0 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,0,0,0,0,0|1,1,1]=3 1 B6R1.2 C1CSC(=N)N1 CUR-0101395 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 C1CSC(=N1)N CUR-0013303 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 C1CSC(=N1)N CUR-0101202 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 C1CSC(=N1)S CUR-0101794 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 Cc1ccco1 CUR-0026171 [0,0,0,0,0,0|1,1,0]=2 8 B6R1.2 Cc1cccs1 CUR-0101571 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 Cc1ccno1 CUR-0100786 [0,0,0,0,0,0|2,1,0]=3 10 B6R1.2 Cc1ccsc1 CUR-0006917 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 Cc1cscn1 CUR-0101579 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 Cn1cccc1 CUR-0101475 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 Cn1cccn1 CUR-0023331 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 Cn1ccnc1 CUR-0022901 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 c1(nnns1)N CUR-0095868 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 c1[nH]nc(n1)N CUR-0003118 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 c1c(cn[nH]1)Br CUR-0028319 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 c1c(cn[nH]1)N CUR-0003042 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 c1c(con1)N CUR-0100627 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 c1c(nsn1)Cl CUR-0099633 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 c1c[nH]nc1N CUR-0101482 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 c1cc(sc1)Br CUR-0102679 [0,0,0,0,0,0|1,0,0]=1 23 B6R1.2 c1cc(sc1)Cl CUR-0013952 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 c1cc(sc1)I CUR-0103583 [0,0,0,0,0,0|1,0,0]=1 25 B6R1.2 c1cnc([nH]1)S CUR-0010371 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [0,0,0,0,0,0|1,1,1]=3 27 B6R1.2 c1coc(n1)N CUR-0003564 [0,0,0,0,0,0|2,1,0]=3 28 B6R1.2 c1cocc1Br CUR-0102292 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 c1conc1N CUR-0101483 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 c1csc(n1)Br CUR-0013712 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 c1csc(n1)N CUR-0023749 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 c1cscc1Br CUR-0102678 [0,0,0,0,0,0|3,0,0]=3 33 B6R1.2 c1cscc1F CUR-0098914 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 c1cscc1N CUR-0103243 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 c1nnc(o1)N CUR-0009126 [0,0,0,0,0,0|3,1,0]=4 36 B6R1.2 c1nnc(s1)Cl CUR-0000896 [0,0,0,0,0,0|3,0,0]=3 37 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,0,0,0|0,1,2]=4 38 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,0,0,0|0,1,2]=4 39 B5R1.1 c1[nH]cnn1 CUR-0013962 [1,0,0,0,0,0|3,0,0]=4 40 B5R1.1 c1c[nH]nc1 CUR-0027742 [1,0,0,0,0,0|2,0,0]=3 41 B5R1.1 c1cc[nH]c1 CUR-0101433 [1,0,0,0,0,0|1,0,0]=2 42 B5R1.1 c1ccoc1 CUR-0017577 [1,0,0,0,0,0|0,1,0]=2 43 B5R1.1 c1ccsc1 CUR-0023526 [1,0,0,0,0,0|0,0,0]=1 44 B5R1.1 c1cnc[nH]1 CUR-0006831 [1,0,0,0,0,0|2,0,0]=3 45 B5R1.1 c1cnn[nH]1 CUR-0101439 [1,0,0,0,0,0|3,0,0]=4 46 B5R1.1 c1cnoc1 CUR-0101437 [1,0,0,0,0,0|1,1,0]=3 47 B7R1.1 C#Cc1nccs1 CUR-0144303 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 CCc1[nH]ccn1 CUR-0101562 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 CCc1cccs1 CUR-0101705 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.1 c1c([nH]cn1)CCl CUR-0120555 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [0,1,0,0,0,0|2,1,0]=4 52 B7R1.1 c1c(nco1)CCl CUR-0008214 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 c1c(ocn1)CN CUR-0161748 [0,1,0,0,0,0|2,1,0]=4 54 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [0,1,0,0,0,0|1,1,0]=3 55 B7R1.1 c1cc(oc1)C#N CUR-0101548 [0,1,0,0,0,0|1,1,0]=3 56 B7R1.1 c1cc(oc1)C=O CUR-0027369 [0,1,0,0,0,0|0,2,0]=3 57 B7R1.1 c1cc(oc1)CN CUR-0006239 [0,1,0,0,0,0|1,1,0]=3 58 B7R1.1 c1cc(oc1)CO CUR-0018391 [0,1,0,0,0,0|0,2,0]=3 59 B7R1.1 c1cc(oc1)CS CUR-0101724 [0,1,0,0,0,0|0,1,0]=2 60 B7R1.1 c1cc(sc1)C#N CUR-0101678 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.1 c1cc(sc1)C=O CUR-0025426 [0,1,0,0,0,0|0,1,0]=2 62 B7R1.1 c1cc(sc1)CN CUR-0000390 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.1 c1cc(sc1)CO CUR-0023830 [0,1,0,0,0,0|0,1,0]=2 64 B7R1.1 c1cn[nH]c1CN CUR-0011116 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 c1cnc([nH]1)C=O CUR-0002735 [0,1,0,0,0,0|2,1,0]=4 66 B7R1.1 c1cnoc1CN CUR-0084598 [0,1,0,0,0,0|2,1,0]=4 67 B7R1.1 c1cocc1C=O CUR-0101559 [0,1,0,0,0,0|2,1,0]=4 68 B7R1.1 c1conc1CCl CUR-0006498 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.1 c1csc(n1)CCl CUR-0101254 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 c1cscc1C#N CUR-0101677 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.1 c1cscc1C=O CUR-0026809 [0,1,0,0,0,0|2,1,0]=4 72 B7R1.1 c1cscc1CO CUR-0029172 [0,1,0,0,0,0|2,1,0]=4 73 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [0,1,0,0,0,0|1,1,0]=3 74 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [0,1,0,0,0,0|0,2,0]=3 75 B7R1.2 C1C(=N)NC(=O)S1 CUR-0096040 [0,1,0,0,0,0|1,1,1]=4 76 B7R1.2 C1C(=O)NC(=S)S1 CUR-0102016 [0,1,0,0,0,0|1,0,2]=4 77 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [0,1,0,0,0,0|2,1,0]=4 78 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 Cc1cc(n[nH]1)N CUR-0013118 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 Cc1cc(no1)N CUR-0024529 [0,1,0,0,0,0|2,1,0]=4 81 B7R1.2 Cc1cc(on1)C CUR-0101566 [0,1,0,0,0,0|2,1,0]=4 82 B7R1.2 Cc1cc(on1)N CUR-0022581 [0,1,0,0,0,0|2,1,0]=4 83 B7R1.2 Cc1cc(sn1)N CUR-0102387 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.2 Cc1ccc(o1)C CUR-0101561 [0,1,0,0,0,0|1,1,0]=3 85 B7R1.2 Cc1ccc(s1)C CUR-0012643 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.2 Cc1cnc(s1)N CUR-0101725 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.2 Cc1coc(n1)N CUR-0010957 [0,1,0,0,0,0|2,1,0]=4 88 B7R1.2 Cc1csc(n1)Br CUR-0099044 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.2 Cc1csc(n1)N CUR-0099540 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.2 Cc1csc(n1)S CUR-0101982 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.2 Cc1nc(sn1)Cl CUR-0026176 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.2 Cc1nnc(s1)Cl CUR-0021618 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 Cc1nnc(s1)N CUR-0101740 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.2 Cc1nnc(s1)S CUR-0099950 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.2 Cn1cc(cn1)I CUR-0001879 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.2 Cn1cc(cn1)N CUR-0010797 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.2 Cn1cc(cn1)N CUR-0100632 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 Cn1cc(cn1)O CUR-0006197 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.2 c1(nc([nH]n1)S)N CUR-0101752 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 c1(nnc(s1)Br)N CUR-0022639 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 c1(nnc(s1)S)N CUR-0102017 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.2 c1(nnc(s1)S)S CUR-0100806 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.2 c1c(nc(s1)Br)Br CUR-0100574 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.2 c1c(sc(n1)Br)Br CUR-0006343 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.4 Cc1c(c[nH]n1)Br CUR-0100170 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.4 Cc1nccn1C CUR-0101394 [0,1,0,0,0,0|3,0,0]=4 107 B7R1.4 Cn1ccnc1S CUR-0016488 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.4 Cn1cnnc1S CUR-0101739 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.4 c1[nH]c(c(n1)Br)Br CUR-0100573 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.4 c1[nH]c(c(n1)Br)Cl CUR-0121747 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.4 c1[nH]c(c(n1)Cl)Cl CUR-0102084 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.4 c1csc(c1Br)Br CUR-0018312 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.1 CC(=O)OC=C CUR-0001318 [0,0,1,0,0,0|0,2,1]=4 114 B5R0.1 C\C=C\C(=O)O CUR-0100765 [0,0,1,0,0,0|0,2,1]=4 115 B5R0.3 COC(=O)C=C CUR-0018588 [0,0,1,0,0,0|0,2,1]=4 116 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,0,0,0,0,1|1,1,1]=4 117 B7R1.3 Cc1ccccn1 CUR-0005465 [0,0,0,0,0,1|2,0,0]=3 118 B7R1.3 Cc1cccnc1 CUR-0100815 [0,0,0,0,0,1|2,0,0]=3 119 B7R1.3 Cc1ccncc1 CUR-0027079 [0,0,0,0,0,1|2,0,0]=3 120 B7R1.3 Cc1cnccn1 CUR-0100916 [0,0,0,0,0,1|2,0,0]=3 121 B7R1.3 c1c(cncn1)Br CUR-0004760 [0,0,0,0,0,1|3,0,0]=4 122 B7R1.3 c1c(cncn1)I CUR-0026023 [0,0,0,0,0,1|3,0,0]=4 123 B7R1.3 c1cc(=O)[nH]nc1 CUR-0115206 [0,0,0,0,0,1|1,1,0]=3 124 B7R1.3 c1cc(cnc1)Br CUR-0009235 [0,0,0,0,0,1|2,0,0]=3 125 B7R1.3 c1cc(cnc1)F CUR-0101564 [0,0,0,0,0,1|2,0,0]=3 126 B7R1.3 c1cc(cnc1)N CUR-0019682 [0,0,0,0,0,1|2,0,0]=3 127 B7R1.3 c1cc(cnc1)O CUR-0101555 [0,0,0,0,0,1|1,1,0]=3 128 B7R1.3 c1cc(nnc1)S CUR-0097040 [0,0,0,0,0,1|1,0,0]=2 129 B7R1.3 c1cc[n+](cc1)[O-] CUR-0003254 [0,0,0,0,0,1|2,1,0]=4 130 B7R1.3 c1cc[nH]c(=O)c1 CUR-0101554 [0,0,0,0,0,1|1,1,0]=3 131 B7R1.3 c1ccc(cc1)Br CUR-0101195 [0,0,0,0,0,1|2,0,0]=3 132 B7R1.3 c1ccc(cc1)Cl CUR-0027821 [0,0,0,0,0,1|2,0,0]=3 133 B7R1.3 c1ccc(cc1)F CUR-0101403 [0,0,0,0,0,1|2,0,0]=3 134 B7R1.3 c1ccc(cc1)I CUR-0025654 [0,0,0,0,0,1|2,0,0]=3 135 B7R1.3 c1ccc(cc1)N CUR-0004820 [0,0,0,0,0,1|2,0,0]=3 136 B7R1.3 c1ccc(cc1)N CUR-0101212 [0,0,0,0,0,1|2,0,0]=3 137 B7R1.3 c1ccc(cc1)O CUR-0014170 [0,0,0,0,0,1|1,1,0]=3 138 B7R1.3 c1ccc(cc1)S CUR-0028213 [0,0,0,0,0,1|1,0,0]=2 139 B7R1.3 c1ccnc(c1)Br CUR-0027498 [0,0,0,0,0,1|2,0,0]=3 140 B7R1.3 c1ccnc(c1)Cl CUR-0025795 [0,0,0,0,0,1|2,0,0]=3 141 B7R1.3 c1ccnc(c1)F CUR-0001564 [0,0,0,0,0,1|2,0,0]=3 142 B7R1.3 c1ccnc(c1)N CUR-0014738 [0,0,0,0,0,1|2,0,0]=3 143 B7R1.3 c1ccnc(c1)S CUR-0101115 [0,0,0,0,0,1|1,0,0]=2 144 B7R1.3 c1cnc(cn1)Cl CUR-0011494 [0,0,0,0,0,1|2,0,0]=3 145 B7R1.3 c1cnc(cn1)N CUR-0026531 [0,0,0,0,0,1|2,0,0]=3 146 B7R1.3 c1cnc(nc1)N CUR-0016913 [0,0,0,0,0,1|2,0,0]=3 147 B7R1.3 c1cnc(nc1)S CUR-0101701 [0,0,0,0,0,1|1,0,0]=2 148 B7R1.3 c1cnccc1Br CUR-0024741 [0,0,0,0,0,1|2,0,0]=3 149 B7R1.3 c1cnccc1Cl CUR-0000753 [0,0,0,0,0,1|2,0,0]=3 150 B7R1.3 c1cnccc1Cl CUR-0101201 [0,0,0,0,0,1|2,0,0]=3 151 B7R1.3 c1cnccc1N CUR-0006858 [0,0,0,0,0,1|2,0,0]=3 152 B7R1.3 c1cnnc(n1)N CUR-0015994 [0,0,0,0,0,1|3,0,0]=4 153 B4R0.1 C=CC(=O)Cl CUR-0101542 [1,0,1,0,0,0|1,1,0]=4 154 B4R0.1 C=CC(=O)N CUR-0007166 [1,0,1,0,0,0|1,1,0]=4 155 B4R0.1 C=CC(=O)O CUR-0028045 [1,0,1,0,0,0|0,2,0]=4 156 B4R0.1 CC(=C)C=O CUR-0101443 [1,0,1,0,0,0|2,0,0]=4 157 B4R0.1 CC(=O)C=C CUR-0013098 [1,0,1,0,0,0|0,1,1]=4 158 B4R0.2 C\C=C\C=O CUR-0001472 [1,0,1,0,0,0|0,1,1]=4 159 B8R1.2 C#Cc1ccccc1 CUR-0028923 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.2 C=Cc1ccccc1 CUR-0016228 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.2 C=Cc1ccccn1 CUR-0101649 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.2 C=Cc1ccncc1 CUR-0007620 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.2 CCc1ccccc1 CUR-0101653 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.2 CNc1ccccc1 CUR-0101656 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.2 COc1ccccc1 CUR-0026843 [0,1,0,0,0,1|1,1,0]=4 166 B8R1.2 COc1ccncc1 CUR-0101402 [0,1,0,0,0,1|1,1,0]=4 167 B8R1.2 CSc1ccccc1 CUR-0101870 [0,1,0,0,0,1|1,0,0]=3 168 B8R1.2 c1cc(cnc1)C#N CUR-0019652 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.2 c1cc(cnc1)C=O CUR-0007220 [0,1,0,0,0,1|1,1,0]=4 170 B8R1.2 c1cc(cnc1)CCl CUR-0002750 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.2 c1cc(cnc1)CN CUR-0027066 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.2 c1cc(cnc1)CO CUR-0101674 [0,1,0,0,0,1|1,1,0]=4 173 B8R1.2 c1ccc(cc1)C#N CUR-0014272 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.2 c1ccc(cc1)C=O CUR-0027632 [0,1,0,0,0,1|1,1,0]=4 175 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.2 c1ccc(cc1)CN CUR-0009810 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.2 c1ccc(cc1)CN CUR-0101294 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.2 c1ccc(cc1)CO CUR-0002024 [0,1,0,0,0,1|1,1,0]=4 180 B8R1.2 c1ccc(cc1)CS CUR-0005953 [0,1,0,0,0,1|1,0,0]=3 181 B8R1.2 c1ccc(cc1)NN CUR-0008900 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.2 c1ccc(cc1)NN CUR-0101278 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.2 c1ccnc(c1)C#N CUR-0017142 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.2 c1ccnc(c1)C=O CUR-0011586 [0,1,0,0,0,1|1,1,0]=4 185 B8R1.2 c1ccnc(c1)CCl CUR-0006464 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.2 c1ccnc(c1)CN CUR-0101659 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.2 c1ccnc(c1)CO CUR-0101669 [0,1,0,0,0,1|1,1,0]=4 188 B8R1.2 c1ccnc(c1)NN CUR-0101675 [0,1,0,0,0,1|2,0,0]=4 189 B8R1.2 c1cnc(cn1)C#N CUR-0014188 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.2 c1cnc(nc1)C#N CUR-0004515 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.2 c1cnccc1C#N CUR-0026031 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.2 c1cnccc1C=O CUR-0023499 [0,1,0,0,0,1|1,1,0]=4 193 B8R1.2 c1cnccc1CCl CUR-0005638 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.2 c1cnccc1CN CUR-0101658 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.2 c1cnccc1CO CUR-0101670 [0,1,0,0,0,1|1,1,0]=4 196 B8R1.2 c1cnccc1NN CUR-0097304 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.3 C1=CC(=O)C=CC1=O CUR-0018403 [0,1,0,0,0,1|1,1,0]=4 198 B8R1.3 Cc1cc[n+](cc1)[O-] CUR-0021329 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.3 Cc1ccc(=O)[nH]n1 CUR-0021706 [0,1,0,0,0,1|1,1,0]=4 200 B8R1.3 Cc1ccc(cc1)Br CUR-0014363 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.3 Cc1ccc(cc1)C CUR-0100820 [0,1,0,0,0,1|2,0,0]=4 202 B8R1.3 Cc1ccc(cc1)Cl CUR-0101900 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.3 Cc1ccc(cc1)F CUR-0101681 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.3 Cc1ccc(cc1)N CUR-0021477 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.3 Cc1ccc(cc1)N CUR-0101286 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.3 Cc1ccc(cc1)O CUR-0101071 [0,1,0,0,0,1|1,1,0]=4 207 B8R1.3 Cc1ccc(cc1)S CUR-0015249 [0,1,0,0,0,1|1,0,0]=3 208 B8R1.3 Cc1ccc(cn1)O CUR-0101672 [0,1,0,0,0,1|1,1,0]=4 209 B8R1.3 Cc1ccc(nc1)Cl CUR-0101909 [0,1,0,0,0,1|2,0,0]=4 210 B8R1.3 Cc1ccc(nc1)N CUR-0101661 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.3 Cc1ccc(nn1)Cl CUR-0023772 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.3 Cc1cnc(cn1)C CUR-0024462 [0,1,0,0,0,1|2,0,0]=4 213 B8R1.3 c1c(cnc(n1)Cl)Br CUR-0024844 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.3 c1c(cnc(n1)Cl)Cl CUR-0102322 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.3 c1c(cnc(n1)Cl)F CUR-0101997 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.3 c1c(cnc(n1)N)I CUR-0009198 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.3 c1cc(=O)[nH][nH]c1=O CUR-0109883 [0,1,0,0,0,1|1,1,0]=4 218 B8R1.3 c1cc(ccc1Cl)Br CUR-0103299 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.3 c1cc(ccc1Cl)Cl CUR-0025513 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.3 c1cc(ccc1Cl)I CUR-0103857 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.3 c1cc(ccc1F)F CUR-0101716 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.3 c1cc(ccc1F)I CUR-0100862 [0,1,0,0,0,1|2,0,0]=4 223 B8R1.3 c1cc(ccc1F)S CUR-0101922 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.3 c1cc(ccc1N)Br CUR-0001862 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.3 c1cc(ccc1N)Cl CUR-0009983 [0,1,0,0,0,1|2,0,0]=4 226 B8R1.3 c1cc(ccc1N)F CUR-0025311 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.3 c1cc(ccc1N)F CUR-0101313 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.3 c1cc(ccc1N)I CUR-0103680 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.3 c1cc(ccc1N)N CUR-0007726 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.3 c1cc(ccc1N)N CUR-0101209 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.3 c1cc(ccc1N)O CUR-0005141 [0,1,0,0,0,1|1,1,0]=4 232 B8R1.3 c1cc(ccc1N)S CUR-0101879 [0,1,0,0,0,1|1,0,0]=3 233 B8R1.3 c1cc(ccc1O)Br CUR-0026065 [0,1,0,0,0,1|1,1,0]=4 234 B8R1.3 c1cc(ccc1O)Cl CUR-0002073 [0,1,0,0,0,1|1,1,0]=4 235 B8R1.3 c1cc(ccc1O)F CUR-0015998 [0,1,0,0,0,1|1,1,0]=4 236 B8R1.3 c1cc(ccc1O)I CUR-0103689 [0,1,0,0,0,1|1,1,0]=4 237 B8R1.3 c1cc(ccc1O)O CUR-0028052 [0,1,0,0,0,1|1,1,0]=4 238 B8R1.3 c1cc(ccc1O)S CUR-0101891 [0,1,0,0,0,1|1,0,0]=3 239 B8R1.3 c1cc(ccc1S)Br CUR-0017458 [0,1,0,0,0,1|1,0,0]=3 240 B8R1.3 c1cc(ccc1S)Cl CUR-0102245 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.3 c1cc(ncc1Br)Br CUR-0103845 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.3 c1cc(ncc1Br)Cl CUR-0103313 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.3 c1cc(ncc1Cl)Cl CUR-0102306 [0,1,0,0,0,1|2,0,0]=4 244 B8R1.3 c1cc(ncc1Cl)N CUR-0013159 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.3 c1cc(ncc1F)Cl CUR-0101984 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.3 c1cc(ncc1I)Cl CUR-0103864 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.3 c1cc(ncc1N)Cl CUR-0101934 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.3 c1cc(nnc1Cl)Cl CUR-0019448 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.4 Cc1cc(cnc1)C CUR-0008137 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.4 Cc1cc(ncn1)Cl CUR-0097242 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.4 Cc1cc(ncn1)O CUR-0099849 [0,1,0,0,0,1|1,1,0]=4 252 B8R1.4 Cc1cc(ncn1)S CUR-0099850 [0,1,0,0,0,1|1,0,0]=3 253 B8R1.4 Cc1cc[nH]c(=O)c1 CUR-0008898 [0,1,0,0,0,1|1,1,0]=4 254 B8R1.4 Cc1cccc(c1)Br CUR-0102875 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.4 Cc1cccc(c1)C CUR-0101652 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.4 Cc1cccc(c1)F CUR-0014428 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.4 Cc1cccc(c1)N CUR-0014144 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.4 Cc1cccc(c1)O CUR-0101657 [0,1,0,0,0,1|1,1,0]=4 259 B8R1.4 Cc1cccc(n1)Br CUR-0003302 [0,1,0,0,0,1|2,0,0]=4 260 B8R1.4 Cc1cccc(n1)C CUR-0022045 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.4 Cc1cccc(n1)Cl CUR-0018003 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.4 Cc1cccc(n1)N CUR-0101660 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.4 Cc1ccnc(c1)Cl CUR-0101908 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.4 Cc1ccnc(c1)N CUR-0014373 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.4 Cc1ccnc(n1)C CUR-0100900 [0,1,0,0,0,1|2,0,0]=4 266 B8R1.4 Cc1ccnc(n1)N CUR-0099978 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.4 Cc1nccc(n1)O CUR-0009692 [0,1,0,0,0,1|1,1,0]=4 268 B8R1.4 c1c(cncc1Br)Br CUR-0103844 [0,1,0,0,0,1|2,0,0]=4 269 B8R1.4 c1c(nc(cn1)Cl)Cl CUR-0006549 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.4 c1c(ncnc1Cl)Cl CUR-0005730 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.4 c1c(ncnc1O)O CUR-0002163 [0,1,0,0,0,1|1,1,0]=4 272 B8R1.4 c1c[nH]c(=O)[nH]c1=O CUR-0101697 [0,1,0,0,0,1|1,1,0]=4 273 B8R1.4 c1cc(cc(c1)Br)N CUR-0022156 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.4 c1cc(cc(c1)Br)O CUR-0102910 [0,1,0,0,0,1|1,1,0]=4 275 B8R1.4 c1cc(cc(c1)Cl)Cl CUR-0102294 [0,1,0,0,0,1|2,0,0]=4 276 B8R1.4 c1cc(cc(c1)Cl)F CUR-0009433 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.4 c1cc(cc(c1)Cl)N CUR-0026020 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.4 c1cc(cc(c1)Cl)O CUR-0101935 [0,1,0,0,0,1|1,1,0]=4 279 B8R1.4 c1cc(cc(c1)F)F CUR-0101717 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.4 c1cc(cc(c1)F)N CUR-0028229 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.4 c1cc(cc(c1)F)O CUR-0101699 [0,1,0,0,0,1|1,1,0]=4 282 B8R1.4 c1cc(cc(c1)N)N CUR-0027756 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.4 c1cc(cc(c1)O)N CUR-0011750 [0,1,0,0,0,1|1,1,0]=4 284 B8R1.4 c1cc(cc(c1)O)O CUR-0006751 [0,1,0,0,0,1|1,1,0]=4 285 B8R1.4 c1cc(nc(c1)Br)Br CUR-0024763 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.4 c1cc(nc(c1)Cl)Cl CUR-0004790 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.4 c1cc(nc(c1)N)N CUR-0020790 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.4 c1cnc(cc1Cl)N CUR-0096742 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.4 c1cnc(cc1I)Br CUR-0096196 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.4 c1cnc(cc1N)Cl CUR-0101413 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.4 c1cnc(cc1N)N CUR-0021715 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.4 c1cnc(cc1O)N CUR-0064821 [0,1,0,0,0,1|1,1,0]=4 293 B8R1.4 c1cnc(nc1Cl)Cl CUR-0010963 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.4 c1cnc(nc1O)S CUR-0002098 [0,1,0,0,0,1|1,0,0]=3 295 B8R1.5 Cc1c(cccn1)Br CUR-0015052 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.5 Cc1c(cccn1)O CUR-0101673 [0,1,0,0,0,1|1,1,0]=4 297 B8R1.5 Cc1c(nccn1)O CUR-0023832 [0,1,0,0,0,1|1,1,0]=4 298 B8R1.5 Cc1cccc[n+]1C CUR-0000858 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.5 Cc1cccc[n+]1[O-] CUR-0101667 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.5 Cc1ccccc1C CUR-0015131 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.5 Cc1ccccc1Cl CUR-0010314 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.5 Cc1ccccc1F CUR-0101680 [0,1,0,0,0,1|2,0,0]=4 303 B8R1.5 Cc1ccccc1N CUR-0016164 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.5 Cc1ccccc1N CUR-0101242 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.5 Cc1ccccc1O CUR-0027741 [0,1,0,0,0,1|1,1,0]=4 306 B8R1.5 Cc1cccnc1Cl CUR-0008797 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.5 Cc1cccnc1N CUR-0101662 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.5 Cc1ccncc1N CUR-0015782 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.5 Cc1cnc[nH]c1=O CUR-0099608 [0,1,0,0,0,1|1,1,0]=4 310 B8R1.5 c1cc(c(nc1)Br)O CUR-0102938 [0,1,0,0,0,1|1,1,0]=4 311 B8R1.5 c1cc(c(nc1)Cl)Br CUR-0021367 [0,1,0,0,0,1|2,0,0]=4 312 B8R1.5 c1cc(c(nc1)Cl)Cl CUR-0008816 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.5 c1cc(c(nc1)Cl)F CUR-0101985 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.5 c1cc(c(nc1)Cl)N CUR-0012143 [0,1,0,0,0,1|2,0,0]=4 315 B8R1.5 c1cc(c(nc1)Cl)O CUR-0101955 [0,1,0,0,0,1|1,1,0]=4 316 B8R1.5 c1cc(c(nc1)N)Cl CUR-0099703 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.5 c1cc(c(nc1)N)O CUR-0101679 [0,1,0,0,0,1|1,1,0]=4 318 B8R1.5 c1ccc(c(c1)Cl)Cl CUR-0100912 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.5 c1ccc(c(c1)F)F CUR-0101718 [0,1,0,0,0,1|2,0,0]=4 320 B8R1.5 c1ccc(c(c1)F)I CUR-0103700 [0,1,0,0,0,1|2,0,0]=4 321 B8R1.5 c1ccc(c(c1)N)Br CUR-0101226 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.5 c1ccc(c(c1)N)Cl CUR-0011852 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.5 c1ccc(c(c1)N)Cl CUR-0101218 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.5 c1ccc(c(c1)N)F CUR-0008308 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.5 c1ccc(c(c1)N)I CUR-0103679 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.5 c1ccc(c(c1)N)N CUR-0004938 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.5 c1ccc(c(c1)N)N CUR-0101213 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.5 c1ccc(c(c1)N)O CUR-0006752 [0,1,0,0,0,1|1,1,0]=4 329 B8R1.5 c1ccc(c(c1)N)S CUR-0101198 [0,1,0,0,0,1|1,0,0]=3 330 B8R1.5 c1ccc(c(c1)O)Cl CUR-0101933 [0,1,0,0,0,1|1,1,0]=4 331 B8R1.5 c1ccc(c(c1)O)F CUR-0005154 [0,1,0,0,0,1|1,1,0]=4 332 B8R1.5 c1ccc(c(c1)O)O CUR-0028892 [0,1,0,0,0,1|1,1,0]=4 333 B8R1.5 c1ccc(c(c1)O)S CUR-0002675 [0,1,0,0,0,1|1,0,0]=3 334 B8R1.5 c1cnc(c(n1)Cl)Cl CUR-0001643 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.5 c1cncc(c1Cl)Cl CUR-0102305 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.5 c1cncc(c1N)Br CUR-0096183 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.5 c1cncc(c1N)N CUR-0026365 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.1 Cc1ccc(o1)C=O CUR-0005618 [0,2,0,0,0,0|0,2,0]=4 340 B8R1.1 Cc1ccc(s1)C=O CUR-0101894 [0,2,0,0,0,0|0,1,0]=3 341 B8R1.1 Cc1csc(n1)CN CUR-0013862 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.1 Cc1nc(cs1)CBr CUR-0153526 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.1 Cc1nc(cs1)CCl CUR-0015710 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.1 Cc1nc(cs1)CCl CUR-0102304 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.1 c1c(csc1C=O)Br CUR-0103281 [0,2,0,0,0,0|0,1,0]=3 346 B8R1.1 c1c(nc(s1)N)CO CUR-0100722 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.1 c1c(sc(n1)N)C#N CUR-0008352 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.1 c1cc(oc1C#N)Br CUR-0011234 [0,2,0,0,0,0|1,1,0]=4 349 B8R1.1 c1cc(oc1C#N)I CUR-0134322 [0,2,0,0,0,0|1,1,0]=4 350 B8R1.1 c1cc(oc1C=O)Br CUR-0102965 [0,2,0,0,0,0|0,2,0]=4 351 B8R1.1 c1cc(sc1C=O)Br CUR-0103280 [0,2,0,0,0,0|0,1,0]=3 352 B8R1.1 c1cc(sc1C=O)Cl CUR-0102289 [0,2,0,0,0,0|0,1,0]=3 353 B8R1.1 c1cc(sc1CCl)Cl CUR-0004445 [0,2,0,0,0,0|1,0,0]=3 354 B8R1.7 B(c1ccco1)(O)O CUR-0101693 [0,2,0,0,0,0|0,2,0]=4 355 B8R1.7 B(c1cccs1)(O)O CUR-0101911 [0,2,0,0,0,0|0,1,0]=3 356 B8R1.7 CC(=O)c1ccc[nH]1 CUR-0101124 [0,2,0,0,0,0|1,1,0]=4 357 B8R1.7 CC(=O)c1ccco1 CUR-0101070 [0,2,0,0,0,0|0,2,0]=4 358 B8R1.7 CC(=O)c1cccs1 CUR-0101065 [0,2,0,0,0,0|0,1,0]=3 359 B8R1.7 CC(=O)c1nccs1 CUR-0101903 [0,2,0,0,0,0|1,1,0]=4 360 B8R1.7 c1cc([nH]c1)C(=O)O CUR-0007828 [0,2,0,0,0,0|1,1,0]=4 361 B8R1.7 c1cc(oc1)C(=N)N CUR-0101053 [0,2,0,0,0,0|1,1,0]=4 362 B8R1.7 c1cc(oc1)C(=O)Cl CUR-0101970 [0,2,0,0,0,0|0,2,0]=4 363 B8R1.7 c1cc(oc1)C(=O)O CUR-0018564 [0,2,0,0,0,0|0,2,0]=4 364 B8R1.7 c1cc(sc1)C(=N)N CUR-0101042 [0,2,0,0,0,0|1,0,0]=3 365 B8R1.7 c1cc(sc1)C(=O)O CUR-0004913 [0,2,0,0,0,0|0,1,0]=3 366 B8R1.8 CNCc1ccco1 CUR-0097176 [0,2,0,0,0,0|1,1,0]=4 367 B8R1.8 c1cc(sc1)CC#N CUR-0101414 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.8 c1cc(sc1)CCCl CUR-0025864 [0,2,0,0,0,0|1,0,0]=3 369 B8R1.8 c1cc(sc1)CCN CUR-0024737 [0,2,0,0,0,0|1,0,0]=3 370 B8R1.8 c1cc(sc1)CCO CUR-0101927 [0,2,0,0,0,0|0,1,0]=3 371 B8R1.8 c1cc(sc1)N=C=O CUR-0030121 [0,2,0,0,0,0|0,1,0]=3 372 B8R1.8 c1csc(n1)CCN CUR-0098678 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.8 c1csc(n1)CCO CUR-0094997 [0,2,0,0,0,0|1,1,0]=4 374 B8R1.11 Cc1ccsc1C=O CUR-0101892 [0,2,0,0,0,0|0,1,0]=3 375 B8R1.11 Cn1cccc1C=O CUR-0101671 [0,2,0,0,0,0|1,1,0]=4 376 B8R1.11 c1csc(c1C#N)N CUR-0095473 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.18 CC1=CC(=O)OC1=O CUR-0008099 [0,2,0,0,0,0|0,2,0]=4 378 B8R1.18 Cc1c(sc(n1)Br)C CUR-0099046 [0,2,0,0,0,0|2,0,0]=4 379 B8R1.18 Cc1c(sc(n1)N)C CUR-0098892 [0,2,0,0,0,0|2,0,0]=4 380 B8R1.50 CN1C(=O)C=CC1=O CUR-0101689 [0,2,0,0,0,0|1,1,0]=4 381 B8R1.50 Cc1ccc(n1N)C CUR-0063890 [0,2,0,0,0,0|2,0,0]=4 382 B6R1.1 c1ccncc1 CUR-0022962 [0,0,1,1,0,0|2,0,0]=4 383 B6R1.1 c1ccncc1 CUR-0027966 [0,0,1,1,0,0|2,0,0]=4 384 B6R1.1 c1ccncc1 CUR-0101574 [0,0,1,1,0,0|2,0,0]=4