0 B7R1.3 C1C=C(C=CO1)N DA-26180 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 C1C=CC(=O)CO1 DA-39998 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 C1C=CC(CO1)O DA-42425 [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 c1cnc[nH]c1=O DA-42222 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 c1cncnc1Br DA-23128 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 c1cncnc1S DA-44516 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.3 c1cnncc1I DA-39287 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 CNc1ccnnc1 DA-43581 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.2 c1cnncc1CCl DA-22266 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.3 c1c(ncc(n1)Br)F DA-26790 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.3 c1cc(ccc1O)O DA-33570 [0,1,0,0,0,0|0,0,0]=1 11 B8R1.4 Cc1cc(cnn1)Cl DA-41313 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.4 Cc1nccc(n1)I DA-39308 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.4 c1c(cnnc1Cl)O DA-36275 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.4 c1cc(cc(c1)I)I DA-30260 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.5 c1c(c(=O)[nH]cn1)N DA-37981 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.5 c1c[nH]cc(c1=O)N DA-24303 [0,1,0,0,0,0|1,0,1]=3 17 B8R1.5 c1cnnc(c1Cl)N DA-23113 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.5 c1cocc(c1=O)O DA-23558 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 C1=C[CH]C(=C1)Br DA-30508 [0,0,0,0,1,0|1,0,1]=3 20 B6R1.2 Cc1ccc[nH]1 DA-25958 [0,0,0,0,1,0|2,0,0]=3 21 B6R1.2 c1c(cn[nH]1)O DA-39326 [0,0,0,0,1,0|2,0,0]=3 22 B6R1.2 c1c(ncs1)I DA-39286 [0,0,0,0,1,0|3,0,0]=4 23 B6R1.2 c1c(ncs1)O DA-38955 [0,0,0,0,1,0|2,0,0]=3 24 B6R1.2 c1c(scn1)I DA-37263 [0,0,0,0,1,0|3,0,0]=4 25 B6R1.2 c1c(scn1)O DA-36993 [0,0,0,0,1,0|2,0,0]=3 26 B6R1.2 c1c[nH]cc1Cl DA-23867 [0,0,0,0,1,0|2,0,0]=3 27 B6R1.2 c1cc(oc1)I DA-26085 [0,0,0,0,1,0|2,0,0]=3 28 B6R1.2 c1csnc1Cl DA-23724 [0,0,0,0,1,0|3,0,0]=4 29 B6R1.2 c1csnc1N DA-23477 [0,0,0,0,1,0|3,0,0]=4 30 B5R0.2 C=CC=CCBr DA-37930 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.7 C=CCC(=O)CC=C DA-30148 [0,1,1,0,0,0|0,0,2]=4 32 B7R1.1 COn1ccnc1 DA-29266 [0,1,0,0,1,0|2,0,0]=4 33 B7R1.1 c1cc([nH]c1)CN DA-29370 [0,1,0,0,1,0|2,0,0]=4 34 B7R1.1 c1cnsc1CO DA-33462 [0,1,0,0,1,0|2,0,0]=4 35 B7R1.1 c1csc(n1)CO DA-25631 [0,1,0,0,1,0|2,0,0]=4 36 B7R1.1 c1cscc1CCl DA-42947 [0,1,0,0,1,0|2,0,0]=4 37 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,1,0,0,1,0|0,0,2]=4 38 B7R1.2 Cc1cc(cs1)N DA-37078 [0,1,0,0,1,0|2,0,0]=4 39 B7R1.2 Cc1cc(sc1)I DA-26092 [0,1,0,0,1,0|2,0,0]=4 40 B7R1.2 Cc1ccc(s1)O DA-37079 [0,1,0,0,1,0|1,0,0]=3 41 B7R1.2 Cn1ccc(c1)N DA-29233 [0,1,0,0,1,0|2,0,0]=4 42 B7R1.2 c1c([nH]c(=S)s1)O DA-39362 [0,1,0,0,1,0|2,0,0]=4 43 B7R1.2 c1c(csc1Br)Cl DA-26854 [0,1,0,0,1,0|2,0,0]=4 44 B7R1.4 Cc1ccsc1I DA-26100 [0,1,0,0,1,0|2,0,0]=4 45 B7R1.4 c1c(c(cs1)Br)N DA-23131 [0,1,0,0,1,0|2,0,0]=4 46 B7R1.4 c1c[nH]c(c1Br)Br DA-27452 [0,1,0,0,1,0|2,0,0]=4 47 B7R1.4 c1csc(c1N)Br DA-28938 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.1 CSc1ccc(cn1)N DA-36737 [0,2,0,0,0,0|1,1,0]=4 49 B9R1.1 c1cc(ccc1CCl)O DA-22267 [0,2,0,0,0,0|0,0,0]=2 50 B9R1.1 c1cc(ncc1F)CN DA-37359 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.1 c1cc(ncc1NN)Br DA-26787 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.2 CCc1cc(ccn1)C DA-26238 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.2 CCc1cc(cnc1)N DA-37387 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.2 CNc1cccc(n1)Br DA-36388 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.2 CNc1ccnc(c1)Br DA-26723 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.2 COc1nccc(n1)Br DA-40108 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.2 Cc1cc(ccn1)NC DA-41965 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.2 Cc1cc(ccn1)NN DA-39373 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.2 Cc1cc(cnc1)NN DA-23579 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.2 c1c(cncc1Cl)CBr DA-24964 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.2 c1c(cncc1Cl)CCl DA-23779 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.2 c1c(ncnc1N)CO DA-31854 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.2 c1c[nH]c(=O)cc1CBr DA-22293 [0,2,0,0,0,0|1,0,1]=4 64 B9R1.2 c1cc([nH]c(=O)c1)CO DA-36752 [0,2,0,0,0,0|1,0,0]=3 65 B9R1.2 c1cc(cc(c1)Cl)CI DA-29565 [0,2,0,0,0,0|1,0,0]=3 66 B9R1.2 c1cc(nc(c1)F)CBr DA-36778 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.2 c1cc(nc(c1)N)CN DA-36612 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.2 c1cnc(cc1Br)CN DA-31952 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.2 c1cnc(cc1Cl)CBr DA-27806 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.2 c1cnc(cc1Cl)CCl DA-39718 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.2 c1cnc(nc1O)CN DA-28953 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.6 B(c1cccnn1)(O)O DA-35187 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.8 c1c(cncn1)CCO DA-40983 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.8 c1ccc(cc1)CNN DA-35038 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.15 CCc1c(cccn1)Br DA-24056 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.15 CSc1ccccc1[Zn+] DA-35007 [0,2,0,0,0,0|0,1,0]=3 77 B9R1.15 Cc1c(cccn1)NN DA-23582 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.15 Cc1ccccc1CI DA-30617 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.15 c1cc(c(=O)[nH]c1)CO DA-42463 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.15 c1ccc(c(c1)CI)Cl DA-29576 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.15 c1cncc(c1CBr)Cl DA-22299 [0,2,0,0,0,0|2,0,0]=4 82 B9R1.15 c1cncc(c1CCl)Cl DA-23825 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.15 c1cncc(c1O)NN DA-23580 [0,2,0,0,0,0|1,0,0]=3 84 B9R1.69 Cc1c(cc(cn1)N)F DA-37353 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.69 Cc1c(cnc(n1)Cl)O DA-26556 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.69 Cc1cc(c(cn1)C)Br DA-39962 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.69 Cc1cc(c(cn1)O)Br DA-46642 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.69 Cc1cc(c(nc1)I)O DA-26090 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.69 Cc1cc(cnc1N)O DA-36577 [0,2,0,0,0,0|1,0,0]=3 90 B9R1.69 Cc1cc(ncc1C)I DA-26095 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.69 Cc1cc(ncc1I)O DA-37268 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.69 Cc1cc(ncc1O)Br DA-36427 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.69 Cc1ccc(c(n1)Br)Cl DA-26903 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.69 Cc1ccc(nc1Br)C DA-42573 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.69 Cc1ccc(nc1Br)N DA-36414 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.69 Cc1cnc(cc1Br)N DA-39846 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.69 Cn1ccc(cc1=O)N DA-21491 [0,2,0,0,0,0|1,0,1]=4 98 B9R1.69 Cn1ccc(cc1=O)O DA-23105 [0,2,0,0,0,0|1,0,0]=3 99 B9R1.69 c1c(c(c[nH]c1=O)Br)Cl DA-37753 [0,2,0,0,0,0|1,0,1]=4 100 B9R1.69 c1c(c(cnc1Br)I)N DA-21310 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.69 c1c(c(cnc1Cl)F)O DA-26470 [0,2,0,0,0,0|1,0,0]=3 102 B9R1.69 c1c(c(nc(n1)Br)N)O DA-21296 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.69 c1c(c(nc(n1)Cl)N)O DA-21464 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.69 c1c(nc(c(n1)O)N)Cl DA-46279 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.69 c1cc([nH]c(=O)c1O)Br DA-36449 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.69 c1cc(c(cc1Br)I)Cl DA-21428 [0,2,0,0,0,0|1,0,0]=3 107 B9R1.69 c1cc(c(cc1Cl)Br)Br DA-30506 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.69 c1cc(c(cc1I)Br)O DA-26839 [0,2,0,0,0,0|0,0,0]=2 109 B9R1.69 c1cc(c(cc1N)O)Br DA-38045 [0,2,0,0,0,0|0,0,0]=2 110 B9R1.69 c1cc(nc(c1F)Br)N DA-36973 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.3 Cc1c(c(ccn1)Br)Cl DA-23143 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.3 Cc1c(c(ccn1)Br)F DA-23142 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.3 Cc1cccc(c1C)Cl DA-31717 [0,2,0,0,0,0|1,0,0]=3 114 B9R1.3 c1c(c(c(cn1)Br)I)Cl DA-23976 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.3 c1c(c(c(cn1)I)N)Cl DA-23768 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.3 c1c(c(c(cn1)O)N)N DA-21998 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.3 c1cc(c(c(c1)Br)Cl)N DA-42085 [0,2,0,0,0,0|1,0,0]=3 118 B9R1.3 c1cc(c(c(c1)I)Br)F DA-41197 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.3 c1cc(c(c(c1)I)Br)O DA-28948 [0,2,0,0,0,0|0,0,0]=2 120 B9R1.3 c1cc(c(c(c1)I)O)O DA-23534 [0,2,0,0,0,0|0,0,0]=2 121 B9R1.3 c1cc(c(c(c1)O)O)N DA-24343 [0,2,0,0,0,0|0,0,0]=2 122 B9R1.3 c1cc(c(c(c1)O)O)O DA-40956 [0,2,0,0,0,0|0,0,0]=2 123 B9R1.3 c1cnc(c(c1Cl)I)Br DA-26857 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.3 c1cnc(c(c1N)I)Br DA-21309 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.34 c1c(cc(cc1Br)I)O DA-25564 [0,2,0,0,0,0|0,0,0]=2 126 B9R1.34 c1c(cc(cc1Cl)Br)N DA-23973 [0,2,0,0,0,0|1,0,0]=3 127 B9R1.34 c1c(cc(cc1I)I)O DA-24614 [0,2,0,0,0,0|0,0,0]=2 128 B9R1.34 c1c(cc(cc1O)Cl)N DA-24227 [0,2,0,0,0,0|0,0,0]=2 129 B9R1.34 c1c(cc(nc1N)Cl)Br DA-23135 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.34 c1c(nc(nc1Cl)O)O DA-36334 [0,2,0,0,0,0|2,0,0]=4