0 B7R1.1 C#Cc1nccs1 CUR-0144303 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.1 CCc1[nH]ccn1 CUR-0101562 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 CCc1cccs1 CUR-0101705 [0,0,0,0,0,0|1,1,1]=3 3 B7R1.1 c1c([nH]cn1)CCl CUR-0120555 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 c1c(nco1)CCl CUR-0008214 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 c1c(ocn1)CN CUR-0161748 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.1 c1cc(oc1)C#N CUR-0101548 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.1 c1cc(oc1)C=O CUR-0027369 [0,0,0,0,0,0|0,0,0]=0 10 B7R1.1 c1cc(oc1)CN CUR-0006239 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.1 c1cc(oc1)CO CUR-0018391 [0,0,0,0,0,0|0,0,2]=2 12 B7R1.1 c1cc(oc1)CS CUR-0101724 [0,0,0,0,0,0|0,1,1]=2 13 B7R1.1 c1cc(sc1)C#N CUR-0101678 [0,0,0,0,0,0|1,1,1]=3 14 B7R1.1 c1cc(sc1)C=O CUR-0025426 [0,0,0,0,0,0|0,1,0]=1 15 B7R1.1 c1cc(sc1)CN CUR-0000390 [0,0,0,0,0,0|1,1,1]=3 16 B7R1.1 c1cc(sc1)CO CUR-0023830 [0,0,0,0,0,0|0,1,2]=3 17 B7R1.1 c1cn[nH]c1CN CUR-0011116 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 c1cnc([nH]1)C=O CUR-0002735 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 c1cnoc1CN CUR-0084598 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.1 c1cocc1C=O CUR-0101559 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.1 c1conc1CCl CUR-0006498 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 c1csc(n1)CCl CUR-0101254 [0,0,0,0,0,0|2,1,1]=4 23 B7R1.1 c1cscc1C#N CUR-0101677 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 c1cscc1C=O CUR-0026809 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 c1cscc1CO CUR-0029172 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.1 c1nc(on1)CBr CUR-0059734 [0,0,0,0,0,0|3,0,1]=4 27 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,0,0,0|1,0,1]=3 28 B6R1.2 C1CC(=O)OC1 CUR-0101496 [1,0,0,0,0,0|0,0,3]=4 29 B6R1.2 C1COC(=O)N1 CUR-0101507 [1,0,0,0,0,0|1,0,2]=4 30 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [1,0,0,0,0,0|2,0,1]=4 31 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 Cc1ccco1 CUR-0026171 [1,0,0,0,0,0|0,0,1]=2 33 B6R1.2 Cc1cccs1 CUR-0101571 [1,0,0,0,0,0|0,1,1]=3 34 B6R1.2 Cc1ccno1 CUR-0100786 [1,0,0,0,0,0|1,0,1]=3 35 B6R1.2 Cc1ccsc1 CUR-0006917 [1,0,0,0,0,0|2,0,1]=4 36 B6R1.2 Cc1cscn1 CUR-0101579 [1,0,0,0,0,0|2,0,1]=4 37 B6R1.2 Cn1cccc1 CUR-0101475 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 Cn1cccn1 CUR-0023331 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 c1c[nH]nc1N CUR-0101482 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 c1cc(sc1)Br CUR-0102679 [1,0,0,0,0,0|1,1,0]=3 41 B6R1.2 c1cc(sc1)Cl CUR-0013952 [1,0,0,0,0,0|1,1,0]=3 42 B6R1.2 c1cc(sc1)I CUR-0103583 [1,0,0,0,0,0|1,1,0]=3 43 B6R1.2 c1cnc([nH]1)S CUR-0010371 [1,0,0,0,0,0|2,1,0]=4 44 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [1,0,0,0,0,0|1,1,0]=3 45 B6R1.2 c1coc(n1)N CUR-0003564 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 c1cocc1Br CUR-0102292 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 c1conc1N CUR-0101483 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 c1csc(n1)Br CUR-0013712 [1,0,0,0,0,0|2,1,0]=4 49 B6R1.2 c1csc(n1)N CUR-0023749 [1,0,0,0,0,0|2,1,0]=4 50 B6R1.2 c1cscc1Br CUR-0102678 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 c1cscc1F CUR-0098914 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 c1cscc1N CUR-0103243 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 c1nnc(o1)N CUR-0009126 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,1,0,0,0,0|1,1,1]=4 55 B8R1.1 Cc1cc(on1)CBr CUR-0046550 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 Cc1ccc(o1)C=O CUR-0005618 [0,1,0,0,0,0|0,0,0]=1 57 B8R1.1 Cc1ccc(s1)C=O CUR-0101894 [0,1,0,0,0,0|0,1,0]=2 58 B8R1.1 Cn1cc(cn1)C=O CUR-0004237 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 Cn1ccc(n1)C=O CUR-0029180 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.1 c1c(csc1C=O)Br CUR-0103281 [0,1,0,0,0,0|0,1,0]=2 61 B8R1.1 c1cc(oc1C#N)Br CUR-0011234 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.1 c1cc(oc1C#N)I CUR-0134322 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.1 c1cc(oc1C=O)Br CUR-0102965 [0,1,0,0,0,0|0,0,0]=1 64 B8R1.1 c1cc(sc1C=O)Br CUR-0103280 [0,1,0,0,0,0|0,1,0]=2 65 B8R1.1 c1cc(sc1C=O)Cl CUR-0102289 [0,1,0,0,0,0|0,1,0]=2 66 B8R1.1 c1cc(sc1CCl)Cl CUR-0004445 [0,1,0,0,0,0|1,1,1]=4 67 B8R1.7 B(c1ccco1)(O)O CUR-0101693 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.7 B(c1cccs1)(O)O CUR-0101911 [0,1,0,0,0,0|1,1,1]=4 69 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.7 CC(=O)c1ccc[nH]1 CUR-0101124 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.7 CC(=O)c1ccco1 CUR-0101070 [0,1,0,0,0,0|0,0,0]=1 72 B8R1.7 CC(=O)c1cccs1 CUR-0101065 [0,1,0,0,0,0|0,1,0]=2 73 B8R1.7 CC(=O)c1ccsc1 CUR-0101893 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.7 CC(=O)c1nccs1 CUR-0101903 [0,1,0,0,0,0|1,1,0]=3 75 B8R1.7 C[C@@H](c1cnco1)N CUR-0153543 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.7 c1[nH]nc(n1)C(=O)O CUR-0101706 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.7 c1c(cn[nH]1)C(=O)O CUR-0018646 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.7 c1c(n[nH]n1)C(=O)O CUR-0100737 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.7 c1c(nc[nH]1)C(=O)O CUR-0120304 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.7 c1c(nc[nH]1)[N+](=O)[O-] CUR-0012768 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.7 c1c(nco1)C(=O)O CUR-0013579 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.7 c1c(ncs1)C(=O)O CUR-0008354 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.7 c1c(nns1)C(=O)O CUR-0004828 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.7 c1c(nsn1)C(=O)O CUR-0099141 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.7 c1c(ocn1)C(=O)O CUR-0019436 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.7 c1c(snn1)C(=O)O CUR-0015233 [0,1,0,0,0,0|2,1,0]=4 87 B8R1.7 c1c[nH]nc1C(=O)N CUR-0029107 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.7 c1cc([nH]c1)C(=O)O CUR-0007828 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.7 c1cc(oc1)C(=N)N CUR-0101053 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.7 c1cc(oc1)C(=O)Cl CUR-0101970 [0,1,0,0,0,0|0,0,0]=1 91 B8R1.7 c1cc(oc1)C(=O)O CUR-0018564 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.7 c1cc(sc1)C(=N)N CUR-0101042 [0,1,0,0,0,0|1,1,0]=3 93 B8R1.7 c1cc(sc1)C(=O)O CUR-0004913 [0,1,0,0,0,0|0,1,0]=2 94 B8R1.7 c1cn[nH]c1C(=O)O CUR-0013253 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.7 c1cnoc1C(=O)O CUR-0021415 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.7 c1cocc1C(=O)Cl CUR-0031259 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.7 c1cocc1C(=O)O CUR-0017945 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.7 c1cscc1C(=O)N CUR-0074435 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.7 c1cscc1C(=O)O CUR-0002431 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.8 CNCc1ccco1 CUR-0097176 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.8 c1cc(sc1)CC#N CUR-0101414 [0,1,0,0,0,0|1,1,1]=4 102 B8R1.8 c1cc(sc1)CCCl CUR-0025864 [0,1,0,0,0,0|1,1,1]=4 103 B8R1.8 c1cc(sc1)CCN CUR-0024737 [0,1,0,0,0,0|1,1,1]=4 104 B8R1.8 c1cc(sc1)CCO CUR-0101927 [0,1,0,0,0,0|0,1,2]=4 105 B8R1.8 c1cc(sc1)N=C=O CUR-0030121 [0,1,0,0,0,0|0,1,1]=3 106 B8R1.11 Cc1ccsc1C=O CUR-0101892 [0,1,0,0,0,0|0,1,0]=2 107 B8R1.11 Cn1cccc1C=O CUR-0101671 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.11 Cn1ccnc1C=O CUR-0023364 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.11 Cn1cncc1C=O CUR-0023370 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.1 CCOC(=O)C=O CUR-0101612 [0,0,1,0,0,0|1,0,2]=4 111 B8R1.2 C#Cc1ccccc1 CUR-0028923 [0,0,0,0,0,1|2,0,1]=4 112 B8R1.2 C1CC(=COC1)C=O CUR-0100474 [0,0,0,0,0,1|0,0,3]=4 113 B8R1.2 C1CC(CC=C1)C=O CUR-0018878 [0,0,0,0,0,1|1,0,2]=4 114 B8R1.2 C=Cc1ccccc1 CUR-0016228 [0,0,0,0,0,1|2,0,0]=3 115 B8R1.2 C=Cc1ccccn1 CUR-0101649 [0,0,0,0,0,1|2,0,0]=3 116 B8R1.2 C=Cc1ccncc1 CUR-0007620 [0,0,0,0,0,1|2,0,0]=3 117 B8R1.2 CCc1ccccc1 CUR-0101653 [0,0,0,0,0,1|2,0,1]=4 118 B8R1.2 CNc1ccccc1 CUR-0101656 [0,0,0,0,0,1|3,0,0]=4 119 B8R1.2 COc1ccccc1 CUR-0026843 [0,0,0,0,0,1|3,0,0]=4 120 B8R1.2 COc1ccncc1 CUR-0101402 [0,0,0,0,0,1|3,0,0]=4 121 B8R1.2 CSc1ccccc1 CUR-0101870 [0,0,0,0,0,1|3,0,0]=4 122 B8R1.2 c1c(cncn1)C=O CUR-0026977 [0,0,0,0,0,1|2,0,0]=3 123 B8R1.2 c1cc(cnc1)C#N CUR-0019652 [0,0,0,0,0,1|2,0,1]=4 124 B8R1.2 c1cc(cnc1)C=O CUR-0007220 [0,0,0,0,0,1|1,0,0]=2 125 B8R1.2 c1cc(cnc1)CCl CUR-0002750 [0,0,0,0,0,1|2,0,1]=4 126 B8R1.2 c1cc(cnc1)CN CUR-0027066 [0,0,0,0,0,1|2,0,1]=4 127 B8R1.2 c1cc(cnc1)CO CUR-0101674 [0,0,0,0,0,1|1,0,2]=4 128 B8R1.2 c1ccc(cc1)C#N CUR-0014272 [0,0,0,0,0,1|2,0,1]=4 129 B8R1.2 c1ccc(cc1)C=O CUR-0027632 [0,0,0,0,0,1|1,0,0]=2 130 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [0,0,0,0,0,1|2,0,1]=4 132 B8R1.2 c1ccc(cc1)CN CUR-0009810 [0,0,0,0,0,1|2,0,1]=4 133 B8R1.2 c1ccc(cc1)CN CUR-0101294 [0,0,0,0,0,1|2,0,1]=4 134 B8R1.2 c1ccc(cc1)CO CUR-0002024 [0,0,0,0,0,1|1,0,2]=4 135 B8R1.2 c1ccc(cc1)CS CUR-0005953 [0,0,0,0,0,1|1,1,1]=4 136 B8R1.2 c1ccc(cc1)NN CUR-0008900 [0,0,0,0,0,1|3,0,0]=4 137 B8R1.2 c1ccc(cc1)NN CUR-0101278 [0,0,0,0,0,1|3,0,0]=4 138 B8R1.2 c1ccnc(c1)C#N CUR-0017142 [0,0,0,0,0,1|2,0,1]=4 139 B8R1.2 c1ccnc(c1)C=O CUR-0011586 [0,0,0,0,0,1|1,0,0]=2 140 B8R1.2 c1ccnc(c1)CCl CUR-0006464 [0,0,0,0,0,1|2,0,1]=4 141 B8R1.2 c1ccnc(c1)CN CUR-0101659 [0,0,0,0,0,1|2,0,1]=4 142 B8R1.2 c1ccnc(c1)CO CUR-0101669 [0,0,0,0,0,1|1,0,2]=4 143 B8R1.2 c1ccnc(c1)NN CUR-0101675 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.2 c1cnc(cn1)C#N CUR-0014188 [0,0,0,0,0,1|2,0,1]=4 145 B8R1.2 c1cnc(nc1)C#N CUR-0004515 [0,0,0,0,0,1|2,0,1]=4 146 B8R1.2 c1cnccc1C#N CUR-0026031 [0,0,0,0,0,1|2,0,1]=4 147 B8R1.2 c1cnccc1C=O CUR-0023499 [0,0,0,0,0,1|1,0,0]=2 148 B8R1.2 c1cnccc1CCl CUR-0005638 [0,0,0,0,0,1|2,0,1]=4 149 B8R1.2 c1cnccc1CN CUR-0101658 [0,0,0,0,0,1|2,0,1]=4 150 B8R1.2 c1cnccc1CO CUR-0101670 [0,0,0,0,0,1|1,0,2]=4 151 B8R1.2 c1cnccc1NN CUR-0097304 [0,0,0,0,0,1|3,0,0]=4 152 B5R0.1 CC(=O)OC=C CUR-0001318 [1,0,1,0,0,0|0,0,1]=3 153 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,1,0,0,0|0,0,1]=3 154 B5R0.3 COC(=O)C=C CUR-0018588 [1,0,1,0,0,0|0,0,1]=3 155 B5R1.1 C1C=CCO1 CUR-0017724 [2,0,0,0,0,0|0,0,2]=4 156 B5R1.1 C1COC=C1 CUR-0023942 [2,0,0,0,0,0|0,0,2]=4 157 B5R1.1 c1c[nH]nc1 CUR-0027742 [2,0,0,0,0,0|2,0,0]=4 158 B5R1.1 c1cc[nH]c1 CUR-0101433 [2,0,0,0,0,0|1,0,0]=3 159 B5R1.1 c1ccoc1 CUR-0017577 [2,0,0,0,0,0|0,0,0]=2 160 B5R1.1 c1ccsc1 CUR-0023526 [2,0,0,0,0,0|0,1,0]=3 161 B5R1.1 c1cnc[nH]1 CUR-0006831 [2,0,0,0,0,0|2,0,0]=4 162 B5R1.1 c1cnoc1 CUR-0101437 [2,0,0,0,0,0|1,0,0]=3 163 B7R0.4 C=CCOCC(=O)O CUR-0014777 [0,1,1,0,0,0|0,0,2]=4 164 B7R0.4 C\C=C\C=C/C(=O)O CUR-0101700 [0,1,1,0,0,0|1,0,0]=3 165 B7R0.4 C\C=C\C=C\C(=O)O CUR-0100842 [0,1,1,0,0,0|1,0,0]=3 166 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [1,1,0,0,0,0|1,0,0]=3 167 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [1,1,0,0,0,0|0,0,0]=2 168 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,1,0,0,0,0|0,0,2]=4 169 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [1,1,0,0,0,0|0,0,2]=4 170 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [1,1,0,0,0,0|2,0,0]=4 171 B7R1.2 Cc1cc(no1)N CUR-0024529 [1,1,0,0,0,0|1,0,1]=4 172 B7R1.2 Cc1cc(on1)C CUR-0101566 [1,1,0,0,0,0|1,0,1]=4 173 B7R1.2 Cc1cc(on1)N CUR-0022581 [1,1,0,0,0,0|2,0,0]=4 174 B7R1.2 Cc1ccc(o1)C CUR-0101561 [1,1,0,0,0,0|0,0,1]=3 175 B7R1.2 Cc1ccc(s1)C CUR-0012643 [1,1,0,0,0,0|0,1,1]=4 176 B7R1.2 Cc1coc(n1)N CUR-0010957 [1,1,0,0,0,0|2,0,0]=4 177 B7R1.4 c1csc(c1Br)Br CUR-0018312 [1,1,0,0,0,0|1,1,0]=4 178 B9R1.1 Cc1ccc(cc1)C=C CUR-0101785 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.1 Cc1ccc(cc1)C=O CUR-0006736 [0,1,0,0,0,1|1,0,0]=3 180 B9R1.1 c1c(cnc(n1)N)C=O CUR-0100507 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.1 c1cc(ccc1C=O)Br CUR-0103167 [0,1,0,0,0,1|1,0,0]=3 182 B9R1.1 c1cc(ccc1C=O)Cl CUR-0017463 [0,1,0,0,0,1|1,0,0]=3 183 B9R1.1 c1cc(ccc1C=O)F CUR-0100769 [0,1,0,0,0,1|1,0,0]=3 184 B9R1.1 c1cc(ccc1C=O)I CUR-0046448 [0,1,0,0,0,1|1,0,0]=3 185 B9R1.1 c1cc(ccc1C=O)O CUR-0004120 [0,1,0,0,0,1|1,0,0]=3 186 B9R1.2 Cc1cccc(c1)C=O CUR-0023642 [0,1,0,0,0,1|1,0,0]=3 187 B9R1.2 Cc1cccc(n1)C=O CUR-0101809 [0,1,0,0,0,1|1,0,0]=3 188 B9R1.2 c1cc(cc(c1)Br)C=O CUR-0001107 [0,1,0,0,0,1|1,0,0]=3 189 B9R1.2 c1cc(cc(c1)Cl)C=O CUR-0022345 [0,1,0,0,0,1|1,0,0]=3 190 B9R1.2 c1cc(cc(c1)F)C=O CUR-0022907 [0,1,0,0,0,1|1,0,0]=3 191 B9R1.2 c1cc(cc(c1)O)C=O CUR-0101822 [0,1,0,0,0,1|1,0,0]=3 192 B9R1.6 C1COC(=CO1)C(=O)Cl CUR-0098816 [0,1,0,0,0,1|0,0,2]=4 193 B9R1.6 C1COC(=CO1)C(=O)O CUR-0087903 [0,1,0,0,0,1|0,0,2]=4 194 B9R1.6 CC(=C)c1ccccc1 CUR-0101783 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.6 CC(=O)c1ccccc1 CUR-0002350 [0,1,0,0,0,1|1,0,0]=3 196 B9R1.6 CC(=O)c1ccccn1 CUR-0017575 [0,1,0,0,0,1|1,0,0]=3 197 B9R1.6 CC(=O)c1cccnc1 CUR-0009551 [0,1,0,0,0,1|1,0,0]=3 198 B9R1.6 CC(=O)c1ccncc1 CUR-0002628 [0,1,0,0,0,1|1,0,0]=3 199 B9R1.6 CC(=O)c1cnccn1 CUR-0011618 [0,1,0,0,0,1|1,0,0]=3 200 B9R1.6 c1cc(cnc1)C(=N)N CUR-0100817 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.6 c1cc(cnc1)C(=O)N CUR-0101823 [0,1,0,0,0,1|1,0,0]=3 202 B9R1.6 c1cc(cnc1)C(=O)O CUR-0021553 [0,1,0,0,0,1|1,0,0]=3 203 B9R1.6 c1cc(cnc1)C(=O)[O-] CUR-0101405 [0,1,0,0,0,1|1,0,0]=3 204 B9R1.6 c1cc(cnc1)C(=S)N CUR-0102115 [0,1,0,0,0,1|1,1,0]=4 205 B9R1.6 c1ccc(cc1)C(=N)N CUR-0101311 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.6 c1ccc(cc1)C(=N)N CUR-0101314 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.6 c1ccc(cc1)C(=O)Cl CUR-0014056 [0,1,0,0,0,1|1,0,0]=3 208 B9R1.6 c1ccc(cc1)C(=O)N CUR-0000442 [0,1,0,0,0,1|1,0,0]=3 209 B9R1.6 c1ccc(cc1)C(=O)O CUR-0005654 [0,1,0,0,0,1|1,0,0]=3 210 B9R1.6 c1ccc(cc1)C(=S)N CUR-0011425 [0,1,0,0,0,1|1,1,0]=4 211 B9R1.6 c1ccc(cc1)S(=O)[O-] CUR-0102710 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CUR-0003713 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.6 c1ccnc(c1)C(=N)N CUR-0029247 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.6 c1ccnc(c1)C(=O)Cl CUR-0019311 [0,1,0,0,0,1|1,0,0]=3 215 B9R1.6 c1ccnc(c1)C(=O)O CUR-0005772 [0,1,0,0,0,1|1,0,0]=3 216 B9R1.6 c1ccnc(c1)C(=O)O CUR-0102605 [0,1,0,0,0,1|1,0,0]=3 217 B9R1.6 c1cnc(cn1)C(=O)O CUR-0009963 [0,1,0,0,0,1|1,0,0]=3 218 B9R1.6 c1cnc(nc1)C(=N)N CUR-0100993 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.6 c1cnc(nc1)C(=N)N CUR-0101048 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.6 c1cnc(nc1)C(=O)O CUR-0101257 [0,1,0,0,0,1|1,0,0]=3 221 B9R1.6 c1cnc(nc1)C(=O)[O-] CUR-0099125 [0,1,0,0,0,1|1,0,0]=3 222 B9R1.6 c1cnccc1C(=N)N CUR-0100928 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.6 c1cnccc1C(=N)N CUR-0100931 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.6 c1cnccc1C(=O)Cl CUR-0025289 [0,1,0,0,0,1|1,0,0]=3 225 B9R1.6 c1cnccc1C(=O)Cl CUR-0103025 [0,1,0,0,0,1|1,0,0]=3 226 B9R1.6 c1cnccc1C(=O)N CUR-0074407 [0,1,0,0,0,1|1,0,0]=3 227 B9R1.6 c1cnccc1C(=O)O CUR-0000044 [0,1,0,0,0,1|1,0,0]=3 228 B9R1.6 c1cncnc1C(=O)O CUR-0101857 [0,1,0,0,0,1|1,0,0]=3 229 B9R1.6 c1cnncc1C(=O)O CUR-0026801 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.8 c1ccc(cc1)CC=O CUR-0101800 [0,1,0,0,0,1|1,0,0]=3 231 B9R1.8 c1ccc(cc1)N=C=O CUR-0101790 [0,1,0,0,0,1|1,0,1]=4 232 B9R1.8 c1ccnc(c1)\C=N\O CUR-0101824 [0,1,0,0,0,1|1,0,1]=4 233 B9R1.15 Cc1ccccc1C=O CUR-0101798 [0,1,0,0,0,1|1,0,0]=3 234 B9R1.15 c1cc(c(nc1)C=O)O CUR-0096832 [0,1,0,0,0,1|1,0,0]=3 235 B9R1.15 c1ccc(c(c1)C=O)Br CUR-0103166 [0,1,0,0,0,1|1,0,0]=3 236 B9R1.15 c1ccc(c(c1)C=O)Cl CUR-0001218 [0,1,0,0,0,1|1,0,0]=3 237 B9R1.15 c1ccc(c(c1)C=O)F CUR-0009497 [0,1,0,0,0,1|1,0,0]=3 238 B9R1.15 c1ccc(c(c1)C=O)O CUR-0022364 [0,1,0,0,0,1|1,0,0]=3 239 B9R1.7 Cc1ccc(o1)CNC CUR-0101277 [0,2,0,0,0,0|1,0,1]=4 240 B9R1.21 c1cc(oc1CN)CO CUR-0013378 [0,2,0,0,0,0|0,0,2]=4 241 B9R1.21 c1cc(oc1CO)C=O CUR-0101881 [0,2,0,0,0,0|0,0,0]=2 242 B9R1.22 C(=O)c1c(nc(s1)Cl)Cl CUR-0012054 [0,2,0,0,0,0|1,1,0]=4 243 B9R1.22 Cc1cc(c([nH]1)C)C=O CUR-0097375 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.35 CC(=O)c1ccc(s1)Br CUR-0103517 [0,2,0,0,0,0|0,1,0]=3 245 B9R1.35 CC(=O)c1ccc(s1)Cl CUR-0102625 [0,2,0,0,0,0|0,1,0]=3 246 B9R1.35 Cc1[nH]cc(n1)C(=O)O CUR-0024930 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.35 Cc1cc(n[nH]1)C(=O)O CUR-0101256 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.35 Cc1cc(no1)C(=O)O CUR-0016233 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.35 Cc1cc(on1)C(=O)Cl CUR-0037866 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.35 Cc1cc(on1)C(=O)O CUR-0004080 [0,2,0,0,0,0|1,0,0]=3 251 B9R1.35 Cc1cc(sc1)C(=O)O CUR-0102193 [0,2,0,0,0,0|0,1,0]=3 252 B9R1.35 Cc1ccc(o1)C(=O)C CUR-0101867 [0,2,0,0,0,0|0,0,0]=2 253 B9R1.35 Cc1ccc(s1)C(=O)O CUR-0102192 [0,2,0,0,0,0|0,1,0]=3 254 B9R1.35 Cc1nc(cs1)C(=O)O CUR-0001372 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.35 Cc1ncc(s1)C(=O)O CUR-0015967 [0,2,0,0,0,0|1,1,0]=4 256 B9R1.35 Cc1nnc(o1)C(=O)[O-] CUR-0098575 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.35 Cn1ccc(n1)C(=O)Cl CUR-0098254 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.35 c1c([nH][nH]c1=O)C(=O)O CUR-0099000 [0,2,0,0,0,0|2,0,0]=4 259 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O CUR-0027703 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.35 c1c(csc1C(=O)O)Br CUR-0103552 [0,2,0,0,0,0|0,1,0]=3 261 B9R1.35 c1c(csc1C(=O)O)O CUR-0019310 [0,2,0,0,0,0|0,1,0]=3 262 B9R1.35 c1c(nc(o1)N)C(=O)O CUR-0006701 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.35 c1c(nc(s1)N)C(=O)N CUR-0098734 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.35 c1cc(oc1C(=O)O)Br CUR-0011302 [0,2,0,0,0,0|0,0,0]=2 265 B9R1.35 c1cc(sc1C(=O)Cl)Br CUR-0096600 [0,2,0,0,0,0|0,1,0]=3 266 B9R1.35 c1cc(sc1C(=O)Cl)Cl CUR-0040008 [0,2,0,0,0,0|0,1,0]=3 267 B9R1.35 c1cc(sc1C(=O)O)Cl CUR-0102670 [0,2,0,0,0,0|0,1,0]=3 268 B9R1.11 COC(=O)c1c[nH]cn1 CUR-0008809 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.11 c1cc(oc1)C(=O)CCl CUR-0055851 [0,2,0,0,0,0|0,0,0]=2 270 B9R1.11 c1cc(oc1)C(=O)NN CUR-0101020 [0,2,0,0,0,0|0,0,0]=2 271 B9R1.11 c1cc(sc1)C(=O)NN CUR-0101092 [0,2,0,0,0,0|0,1,0]=3 272 B9R1.11 c1cc(sc1)\C(=N\O)\N CUR-0099565 [0,2,0,0,0,0|0,1,1]=4 273 B9R1.19 c1cc(sc1)S(=O)(=O)Cl CUR-0015500 [0,2,0,0,0,0|1,1,0]=4 274 B9R1.41 Cc1c([nH]cn1)C(=O)O CUR-0121727 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.41 Cc1c(ccs1)C(=O)N CUR-0099932 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.41 Cc1c(nco1)C(=O)O CUR-0013719 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.41 Cc1c(scn1)C(=O)O CUR-0020343 [0,2,0,0,0,0|1,1,0]=4 278 B9R1.41 Cc1cc[nH]c1C(=O)O CUR-0091141 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.41 Cc1ccoc1C(=O)O CUR-0004502 [0,2,0,0,0,0|0,0,0]=2 280 B9R1.41 Cc1cscc1C(=O)O CUR-0027759 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.41 Cn1c(ccn1)C(=O)Cl CUR-0098255 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.41 Cn1cccc1C(=O)O CUR-0004269 [0,2,0,0,0,0|1,0,0]=3 283 B9R1.41 c1[nH]c(c(n1)C(=O)N)N CUR-0101886 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.41 c1csc(c1Br)[N+](=O)[O-] CUR-0094296 [0,2,0,0,0,0|1,1,0]=4 285 B9R1.41 c1csc(c1C(=O)N)N CUR-0095472 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.41 c1csc(c1F)C(=O)O CUR-0014406 [0,2,0,0,0,0|0,1,0]=3 287 B9R1.12 c1cc(sc1)CN=C=O CUR-0043228 [0,2,0,0,0,0|0,1,1]=4 288 B9R1.12 c1cnn(c1)CCC=O CUR-0122556 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.13 CC(=O)Cc1ccco1 CUR-0101861 [0,2,0,0,0,0|0,0,0]=2 290 B9R1.13 CC(=O)Nc1cccs1 CUR-0098267 [0,2,0,0,0,0|0,1,0]=3 291 B9R1.13 c1cc(sc1)CC(=O)Cl CUR-0031290 [0,2,0,0,0,0|0,1,0]=3 292 B9R1.13 c1cc(sc1)CC(=O)O CUR-0013133 [0,2,0,0,0,0|0,1,0]=3 293 B9R1.13 c1ccn(c1)CC(=O)O CUR-0001669 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.13 c1cnn(c1)CC(=O)O CUR-0021146 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.13 c1cnn(c1)CC(=O)O CUR-0101292 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.13 c1cscc1CC(=O)O CUR-0102191 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.33 Cn1cccc1\C=N\O CUR-0099431 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.14 CCn1cccc1C=O CUR-0032264 [0,2,0,0,0,0|1,0,0]=3 299 B7R1.3 Cc1cccnc1 CUR-0100815 [0,0,1,1,0,0|2,0,0]=4 300 B7R1.3 c1cc(cnc1)Br CUR-0009235 [0,0,1,1,0,0|2,0,0]=4 301 B7R1.3 c1cc(cnc1)F CUR-0101564 [0,0,1,1,0,0|2,0,0]=4 302 B7R1.3 c1cc(cnc1)N CUR-0019682 [0,0,1,1,0,0|2,0,0]=4 303 B7R1.3 c1cc(cnc1)O CUR-0101555 [0,0,1,1,0,0|1,0,0]=3 304 B7R1.3 c1ccc(cc1)Br CUR-0101195 [0,0,1,1,0,0|2,0,0]=4 305 B7R1.3 c1ccc(cc1)Cl CUR-0027821 [0,0,1,1,0,0|2,0,0]=4 306 B7R1.3 c1ccc(cc1)F CUR-0101403 [0,0,1,1,0,0|2,0,0]=4 307 B7R1.3 c1ccc(cc1)I CUR-0025654 [0,0,1,1,0,0|2,0,0]=4 308 B7R1.3 c1ccc(cc1)N CUR-0004820 [0,0,1,1,0,0|2,0,0]=4 309 B7R1.3 c1ccc(cc1)N CUR-0101212 [0,0,1,1,0,0|2,0,0]=4 310 B7R1.3 c1ccc(cc1)O CUR-0014170 [0,0,1,1,0,0|1,0,0]=3 311 B7R1.3 c1ccc(cc1)S CUR-0028213 [0,0,1,1,0,0|1,1,0]=4