0 B12R1.308 CCOC(=O)c1c(cccn1)N BC681195 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.308 CCOC(=O)c1cnccc1O BC224109 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.308 CCOC(=O)c1cncnc1Cl BC671521 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.308 CCOC(=O)c1cncnc1O BC205004 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.16 CCOC(=O)c1cccnc1 BC226788 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)c1ccncn1 BC201450 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 CCOC(=O)c1ccnnc1 BC201464 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 COCC(=O)c1ccccc1 BC644213 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.16 c1ccc(cc1)C(=O)CCBr BC675527 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 c1ccc(cc1)C(=O)N=C=S BC685804 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.222 COC(=O)c1c(cccn1)Br BC273693 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.222 COC(=O)c1c(cccn1)O BC224094 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.222 COC(=O)c1c(nccn1)N BC210667 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.222 COC(=O)c1cccnc1F BC219216 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.222 COC(=O)c1cnccc1O BC224041 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.222 COC(=O)c1cncnc1O BC223812 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.222 Cc1c(cccn1)C(=O)OC BC225552 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.222 c1ccc(c(c1)C(=O)CN)Br BC201182 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl BC201181 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.222 c1ccc(c(c1)C(=O)CN)F BC201180 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl BC225151 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.201 CC(C)OC(=O)c1ccccc1N BC620184 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.446 CCOC(=O)c1cc(cnc1Cl)F BC219206 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.464 CCOC(=O)c1c(cccn1)C#N BC208230 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.674 CCCCC(=O)c1ccccc1C BC217139 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl BC681911 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.4453 CCOC(=O)c1c(ccnc1C)C BC205645 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.4453 CCOC(=O)c1c(ncnc1C)C BC678364 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.18 c1ccc(c(c1)C2OCCO2)Br BC214392 [0,0,0,1,0,0|1,0,2]=4 29 B13R2.45 CCC1Cc2ccccc2C1=O BC676450 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.4818 c1cc2c(c(c1)Br)C(=O)CCC2 BC212649 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 BC215484 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.199 CCOC(=O)c1c(cc[nH]1)N BC684854 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.199 CCOC(=O)c1c(ncs1)Br BC655911 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.199 CCOC(=O)c1c(ncs1)C BC216442 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.199 CCOC(=O)c1ccnn1C BC649927 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.199 CCOC(=O)c1ccsc1N BC220681 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.199 CCOC(=O)c1cnoc1C BC219422 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.15 COC(=O)c1ccncc1 BC205546 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 COC(=O)c1cnccn1 BC205804 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.15 COC(=O)c1ncccn1 BC228090 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.15 c1cnccc1C(=O)CBr BC677150 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.4 CCOc1cccnc1Br BC228753 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.4 CCOc1cccnc1N BC228705 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.61 CC(=O)c1ccccc1Br BC213650 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.61 CC(=O)c1ccccc1F BC227587 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.61 CC(=O)c1cccnc1Cl BC204454 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.61 CC(=O)c1cccnc1N BC200176 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.61 Cc1ccccc1C(=O)O BC675262 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.61 Cc1cccnc1C(=O)O BC207538 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.61 Cc1cnccc1C(=O)O BC222643 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.61 c1cc(c(nc1)Cl)C(=O)O BC227088 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.61 c1cc(c(nc1)F)C(=O)O BC214598 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [2,0,0,0,0,0|0,0,0]=2 68 B10R1.61 c1cnc(c(n1)C(=O)O)O BC205347 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.61 c1cncc(c1Br)C(=O)O BC226654 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.61 c1cncc(c1C(=O)O)N BC208031 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.61 c1cncc(c1F)C(=O)O BC677128 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.61 c1cncc(c1N)C(=O)O BC208030 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.61 c1cncc(c1O)C(=O)O BC222453 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.16 CCOC(=O)c1ccc(cc1)Br BC202043 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.16 CCOC(=O)c1ccc(cc1)I BC206124 [1,1,0,0,0,0|0,0,0]=2 76 B12R1.16 CCOC(=O)c1ccc(cc1)N BC203342 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.16 CCOC(=O)c1ccc(nc1)N BC205872 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.16 CCOC(=O)c1ccc(nc1)O BC228001 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.16 CCOC(=O)c1cnc(nc1)Cl BC280175 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.16 c1cc(ccc1C(=O)CCCl)F BC200670 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.17 CCOC(=O)c1cc(=O)[nH]cn1 BC676022 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.17 CCOC(=O)c1ccnc(c1)N BC651040 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.17 CNCC(=O)c1cccc(c1)O BC679056 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.34 CN(C(=O)c1ccccc1)OC BC210651 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.69 CCCCc1ccc(cc1O)O BC219862 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.24 COC(=O)c1cccc(c1O)F BC676186 [1,1,0,0,0,0|0,0,0]=2 87 B12R1.24 Cc1c(cccc1Br)C(=O)OC BC217097 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.24 Cc1c(cccc1N)C(=O)OC BC203495 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.24 Cc1cccc(c1Br)C(=O)OC BC225093 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.77 COC(=O)c1ccccc1CBr BC204417 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.77 COc1ccccc1C(=O)CBr BC652176 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.354 COC(=O)c1cc(ccc1I)Br BC689468 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.354 COC(=O)c1cc(ccc1O)I BC688582 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.354 COC(=O)c1cc(ccc1O)N BC222665 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.354 COC(=O)c1cc(cnc1Cl)Br BC679663 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.354 COC(=O)c1cc(cnc1N)Cl BC216973 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.354 COC(=O)c1cc(cnc1N)I BC256321 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.354 COC(=O)c1cc(ncc1Br)Cl BC645915 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.354 Cc1ccc(cc1C(=O)OC)Br BC225096 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.354 Cc1ccc(cc1C(=O)OC)N BC202432 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.354 Cc1ccc(cc1C(=O)OC)O BC245021 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.354 Cc1ccc(nc1C(=O)OC)Cl BC273783 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F BC207308 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.1703 COC(=O)c1ccc(cc1N)Br BC676481 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.1703 COC(=O)c1ccc(cc1O)O BC649964 [1,1,0,0,0,0|0,0,0]=2 106 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl BC677895 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.1703 Cc1cc(ccc1C(=O)OC)N BC676769 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC BC204333 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC BC220828 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN BC201179 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr BC224376 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.1589 CCOC(=O)c1c(c[nH]c1C)C BC225421 [0,1,0,0,1,0|2,0,0]=4 113 B14R1.6823 CCOC(=O)Cc1ccc(cc1Cl)Cl BC201330 [0,1,0,0,0,1|1,0,0]=3 114 B14R1.918 c1cc(c(cc1O)C(=O)NCCO)O BC215927 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.7264 CCOC(=O)c1cn(c(=O)cc1Cl)C BC216758 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.32 CCOC(=O)Cc1ccccn1 BC225240 [0,0,1,1,0,0|1,0,1]=4 117 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 BC220805 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 c1cc2c(nc1)CCCC2=O BC228644 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 BC208640 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.1081 c1ccc2c(c1)CCNC2=O BC213850 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.1081 c1cncc2c1C(=O)CCC2 BC679513 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br BC220361 [1,0,0,1,0,0|1,0,0]=3 123 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl BC222347 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.32 CCc1cc2ccccc2[nH]1 BC671235 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.18 c1ccc2c(c1)CC(C2=O)Br BC218981 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.203 Cc1cccc2c1C(=O)CC2 BC688379 [1,0,0,1,0,0|1,0,0]=3 127 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 BC652362 [1,0,0,1,0,0|1,0,0]=3 128 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 BC677426 [1,0,0,1,0,0|1,0,0]=3 129 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 BC687634 [1,0,0,1,0,0|0,0,0]=2 130 B14R2.4621 c1ccc(c(c1)CC(=O)C2CC2)F BC678814 [0,0,0,1,0,1|2,0,0]=4 131 B14R2.8045 c1cc2c(c(c1)O)[nH]c(=O)oc2=O BC675608 [0,0,0,1,0,1|1,0,1]=4 132 B14R2.5637 c1cc2c(cc1Br)C(=O)CCCC2 BC682272 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.11 CCOC(=O)c1[nH]ccn1 BC220095 [1,0,0,0,1,0|2,0,0]=4 134 B10R1.11 CCOC(=O)c1c[nH]nc1 BC686554 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.11 CCOC(=O)c1ccc[nH]1 BC210795 [1,0,0,0,1,0|1,0,0]=3 136 B10R1.11 CCOC(=O)c1cccs1 BC213230 [1,0,0,0,1,0|1,0,0]=3