0,1|2,1,0]=4 102 B9R1.34 CC1CC(=O)CC(=O)C1 TS36118 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.34 CC1CC(=O)NC(=O)N1 TS36285 [0,0,0,0,0,1|2,0,0]=3 104 B9R1.34 CC1CC(=O)OC(=O)C1 TS36277 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 TS47226 [0,0,0,0,0,1|2,0,1]=4 106 B9R1.34 c1(=O)[nH]c(=O)[nH]c(=O)[nH]1 TS36389 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.34 c1c(=O)[nH]c(=O)[nH]c1Cl TS55591 [0,0,0,0,0,1|2,0,1]=4 108 B9R1.34 c1c(=O)[nH]c(=O)[nH]c1F TS36447 [0,0,0,0,0,1|2,0,1]=4 109 B9R1.34 c1c(=O)[nH]c(=O)[nH]c1I TS64837 [0,0,0,0,0,1|2,0,1]=4 110 B9R1.34 c1c(nc(=O)[nH]c1Cl)N TS07139 [0,0,0,0,0,1|2,0,1]=4 111 B9R1.34 c1c(nc(=O)[nH]c1F)N TS36391 [0,0,0,0,0,1|2,0,1]=4 112 B9R1.69 C1CC(=O)NC(=O)C1N TS42830 [0,0,0,0,0,1|1,0,0]=2 113 B9R1.69 C1CC(=O)NC(=O)C1N TS86733 [0,0,0,0,0,1|1,0,0]=2 114 B9R1.69 C1CC(=O)NC(=O)C1N TS93583 [0,0,0,0,0,1|1,0,0]=2 115 B9R1.69 C1CC(=O)NC(=O)C1N TS93593 [0,0,0,0,0,1|1,0,0]=2 116 B9R1.69 CC1CNC(=O)NC1=O TS36286 [0,0,0,0,0,1|2,0,0]=3 117 B9R1.69 Cc1c(=O)[nH]c(=O)[nH]n1 TS05249 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TS09147 [0,0,0,0,0,1|2,0,1]=4 119 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TS36264 [0,0,0,0,0,1|2,0,1]=4 120 B9R1.69 Cc1c[nH]c(=O)nc1N TS09146 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.69 Cc1c[nH]c(=O)nc1N TS42357 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.69 Cn1ccc(=O)[nH]c1=O TS47007 [0,0,0,0,0,1|1,0,1]=3 123 B9R1.69 c1(=O)c(n[nH]c(=O)[nH]1)Br TS60079 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.69 c1(=O)c(n[nH]c(=O)[nH]1)S TS12655 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.69 c1(c(=O)[nH]c(=O)[nH]n1)N TS05312 [0,0,0,0,0,1|2,0,0]=3 126 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Br TS71476 [0,0,0,0,0,1|2,0,1]=4 127 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Cl TS71529 [0,0,0,0,0,1|2,0,1]=4 128 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F TS05693 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F TS71555 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)N TS71391 [0,0,0,0,0,1|1,0,1]=3 131 B9R1.69 c1c(c(nc(=O)[nH]1)N)Br TS71459 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.69 c1c(c(nc(=O)[nH]1)N)F TS60438 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.69 c1c(c(nc(=O)[nH]1)N)I TS25989 [0,0,0,0,0,1|3,0,0]=4 134 B6R0.1 CCCC(=O)NN TS31598 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.1 CCOC(=O)NN TS59780 [1,0,1,0,0,0|1,0,1]=4 136 B6R0.2 C(=N)(N)NC(=O)N TS37857 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.2 C(=O)(N)NC(=O)N TS31632 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.2 C(=O)(N)N[N+](=O)[O-] TS04062 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.2 C(C(=N)N)C(=O)N TS37135 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.2 C(C(=O)N)C(=O)N TS31588 [1,0,1,0,0,0|1,0,0]=3 141 B6R0.2 CC(=CC(=O)C)N TS03815 [1,0,1,0,0,0|2,0,0]=4 142 B6R0.2 CC(=O)CC(=O)C TS03846 [1,0,1,0,0,0|2,0,0]=4 143 B6R0.2 CC(=O)CC(=O)N TS31549 [1,0,1,0,0,0|1,0,0]=3 144 B6R0.2 CC(=O)CC(=O)O TS31585 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.2 CC(=O)NC(=N)N TS77165 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.2 CC(=O)NC(=O)C TS31542 [1,0,1,0,0,0|1,0,0]=3 148 B6R0.2 CC(=O)NC(=O)N TS03933 [1,0,1,0,0,0|0,0,0]=2 149 B6R0.2 CC(=O)NC(=S)N TS04730 [1,0,1,0,0,0|0,1,0]=3 150 B6R0.2 CC(=O)OC(=O)C TS31583 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.2 CC(=O)SC(=O)C TS04729 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.2 CC(C)NC(=O)N TS31602 [1,0,1,0,0,0|1,0,1]=4 153 B6R0.4 C(=O)NNC(=S)N TS04785 [1,0,1,0,0,0|1,1,0]=4 154 B6R0.4 C(C(=O)O)NC=O TS31630 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.4 C(CC(=O)O)C=O TS31586 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.4 C(CCl)NC(=O)N TS04945 [1,0,1,0,0,0|1,0,1]=4 157 B6R0.4 C(CO)NC(=O)N TS04021 [1,0,1,0,0,0|0,0,2]=4 158 B6R0.4 C=CCNC(=O)N TS03854 [1,0,1,0,0,0|1,0,0]=3 159 B6R0.4 C=CCNC(=S)N TS04616 [1,0,1,0,0,0|1,1,0]=4 160 B6R0.4 C=CCOC(=O)N TS31538 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.4 CC(=O)NCCN TS31596 [1,0,1,0,0,0|1,0,1]=4 162 B6R0.4 CC(=O)OCC=O TS31580 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.4 CC=NNC(=O)N TS31550 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.4 CCCNC(=O)N TS31594 [1,0,1,0,0,0|1,0,1]=4 165 B6R0.4 CN(C)C=CC=O TS02738 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [1,0,1,0,0,0|1,0,1]=4 167 B6R0.3 CCC(C(=O)N)N TS93870 [1,0,1,0,0,0|1,0,1]=4 168 B6R0.3 CCC(C(=O)N)N TS94086 [1,0,1,0,0,0|1,0,1]=4 169 B6R0.3 CC[C@H](C(=O)N)N TS93011 [1,0,1,0,0,0|1,0,1]=4 170 B6R0.3 CN(C(=O)N)N=O TS01611 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.3 CN(C)C(=O)C=C TS03821 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.3 CNC(=O)N(C)C TS31600 [1,0,1,0,0,0|1,0,1]=4 173 B6R0.3 CNC(=S)N(C)N TS59921 [1,0,1,0,0,0|0,1,1]=4 174 B6R1.2 C1C(=O)NCN1 TS32972 [2,0,0,0,0,0|0,0,1]=3 175 B6R1.2 C1C=CC(=O)N1 TS71697 [2,0,0,0,0,0|1,0,0]=3 176 B6R1.2 C1C=CC(=O)O1 TS03476 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 C1C=CCC1=O TS03462 [2,0,0,0,0,0|2,0,0]=4 178 B6R1.2 C1CC(=O)C=C1 TS00977 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 C1CC(=O)NC1 TS39938 [2,0,0,0,0,0|1,0,1]=4 180 B6R1.2 C1CC(=O)NC1 TS63365 [2,0,0,0,0,0|1,0,1]=4 181 B6R1.2 C1CNC(=O)N1 TS93146 [2,0,0,0,0,0|0,0,1]=3 182 B6R1.2 C1CNC(=S)N1 TS31609 [2,0,0,0,0,0|0,1,1]=4 183 B6R1.2 C1CNCC1=O TS88446 [2,0,0,0,0,0|1,0,1]=4 184 B6R1.2 C1CNNC1=O TS04946 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 C1COC(=O)N1 TS03552 [2,0,0,0,0,0|1,0,1]=4 186 B6R1.2 C1CSC(=O)N1 TS03996 [2,0,0,0,0,0|1,0,1]=4 187 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [2,0,0,0,0,0|0,0,1]=3 188 B6R1.2 c1ccn(c1)N TS00391 [2,0,0,0,0,0|1,0,1]=4 189 B6R1.2 c1ccn(c1)N TS84904 [2,0,0,0,0,0|1,0,1]=4 190 B8R0.5 CCNC(=O)CC(=O)C TS05458 [0,1,1,0,0,0|2,0,0]=4 191 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,1,1,0,0,0|2,0,0]=4 192 B8R0.19 C(C(=O)OC(=O)CN)N TS32046 [0,1,1,0,0,0|2,0,0]=4 193 B8R0.23 C(C(C(=O)O)N)C(=O)N TS36641 [0,1,1,0,0,0|1,0,0]=3 194 B8R0.23 C(C(C(=O)O)N)C(=O)N TS40817 [0,1,1,0,0,0|1,0,0]=3 195 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] TS41549 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] TS45294 [0,1,1,0,0,0|2,0,0]=4 197 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] TS93538 [0,1,1,0,0,0|2,0,0]=4 198 B8R0.23 C([C@@H](C(=O)N)N)C(=O)N TS12435 [0,1,1,0,0,0|1,0,0]=3 199 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O TS36647 [0,1,1,0,0,0|2,0,0]=4 200 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS05808 [0,1,1,0,0,0|2,0,0]=4 201 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS77146 [0,1,1,0,0,0|2,0,0]=4 202 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS45295 [0,1,1,0,0,0|2,0,0]=4 203 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS45583 [0,1,1,0,0,0|2,0,0]=4 204 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS57977 [0,1,1,0,0,0|2,0,0]=4 205 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS63611 [0,1,1,0,0,0|2,0,0]=4 206 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] TS84257 [0,1,1,0,0,0|2,0,0]=4 207 B8R0.23 C([C@H](C(=O)N)N)C(=O)O TS36642 [0,1,1,0,0,0|2,0,0]=4 208 B8R0.23 C([C@H](C(=O)O)N)C(=O)O TS93443 [0,1,1,0,0,0|2,0,0]=4 209 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [0,1,1,0,0,0|2,0,0]=4 210 B8R1.1 C(c1[nH]c(=O)[nH]n1)Cl TS39345 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 C(c1[nH]c(=O)[nH]n1)N TS09963 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.1 C1C(CNC1=O)CN TS85675 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.1 COC1=CC(=O)NC1 TS32006 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.50 C1=CC(=O)N(C1=O)O TS31997 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.50 C1C(=O)C(C(=O)O1)Cl TS05937 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.50 C1C(=O)N(C(=S)S1)N TS07485 [1,1,0,0,0,0|1,1,0]=4 219 B8R1.50 C1CC(=O)N(C1=O)Br TS08620 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.50 C1CC(=O)N(C1=O)Cl TS08631 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.50 C1CC(=O)N(C1=O)I TS56402 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.50 C1CC(=O)N(C1=O)O TS39608 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.50 CC1C(=O)CCC1=O TS04283 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.50 CN1C(=O)C=CC1=O TS04240 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.50 CN1C(=O)CCC1=O TS04372 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.50 CN1C(=O)CNC1=S TS36488 [1,1,0,0,0,0|0,1,0]=3 227 B8R1.50 CN1C(=O)CSC1=S TS40573 [1,1,0,0,0,0|1,1,0]=4 228 B8R1.50 CN1C(=O)N=NC1=O TS31998 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.50 Cn1c(=O)[nH][nH]c1=O TS04517 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.25 c1(c(c(=O)c1=O)N)N TS59558 [0,1,0,0,1,0|1,0,1]=4 231 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 TS37484 [0,1,0,0,0,1|1,0,1]=4 232 B10R1.8 c1c([nH]c(=O)[nH]c1=O)NO TS40051 [0,1,0,0,0,1|1,0,1]=4 233 B10R1.22 C1(C(=O)NC(=O)NC1=O)N TS40052 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.22 C1(C(NC(=O)NC1=O)O)F TS43001 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)N TS37475 [0,1,0,0,0,1|1,0,1]=4 236 B10R1.22 Cn1c(cc(=O)[nH]c1=O)N TS55524 [0,1,0,0,0,1|1,0,1]=4 237 B10R1.22 c1(c([nH]c(=O)[nH]c1=O)N)Br TS38911 [0,1,0,0,0,1|1,0,1]=4 238 B10R1.22 c1(c([nH]c(=O)[nH]c1=O)N)N TS71336 [0,1,0,0,0,1|1,0,1]=4 239 B10R1.329 CC1(CC(=O)NC(=O)C1)C TS06598 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.25 c1(=O)c(n[nH]c(=O)[nH]1)NN TS40057 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.118 Cc1cn(c(=O)[nH]c1=O)C TS06440 [0,1,0,0,0,1|1,0,1]=4 242 B10R1.119 Cn1ccc(=O)n(c1=O)C TS00376 [0,1,0,0,0,1|1,0,1]=4 243 B10R1.59 CC(=O)N1CC(=O)NC1=S TS10961 [0,2,0,0,0,0|1,1,0]=4 244 B10R1.130 C1[C@@H](C(=O)OC1=O)NC=O TS40050 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.130 C=CCN1CC(=O)NC1=O TS37355 [0,2,0,0,0,0|1,0,0]=3 246 B10R1.339 CC1(C(=O)NC(=O)N1Br)C TS39126 [0,2,0,0,0,0|1,0,0]=3 247 B10R1.339 CC1(C(=O)NC(=O)N1C)C TS06677 [0,2,0,0,0,0|1,0,0]=3 248 B10R1.339 CC1C(=O)NC(=O)C1(C)C TS06588 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.4 C1C(=O)NC(=O)CN1 TS59350 [0,0,1,1,0,0|1,0,0]=3 250 B8R1.4 C1CC(=O)NC(=O)C1 TS04369 [0,0,1,1,0,0|2,0,0]=4 251 B8R1.4 C1CNC(=O)CC1=O TS00654 [0,0,1,1,0,0|2,0,0]=4 252 B8R1.4 C1CNC(=O)NC1=O TS32045 [0,0,1,1,0,0|1,0,0]=3 253 B8R1.4 C1CNC(=O)OC1=O TS04515 [0,0,1,1,0,0|2,0,0]=4 254 B8R1.4 C1NC(=O)NC(=O)N1 TS04518 [0,0,1,1,0,0|2,0,0]=4 255 B8R1.4 c1[nH]c(=O)[nH]c(=O)n1 TS16779 [0,0,1,1,0,0|2,0,0]=4 256 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04273 [0,0,1,1,0,0|1,0,1]=4 257 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04421 [0,0,1,1,0,0|1,0,1]=4 258 B8R1.23 C1C(NC1=O)C(=O)O TS04513 [0,0,1,1,0,0|2,0,0]=4 259 B8R1.23 C1[C@@H](NC1=O)C(=O)O TS89740 [0,0,1,1,0,0|2,0,0]=4 260 B8R1.23 C1[C@H](NC1=O)C(=O)O TS32146 [0,0,1,1,0,0|2,0,0]=4 261 B6R1.5 C1C(CC1=O)N TS88191 [1,0,0,0,1,0|1,0,1]=4 262 B6R1.5 C=C1CC(=O)O1 TS55716 [1,0,0,0,1,0|2,0,0]=4 263 B6R1.5 CC1CC(=O)N1 TS71735 [1,0,0,0,1,0|1,0,1]=4 264 B8R0.9 C(C(=O)NCC(=O)O)N TS36650 [0,0,1,0,0,1|2,0,0]=4 265 B8R0.9 C(C(=O)NCC(=O)O)N TS44935 [0,0,1,0,0,1|2,0,0]=4 266 B8R0.9 CC(=O)NCC(=O)NC TS36477 [0,0,1,0,0,1|1,0,0]=3 267 B8R1.3 C1C(=O)OCC(=O)O1 TS32175 [1,0,0,0,0,1|2,0,0]=4 268 B8R1.3 C1CC(=O)CCC1=O TS39842 [1,0,0,0,0,1|2,0,0]=4 269 B8R1.3 C1CC(=O)NCC1=O TS59930 [1,0,0,0,0,1|1,0,0]=3 270 B8R1.3 C1CC(=O)NCC1N TS88548 [1,0,0,0,0,1|1,0,1]=4 271 B8R1.3 CC1=NNC(=O)CC1 TS04298 [1,0,0,0,0,1|2,0,0]=4