0 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Cc1[nH]nnn1 CUR-0101485 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 Cc1ccco1 CUR-0026171 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 Cc1cccs1 CUR-0101571 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Cc1ccno1 CUR-0100786 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 Cc1ccsc1 CUR-0006917 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 Cc1cscn1 CUR-0101579 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 Cn1cccc1 CUR-0101475 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 Cn1cccn1 CUR-0023331 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 Cn1ccnc1 CUR-0022901 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 c1([nH]nnn1)N CUR-0015205 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 c1(nnns1)N CUR-0095868 [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 c1[nH]nc(n1)N CUR-0003118 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 c1c(cn[nH]1)Br CUR-0028319 [0,0,0,0,0,0|1,0,0]=1 16 B6R1.2 c1c(cn[nH]1)N CUR-0003042 [0,0,0,0,0,0|1,0,0]=1 17 B6R1.2 c1c(con1)N CUR-0100627 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 c1c(nsn1)Cl CUR-0099633 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 c1c[nH]nc1N CUR-0101482 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 c1cc(sc1)Br CUR-0102679 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 c1cc(sc1)Cl CUR-0013952 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 c1cc(sc1)I CUR-0103583 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 c1cocc1Br CUR-0102292 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 c1conc1N CUR-0101483 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 c1cscc1Br CUR-0102678 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 c1cscc1F CUR-0098914 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 c1cscc1N CUR-0103243 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 c1nnc(o1)N CUR-0009126 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 c1nnc(s1)Cl CUR-0000896 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 c1nncn1N CUR-0096691 [0,0,0,0,0,0|2,0,1]=3 31 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,0,0,0|2,0,1]=4 32 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,0,0,0|2,0,1]=4 33 B5R1.1 c1[nH]cnn1 CUR-0013962 [1,0,0,0,0,0|1,0,1]=3 34 B5R1.1 c1[nH]nnn1 CUR-0010468 [1,0,0,0,0,0|2,0,0]=3 35 B5R1.1 c1c[nH]nc1 CUR-0027742 [1,0,0,0,0,0|0,0,0]=1 36 B5R1.1 c1cc[nH]c1 CUR-0101433 [1,0,0,0,0,0|1,0,0]=2 37 B5R1.1 c1ccoc1 CUR-0017577 [1,0,0,0,0,0|2,0,0]=3 38 B5R1.1 c1ccsc1 CUR-0023526 [1,0,0,0,0,0|2,0,0]=3 39 B5R1.1 c1cnc[nH]1 CUR-0006831 [1,0,0,0,0,0|2,0,0]=3 40 B5R1.1 c1cnn[nH]1 CUR-0101439 [1,0,0,0,0,0|1,0,0]=2 41 B5R1.1 c1cnoc1 CUR-0101437 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.1 C(c1n[nH]nn1)N CUR-0144943 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 CCc1cccs1 CUR-0101705 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.1 c1[nH]c(nn1)CN CUR-0122284 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 c1c([nH]cn1)CCl CUR-0120555 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 c1c(cn[nH]1)CN CUR-0019813 [0,1,0,0,0,0|0,0,0]=1 47 B7R1.1 c1c(con1)CN CUR-0100648 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.1 c1c(nco1)CCl CUR-0008214 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 c1c(nn[nH]1)C#N CUR-0058103 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.1 c1c(ocn1)CN CUR-0161748 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 c1cc(oc1)CN CUR-0006239 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 c1cc(oc1)CO CUR-0018391 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 c1cc(oc1)CS CUR-0101724 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.1 c1cc(sc1)CN CUR-0000390 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 c1cc(sc1)CO CUR-0023830 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.1 c1cn[nH]c1CN CUR-0011116 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 c1cnoc1CN CUR-0084598 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.1 c1cocc1C=O CUR-0101559 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 c1conc1CCl CUR-0006498 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.1 c1cscc1C#N CUR-0101677 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 c1cscc1C=O CUR-0026809 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 c1cscc1CO CUR-0029172 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.1 c1nc(on1)CBr CUR-0059734 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.2 Cc1cc(n[nH]1)N CUR-0013118 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.2 Cc1cc(no1)N CUR-0024529 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.2 Cc1cc(on1)C CUR-0101566 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.2 Cc1cc(on1)N CUR-0022581 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.2 Cc1cc(sn1)N CUR-0102387 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.2 Cc1ccc(o1)C CUR-0101561 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.2 Cc1ccc(s1)C CUR-0012643 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.2 Cc1cnc(s1)N CUR-0101725 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 Cc1coc(n1)N CUR-0010957 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 Cc1csc(n1)Br CUR-0099044 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.2 Cc1csc(n1)N CUR-0099540 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 Cc1csc(n1)S CUR-0101982 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 Cc1nnc(s1)Cl CUR-0021618 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 Cc1nnc(s1)N CUR-0101740 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.2 Cc1nnc(s1)S CUR-0099950 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 Cn1cc(cn1)I CUR-0001879 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.2 Cn1cc(cn1)N CUR-0010797 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.2 Cn1cc(cn1)N CUR-0100632 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.2 Cn1cc(cn1)O CUR-0006197 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.2 c1c(sc(n1)Br)Br CUR-0006343 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.4 Cc1c(c[nH]n1)Br CUR-0100170 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.4 Cc1c(non1)N CUR-0099852 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.4 Cc1nccn1C CUR-0101394 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.4 Cn1ccnc1S CUR-0016488 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.4 Cn1cnnc1S CUR-0101739 [0,1,0,0,0,0|1,0,1]=3 92 B7R1.4 c1(c(n[nH]n1)Br)Br CUR-0121035 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.4 c1(c(nsn1)Cl)Cl CUR-0102513 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.4 c1(c(nsn1)N)N CUR-0099636 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.4 c1[nH]c(c(n1)Br)Br CUR-0100573 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.4 c1[nH]c(c(n1)Br)Cl CUR-0121747 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 c1[nH]c(c(n1)Cl)Cl CUR-0102084 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.4 c1csc(c1Br)Br CUR-0018312 [0,1,0,0,0,0|3,0,0]=4 99 B5R0.1 CC(=CCBr)C CUR-0059675 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.1 CC(=CCCl)C CUR-0022594 [0,0,1,0,0,0|2,0,1]=4 101 B5R0.1 C\C(=C\C#N)\N CUR-0009988 [0,0,1,0,0,0|2,0,1]=4 102 B5R0.2 CCO\C=C\C CUR-0101289 [0,0,1,0,0,0|2,0,1]=4 103 B7R1.3 Cc1ccccn1 CUR-0005465 [0,0,0,0,0,1|2,0,0]=3 104 B7R1.3 Cc1cccnc1 CUR-0100815 [0,0,0,0,0,1|1,0,0]=2 105 B7R1.3 Cc1ccncc1 CUR-0027079 [0,0,0,0,0,1|1,0,0]=2 106 B7R1.3 Cc1cnccn1 CUR-0100916 [0,0,0,0,0,1|1,0,0]=2 107 B7R1.3 c1c(cncn1)Br CUR-0004760 [0,0,0,0,0,1|1,0,1]=3 108 B7R1.3 c1c(cncn1)I CUR-0026023 [0,0,0,0,0,1|1,0,1]=3 109 B7R1.3 c1c(cnnn1)Br CUR-0100868 [0,0,0,0,0,1|1,0,1]=3 110 B7R1.3 c1cc(=O)[nH]nc1 CUR-0115206 [0,0,0,0,0,1|3,0,0]=4 111 B7R1.3 c1cc(cnc1)Br CUR-0009235 [0,0,0,0,0,1|2,0,0]=3 112 B7R1.3 c1cc(cnc1)F CUR-0101564 [0,0,0,0,0,1|2,0,0]=3 113 B7R1.3 c1cc(cnc1)N CUR-0019682 [0,0,0,0,0,1|2,0,0]=3 114 B7R1.3 c1cc(cnc1)O CUR-0101555 [0,0,0,0,0,1|2,0,0]=3 115 B7R1.3 c1cc(nnc1)S CUR-0097040 [0,0,0,0,0,1|3,0,0]=4 116 B7R1.3 c1cc[nH]c(=O)c1 CUR-0101554 [0,0,0,0,0,1|3,0,0]=4 117 B7R1.3 c1ccc(cc1)Br CUR-0101195 [0,0,0,0,0,1|3,0,0]=4 118 B7R1.3 c1ccc(cc1)Cl CUR-0027821 [0,0,0,0,0,1|3,0,0]=4 119 B7R1.3 c1ccc(cc1)F CUR-0101403 [0,0,0,0,0,1|3,0,0]=4 120 B7R1.3 c1ccc(cc1)I CUR-0025654 [0,0,0,0,0,1|3,0,0]=4 121 B7R1.3 c1ccc(cc1)N CUR-0004820 [0,0,0,0,0,1|3,0,0]=4 122 B7R1.3 c1ccc(cc1)N CUR-0101212 [0,0,0,0,0,1|3,0,0]=4 123 B7R1.3 c1ccc(cc1)O CUR-0014170 [0,0,0,0,0,1|3,0,0]=4 124 B7R1.3 c1ccc(cc1)S CUR-0028213 [0,0,0,0,0,1|3,0,0]=4 125 B7R1.3 c1ccnc(c1)Br CUR-0027498 [0,0,0,0,0,1|3,0,0]=4 126 B7R1.3 c1ccnc(c1)Cl CUR-0025795 [0,0,0,0,0,1|3,0,0]=4 127 B7R1.3 c1ccnc(c1)F CUR-0001564 [0,0,0,0,0,1|3,0,0]=4 128 B7R1.3 c1ccnc(c1)N CUR-0014738 [0,0,0,0,0,1|3,0,0]=4 129 B7R1.3 c1ccnc(c1)S CUR-0101115 [0,0,0,0,0,1|3,0,0]=4 130 B7R1.3 c1cnc(cn1)Cl CUR-0011494 [0,0,0,0,0,1|2,0,0]=3 131 B7R1.3 c1cnc(cn1)N CUR-0026531 [0,0,0,0,0,1|2,0,0]=3 132 B7R1.3 c1cnccc1Br CUR-0024741 [0,0,0,0,0,1|2,0,0]=3 133 B7R1.3 c1cnccc1Cl CUR-0000753 [0,0,0,0,0,1|2,0,0]=3 134 B7R1.3 c1cnccc1Cl CUR-0101201 [0,0,0,0,0,1|2,0,0]=3 135 B7R1.3 c1cnccc1N CUR-0006858 [0,0,0,0,0,1|2,0,0]=3 136 B7R1.3 c1cnnc(n1)N CUR-0015994 [0,0,0,0,0,1|3,0,0]=4 137 B4R0.1 C=CC(=O)N CUR-0007166 [1,0,1,0,0,0|2,0,0]=4 138 B4R0.1 CC(=C)C=O CUR-0101443 [1,0,1,0,0,0|1,0,0]=3 139 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,1,0,0,0|1,0,1]=4 140 B4R0.1 CC(=C)OC CUR-0101450 [1,0,1,0,0,0|2,0,0]=4 141 B4R0.1 CC(=O)C=C CUR-0013098 [1,0,1,0,0,0|2,0,0]=4 142 B4R0.1 CC(=O)C=O CUR-0101448 [1,0,1,0,0,0|2,0,0]=4 143 B4R0.1 C\C(=N\O)\N CUR-0098903 [1,0,1,0,0,0|2,0,0]=4 144 B4R0.2 C=CCNN CUR-0101265 [1,0,1,0,0,0|0,0,2]=4 145 B4R0.2 C=CCNN CUR-0122500 [1,0,1,0,0,0|0,0,2]=4 146 B4R0.2 CC=CC#N CUR-0028876 [1,0,1,0,0,0|1,0,1]=4 147 B4R0.2 C\C=C\C#N CUR-0101432 [1,0,1,0,0,0|1,0,1]=4 148 B4R0.2 C\C=C\C=O CUR-0001472 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.3 CC(=C)C(=O)OC CUR-0012718 [0,1,1,0,0,0|2,0,0]=4 150 B6R0.3 C\C(=N\O)\C(=O)C CUR-0101601 [0,1,1,0,0,0|2,0,0]=4 151 B8R1.2 C=Cc1ccncc1 CUR-0007620 [0,1,0,0,0,1|1,0,1]=4 152 B8R1.2 CCc1ccccc1 CUR-0101653 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.2 CNc1ccccc1 CUR-0101656 [0,1,0,0,0,1|2,0,0]=4 154 B8R1.2 COc1ccccc1 CUR-0026843 [0,1,0,0,0,1|2,0,0]=4 155 B8R1.2 COc1ccncc1 CUR-0101402 [0,1,0,0,0,1|1,0,0]=3 156 B8R1.2 CSc1ccccc1 CUR-0101870 [0,1,0,0,0,1|2,0,0]=4 157 B8R1.2 c1c(cncn1)C=O CUR-0026977 [0,1,0,0,0,1|0,0,2]=4 158 B8R1.2 c1c(cncn1)CO CUR-0046551 [0,1,0,0,0,1|0,0,1]=3 159 B8R1.2 c1cc(cnc1)C#N CUR-0019652 [0,1,0,0,0,1|1,0,1]=4 160 B8R1.2 c1cc(cnc1)C=O CUR-0007220 [0,1,0,0,0,1|1,0,1]=4 161 B8R1.2 c1cc(cnc1)CCl CUR-0002750 [0,1,0,0,0,1|1,0,0]=3 162 B8R1.2 c1cc(cnc1)CN CUR-0027066 [0,1,0,0,0,1|1,0,0]=3 163 B8R1.2 c1cc(cnc1)CO CUR-0101674 [0,1,0,0,0,1|1,0,0]=3 164 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.2 c1ccc(cc1)CN CUR-0009810 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.2 c1ccc(cc1)CN CUR-0101294 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.2 c1ccc(cc1)CO CUR-0002024 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.2 c1ccc(cc1)CS CUR-0005953 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.2 c1ccnc(c1)CCl CUR-0006464 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.2 c1ccnc(c1)CN CUR-0101659 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.2 c1ccnc(c1)CO CUR-0101669 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.2 c1cnc(cn1)C#N CUR-0014188 [0,1,0,0,0,1|1,0,1]=4 174 B8R1.2 c1cnccc1C#N CUR-0026031 [0,1,0,0,0,1|1,0,1]=4 175 B8R1.2 c1cnccc1C=O CUR-0023499 [0,1,0,0,0,1|1,0,1]=4 176 B8R1.2 c1cnccc1CCl CUR-0005638 [0,1,0,0,0,1|1,0,0]=3 177 B8R1.2 c1cnccc1CN CUR-0101658 [0,1,0,0,0,1|1,0,0]=3 178 B8R1.2 c1cnccc1CO CUR-0101670 [0,1,0,0,0,1|1,0,0]=3 179 B8R1.2 c1cnccc1NN CUR-0097304 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.3 Cc1cc[n+](cc1)[O-] CUR-0021329 [0,1,0,0,0,1|1,0,1]=4 181 B8R1.3 Cc1ccc(=O)[nH]n1 CUR-0021706 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.3 Cc1ccc(cc1)Br CUR-0014363 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.3 Cc1ccc(cc1)C CUR-0100820 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.3 Cc1ccc(cc1)Cl CUR-0101900 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.3 Cc1ccc(cc1)F CUR-0101681 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.3 Cc1ccc(cc1)N CUR-0021477 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.3 Cc1ccc(cc1)N CUR-0101286 [0,1,0,0,0,1|2,0,0]=4 188 B8R1.3 Cc1ccc(cc1)O CUR-0101071 [0,1,0,0,0,1|2,0,0]=4 189 B8R1.3 Cc1ccc(cc1)S CUR-0015249 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.3 Cc1ccc(cn1)O CUR-0101672 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.3 Cc1ccc(nc1)Cl CUR-0101909 [0,1,0,0,0,1|1,0,0]=3 192 B8R1.3 Cc1ccc(nc1)N CUR-0101661 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.3 Cc1ccc(nn1)Cl CUR-0023772 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.3 Cc1cnc(cn1)C CUR-0024462 [0,1,0,0,0,1|1,0,0]=3 195 B8R1.3 c1c(cnc(n1)Cl)Br CUR-0024844 [0,1,0,0,0,1|1,0,1]=4 196 B8R1.3 c1c(cnc(n1)Cl)Cl CUR-0102322 [0,1,0,0,0,1|1,0,1]=4 197 B8R1.3 c1c(cnc(n1)Cl)F CUR-0101997 [0,1,0,0,0,1|1,0,1]=4 198 B8R1.3 c1c(cnc(n1)N)I CUR-0009198 [0,1,0,0,0,1|1,0,1]=4 199 B8R1.3 c1cc(ncc1Br)Br CUR-0103845 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.3 c1cc(ncc1Br)Cl CUR-0103313 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.3 c1cc(ncc1Cl)Cl CUR-0102306 [0,1,0,0,0,1|2,0,0]=4 202 B8R1.3 c1cc(ncc1Cl)N CUR-0013159 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.3 c1cc(ncc1F)Cl CUR-0101984 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.3 c1cc(ncc1I)Cl CUR-0103864 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.3 c1cc(ncc1N)Cl CUR-0101934 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.4 Cc1cc(cnc1)C CUR-0008137 [0,1,0,0,0,1|1,0,0]=3 207 B8R1.4 Cc1cc(ncn1)Cl CUR-0097242 [0,1,0,0,0,1|1,0,0]=3 208 B8R1.4 Cc1cc(ncn1)O CUR-0099849 [0,1,0,0,0,1|1,0,0]=3 209 B8R1.4 Cc1cc(ncn1)S CUR-0099850 [0,1,0,0,0,1|1,0,0]=3 210 B8R1.4 Cc1cc[nH]c(=O)c1 CUR-0008898 [0,1,0,0,0,1|1,0,0]=3 211 B8R1.4 Cc1cccc(c1)Br CUR-0102875 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.4 Cc1cccc(c1)C CUR-0101652 [0,1,0,0,0,1|2,0,0]=4 213 B8R1.4 Cc1cccc(c1)F CUR-0014428 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.4 Cc1cccc(c1)N CUR-0014144 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.4 Cc1cccc(c1)O CUR-0101657 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.4 Cc1cccc(n1)Br CUR-0003302 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.4 Cc1cccc(n1)C CUR-0022045 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.4 Cc1cccc(n1)Cl CUR-0018003 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.4 Cc1cccc(n1)N CUR-0101660 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.4 Cc1ccnc(c1)Cl CUR-0101908 [0,1,0,0,0,1|1,0,0]=3 221 B8R1.4 Cc1ccnc(c1)N CUR-0014373 [0,1,0,0,0,1|1,0,0]=3 222 B8R1.4 Cc1ccnc(n1)C CUR-0100900 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.4 Cc1ccnc(n1)N CUR-0099978 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.4 Cc1nccc(n1)O CUR-0009692 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.4 c1c(cncc1Br)Br CUR-0103844 [0,1,0,0,0,1|2,0,0]=4 226 B8R1.4 c1c(nc(cn1)Cl)Cl CUR-0006549 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.4 c1c(ncnc1Cl)Cl CUR-0005730 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.4 c1c(ncnc1O)O CUR-0002163 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.4 c1c[nH]c(=O)[nH]c1=O CUR-0101697 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.4 c1cnc(cc1Cl)N CUR-0096742 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.4 c1cnc(cc1I)Br CUR-0096196 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.4 c1cnc(cc1N)Cl CUR-0101413 [0,1,0,0,0,1|2,0,0]=4 233 B8R1.4 c1cnc(cc1N)N CUR-0021715 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.4 c1cnc(cc1O)N CUR-0064821 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.4 c1cnc(nc1Cl)Cl CUR-0010963 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 c1cnc(nc1O)S CUR-0002098 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.5 Cc1c(cccn1)Br CUR-0015052 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.5 Cc1c(cccn1)O CUR-0101673 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.5 Cc1c(nccn1)O CUR-0023832 [0,1,0,0,0,1|1,0,0]=3 240 B8R1.5 Cc1cccc[n+]1C CUR-0000858 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.5 Cc1cccc[n+]1[O-] CUR-0101667 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.5 Cc1ccccc1C CUR-0015131 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.5 Cc1ccccc1Cl CUR-0010314 [0,1,0,0,0,1|2,0,0]=4 244 B8R1.5 Cc1ccccc1F CUR-0101680 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.5 Cc1ccccc1N CUR-0016164 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.5 Cc1ccccc1N CUR-0101242 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.5 Cc1ccccc1O CUR-0027741 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.5 Cc1cccnc1Cl CUR-0008797 [0,1,0,0,0,1|1,0,0]=3 249 B8R1.5 Cc1cccnc1N CUR-0101662 [0,1,0,0,0,1|1,0,0]=3 250 B8R1.5 Cc1ccncc1N CUR-0015782 [0,1,0,0,0,1|1,0,0]=3 251 B8R1.5 Cc1cnc[nH]c1=O CUR-0099608 [0,1,0,0,0,1|0,0,0]=2 252 B8R1.5 c1cc(c(nc1)Br)O CUR-0102938 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.5 c1cc(c(nc1)Cl)Br CUR-0021367 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.5 c1cc(c(nc1)Cl)Cl CUR-0008816 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.5 c1cc(c(nc1)Cl)F CUR-0101985 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.5 c1cc(c(nc1)Cl)N CUR-0012143 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.5 c1cc(c(nc1)Cl)O CUR-0101955 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.5 c1cc(c(nc1)N)Cl CUR-0099703 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.5 c1cc(c(nc1)N)O CUR-0101679 [0,1,0,0,0,1|2,0,0]=4 260 B8R1.5 c1cnc(c(n1)Cl)Cl CUR-0001643 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.5 c1cncc(c1Cl)Cl CUR-0102305 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.5 c1cncc(c1N)Br CUR-0096183 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.5 c1cncc(c1N)N CUR-0026365 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.1 COC1=CC(=O)NC1 CUR-0099929 [0,2,0,0,0,0|1,0,1]=4 265 B8R1.1 Cc1cc(n[nH]1)CCl CUR-0100596 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.1 Cc1cc(n[nH]1)CO CUR-0029223 [0,2,0,0,0,0|2,0,0]=4 267 B8R1.1 Cc1cc(no1)CCl CUR-0101986 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.1 Cc1cc(no1)CN CUR-0100814 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.1 Cc1cc(on1)CBr CUR-0046550 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.1 Cn1cc(cn1)C=O CUR-0004237 [0,2,0,0,0,0|0,0,1]=3 271 B8R1.1 Cn1cc(cn1)CO CUR-0097376 [0,2,0,0,0,0|0,0,0]=2 272 B8R1.1 Cn1cc(cn1)NN CUR-0092236 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.1 Cn1cc(nc1)CO CUR-0073128 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.1 Cn1cc(nn1)CCl CUR-0010148 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.1 Cn1cc(nn1)CO CUR-0022366 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.7 CC(=O)c1ccsc1 CUR-0101893 [0,2,0,0,0,0|2,0,0]=4 277 B8R1.7 C[C@@H](c1cnco1)N CUR-0153543 [0,2,0,0,0,0|2,0,0]=4 278 B8R1.7 c1c(cn[nH]1)C(=O)O CUR-0018646 [0,2,0,0,0,0|0,0,1]=3 279 B8R1.7 c1c(cn[nH]1)[N+](=O)[O-] CUR-0029063 [0,2,0,0,0,0|1,0,0]=3 280 B8R1.7 c1c(n[nH]n1)C(=O)O CUR-0100737 [0,2,0,0,0,0|1,0,1]=4 281 B8R1.8 CNCc1c[nH]nn1 CUR-0153391 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.8 c1c(nc[nH]1)CCN CUR-0001249 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.8 c1c(nc[nH]1)CCN CUR-0103145 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.8 c1cn(cn1)CCN CUR-0099311 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.8 c1cocc1CCN CUR-0000916 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.8 c1cscc1CCN CUR-0014064 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.11 C(c1c(snn1)Cl)Cl CUR-0002240 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.11 CNc1nccn1C CUR-0083787 [0,2,0,0,0,0|2,0,0]=4 289 B8R1.11 Cc1c([nH]cn1)CO CUR-0121777 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.11 Cc1c(c[nH]n1)CN CUR-0001210 [0,2,0,0,0,0|0,0,0]=2 291 B8R1.11 Cc1c(cno1)CCl CUR-0004705 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.11 Cc1c(cno1)CN CUR-0023312 [0,2,0,0,0,0|1,0,0]=3 293 B8R1.11 Cc1c(cno1)CN CUR-0153018 [0,2,0,0,0,0|1,0,0]=3 294 B8R1.11 Cc1c(nco1)CCl CUR-0023322 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.11 Cc1c(non1)CN CUR-0082601 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.11 Cc1ccsc1C=O CUR-0101892 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.11 Cn1c(ccn1)CN CUR-0029110 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.11 Cn1ccnc1C=O CUR-0023364 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.11 Cn1ccnc1CCl CUR-0000771 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.11 Cn1ccnc1CN CUR-0003271 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.11 Cn1ccnc1CN CUR-0101295 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.11 Cn1ccnc1CO CUR-0025223 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.11 Cn1ccnc1CO CUR-0101247 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.11 Cn1cncc1C=O CUR-0023370 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.11 Cn1cncc1CN CUR-0101303 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.11 Cn1cncc1CO CUR-0101138 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.11 Cn1cnnc1CCl CUR-0006556 [0,2,0,0,0,0|1,0,1]=4 308 B8R1.18 CC1=CC(=O)OC1=O CUR-0008099 [0,2,0,0,0,0|2,0,0]=4 309 B8R1.18 Cc1c(sc(n1)Br)C CUR-0099046 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.18 Cc1c(sc(n1)N)C CUR-0098892 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.18 Cc1cc(=O)[nH]n1C CUR-0155221 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.18 Cc1cc(n(n1)C)N CUR-0099145 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.50 Cc1c([nH]nc1C)C CUR-0085144 [0,2,0,0,0,0|0,0,0]=2 314 B8R1.50 Cc1c(c(n[nH]1)C)Br CUR-0095880 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.50 Cc1c(c(on1)N)Br CUR-0012937 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.50 Cc1nnc(n1C)S CUR-0101342 [0,2,0,0,0,0|1,0,1]=4 317 B8R1.50 Cc1nnc(n1C)[S-] CUR-0101341 [0,2,0,0,0,0|1,0,1]=4 318 B6R1.1 c1ccncc1 CUR-0022962 [0,0,1,1,0,0|1,0,1]=4 319 B6R1.1 c1ccncc1 CUR-0027966 [0,0,1,1,0,0|1,0,1]=4 320 B6R1.1 c1ccncc1 CUR-0101574 [0,0,1,1,0,0|1,0,1]=4 321 B6R1.1 c1cnccn1 CUR-0101472 [0,0,1,1,0,0|2,0,0]=4