0 B16R3.3329 BrC1CCCc2c1sc3ccccc23 Amb27258888 [0,0,0,0,0,0|2,1,0]=3 1 B16R3.3329 CC1CCCC2c3ccccc3NC12 Amb27831091 [0,0,0,0,0,0|2,0,2]=4 2 B16R3.3329 CC1CCCc2c1nc3ccccn23 Amb27588208 [0,0,0,0,0,0|3,0,0]=3 3 B16R3.3329 CC1CCNc2c3ccccc3nn21 Amb27170466 [0,0,0,0,0,0|4,0,0]=4 4 B16R3.3329 CC1CNCc2c1oc3ccccc23 Amb10596183 [0,0,0,0,0,0|0,0,0]=0 5 B16R3.3329 CC1NCCc2c1nc3ccccn23 Amb18821402 [0,0,0,0,0,0|4,0,0]=4 6 B16R3.3329 CC1NCCn2c1cc3ccccc32 Amb18559566 [0,0,0,0,0,0|4,0,0]=4 7 B16R3.3329 CC1NCCn2c1nc3ccccc32 Amb28208214 [0,0,0,0,0,0|4,0,0]=4 8 B16R3.3329 CN1CCCn2c1nc3ccccc32 Amb4107391 [0,0,0,0,0,0|4,0,0]=4 9 B16R3.3329 C[C@@H]1NCCc2c1sc3ccccc23 Amb28074159 [0,0,0,0,0,0|2,1,0]=3 10 B16R3.3329 Cc1cccc2c1oc3ccccc32 Amb2447060 [0,0,0,0,0,0|1,0,3]=4 11 B16R3.3329 NC1CCCn2c1cc3ccccc32 Amb18821906 [0,0,0,0,0,0|4,0,0]=4 12 B16R3.3329 NC1CCCn2c1nc3ccccc32 Amb18821404 [0,0,0,0,0,0|4,0,0]=4 13 B16R3.3329 O=C1CCCc2c1sc3ccccc23 Amb20622624 [0,0,0,0,0,0|2,1,1]=4 14 B16R3.3329 OC1CCCC2c3ccccc3OC12 Amb27631938 [0,0,0,0,0,0|2,0,2]=4 15 B16R3.3329 O[C@H]1CCCn2c1nc3ccccc32 Amb27805328 [0,0,0,0,0,0|4,0,0]=4 16 B15R3.3 C1=CNC2OC3=C(CNCC3)C2=C1 Amb27974601 [1,0,0,0,0,0|1,0,1]=3 17 B15R3.3 C1=NCCc2c1oc3ccccc23 Amb27160727 [1,0,0,0,0,0|2,0,1]=4 18 B15R3.3 c1ccc2c(c1)CC3=C2CCCC3 Amb19887829 [1,0,0,0,0,0|2,0,0]=3 19 B15R3.3 c1ccc2c(c1)CC3=C2CNCC3 Amb25047437 [1,0,0,0,0,0|1,0,0]=2 20 B15R3.3 c1ccc2c(c1)CN3CCNCC23 Amb17194186 [1,0,0,0,0,0|2,0,1]=4 21 B15R3.3 c1ccc2c(c1)NC3CCNCC23 Amb18063123 [1,0,0,0,0,0|1,0,2]=4 22 B15R3.3 c1ccc2c(c1)N[C@@H]3CCNC[C@@H]23 Amb27490961 [1,0,0,0,0,0|1,0,2]=4 23 B15R3.3 c1ccc2c(c1)ON3CCCCC23 Amb27180426 [1,0,0,0,0,0|2,0,1]=4 24 B15R3.3 c1ccc2c(c1)cc3n2CCCC3 Amb22372259 [1,0,0,0,0,0|3,0,0]=4 25 B15R3.3 c1ccc2c(c1)nc3n2CCCC3 Amb24126348 [1,0,0,0,0,0|3,0,0]=4 26 B15R3.3 c1ccc2c(c1)nc3n2CNCC3 Amb25732072 [1,0,0,0,0,0|2,0,0]=3 27 B15R3.3 c1ccc2c3c(oc2c1)CCNC3 Amb27230203 [1,0,0,0,0,0|0,0,0]=1 28 B15R3.3 c1ccc2c3c(oc2c1)CNCC3 Amb10603350 [1,0,0,0,0,0|2,0,0]=3 29 B15R3.3 c1ccc2c3c(oc2c1)CNCC3 Amb22728044 [1,0,0,0,0,0|2,0,0]=3 30 B15R3.3 c1ccc2c3c(sc2c1)CNCC3 Amb18129824 [1,0,0,0,0,0|2,1,0]=4 31 B15R3.3 c1ccn2c3c(cc2c1)CCCC3 Amb28322805 [1,0,0,0,0,0|3,0,0]=4 32 B15R3.3 c1ccn2c3c(nc2c1)CCCC3 Amb16192256 [1,0,0,0,0,0|3,0,0]=4 33 B15R3.3 c1ccn2c3c(nc2c1)CCNC3 Amb17074432 [1,0,0,0,0,0|2,0,0]=3 34 B15R3.3 c1ccn2c3c(nc2c1)CCNC3 Amb35750780 [1,0,0,0,0,0|2,0,0]=3 35 B15R3.3 c1ccn2cc3c(c2c1)CNCC3 Amb5736011 [1,0,0,0,0,0|2,0,0]=3 36 B15R3.3 c1ccn2nc3c(c2c1)CNCC3 Amb26504976 [1,0,0,0,0,0|2,0,0]=3 37 B17R3.51174 CC1NCCc2c1n(C)c3ccccc23 Amb18810509 [0,1,0,0,0,0|3,0,0]=4 38 B17R3.56301 CC1CCC(Br)c2sc3ccccc3c21 Amb27954054 [0,1,0,0,0,0|2,1,0]=4 39 B15R2.5 BrCC\C=C\c1coc2ccccc12 Amb35704184 [0,0,1,0,0,0|2,0,1]=4 40 B15R2.5 C#CCNCc1csc2ccccc12 Amb18334428 [0,0,1,0,0,0|0,1,2]=4 41 B15R2.5 CCCCCn1ccc2ccccc21 Amb10559920 [0,0,1,0,0,0|3,0,0]=4 42 B15R2.5 CCCCCn1cnc2ccccc21 Amb1744548 [0,0,1,0,0,0|3,0,0]=4 43 B15R2.5 CCCNCc1csc2ccccc12 Amb19649472 [0,0,1,0,0,0|0,1,0]=2 44 B15R2.5 CNCC#Cc1coc2ccccc12 Amb30013999 [0,0,1,0,0,0|2,0,1]=4 45 B15R2.5 CNC\C=C\c1coc2ccccc12 Amb27418305 [0,0,1,0,0,0|2,0,1]=4 46 B15R2.5 ClCCC#Cc1coc2ccccc12 Amb35704096 [0,0,1,0,0,0|2,0,1]=4 47 B15R2.5 ClCC\C=C\c1coc2ccccc12 Amb35704183 [0,0,1,0,0,0|2,0,1]=4 48 B15R2.5 NCCC#Cc1coc2ccccc12 Amb30013998 [0,0,1,0,0,0|2,0,1]=4 49 B15R2.5 NCCCCc1csc2ccccc12 Amb33172230 [0,0,1,0,0,0|2,1,0]=4 50 B15R2.5 NCC\C=C\c1coc2ccccc12 Amb27418300 [0,0,1,0,0,0|2,0,1]=4 51 B15R2.5 OCCC#Cc1coc2ccccc12 Amb35704262 [0,0,1,0,0,0|2,0,1]=4 52 B15R2.5 OCCNCc1csc2ccccc12 Amb19027876 [0,0,1,0,0,0|1,1,0]=3 53 B15R2.32 CC1=C(c2ccccc2)CCCC1O Amb27835154 [0,0,1,0,0,0|3,0,0]=4 54 B15R2.32 CC1CNCC(c2ccccc2)N1C Amb27387796 [0,0,1,0,0,0|2,0,1]=4 55 B15R2.32 C[C@@H]1CNCC(c2ccccc2)N1C Amb18819060 [0,0,1,0,0,0|2,0,1]=4 56 B15R2.32 C[C@H]1CNCC(c2ccccc2)N1C Amb28247187 [0,0,1,0,0,0|2,0,1]=4 57 B15R2.32 O=C1CCCC(c2ccccc2)=C1O Amb8394182 [0,0,1,0,0,0|2,0,1]=4 58 B15R2.38 CC1CCCC=C1Nc2ccccc2 Amb27455012 [0,0,1,0,0,0|2,0,0]=3 59 B15R2.38 CC1CNCCC1Cc2ccccc2 Amb24677862 [0,0,1,0,0,0|1,0,2]=4 60 B15R2.38 CC1CNCCC1Nc2ccccc2 Amb25106784 [0,0,1,0,0,0|1,0,2]=4 61 B15R2.38 CC1CNCCC1Oc2ccccc2 Amb27856844 [0,0,1,0,0,0|0,0,2]=3 62 B15R2.38 CC1CNCCN1Cc2ccccc2 Amb32663633 [0,0,1,0,0,0|2,0,1]=4 63 B15R2.38 CC1CNCCN1Cc2ccccc2 Amb33531294 [0,0,1,0,0,0|2,0,1]=4 64 B15R2.38 CC1CNCC\C1=C/c2ccccc2 Amb26360462 [0,0,1,0,0,0|1,0,1]=3 65 B15R2.38 C[C@@H]1CNCCN1Cc2ccccc2 Amb8387894 [0,0,1,0,0,0|2,0,1]=4 66 B15R2.38 C[C@H]1CNCCN1Cc2ccccc2 Amb10071084 [0,0,1,0,0,0|2,0,1]=4 67 B15R2.38 C[C@H]1CNCC[C@H]1Nc2ccccc2 Amb25259185 [0,0,1,0,0,0|1,0,2]=4 68 B15R2.38 NC1CCCC=C1Cc2ccccc2 Amb18129721 [0,0,1,0,0,0|3,0,0]=4 69 B15R2.44 CCCc1c(CN)oc2ccccc12 Amb27183235 [0,0,1,0,0,0|2,0,0]=3 70 B15R2.44 CCCc1c(CN)sc2ccccc12 Amb27479963 [0,0,1,0,0,0|2,1,0]=4 71 B15R2.44 CCCn1c(CC)nc2ccccc21 Amb2470243 [0,0,1,0,0,0|3,0,0]=4 72 B15R2.44 CCc1nc2ccccc2n1COC Amb1098050 [0,0,1,0,0,0|3,0,0]=4 73 B15R2.44 CCc1oc2ccccc2c1CNC Amb2371307 [0,0,1,0,0,0|0,0,0]=1 74 B15R2.44 CCc1oc2ccccc2c1CNC Amb54130 [0,0,1,0,0,0|0,0,0]=1 75 B15R2.44 CCc1oc2ccccc2c1\C=N\O Amb445457 [0,0,1,0,0,0|1,0,2]=4 76 B15R2.44 CCc1sc2ccccc2c1CC#N Amb27463416 [0,0,1,0,0,0|2,1,0]=4 77 B15R2.44 CNCc1c(SC)nc2ccccn12 Amb28239396 [0,0,1,0,0,0|3,0,0]=4 78 B15R2.44 COCc1c(CO)sc2ccccc12 Amb27186870 [0,0,1,0,0,0|2,1,0]=4 79 B15R2.332 CC1CCCN(c2ccccc2O)C1 Amb2781951 [0,0,1,0,0,0|2,0,1]=4 80 B15R2.332 CC1CCOC(c2ccccc2O)=N1 Amb28363771 [0,0,1,0,0,0|3,0,0]=4 81 B15R2.332 CC1CNCC(c2ccccc2F)C1 Amb27656402 [0,0,1,0,0,0|1,0,2]=4 82 B15R2.332 Cc1ccccc1C2=CC(N)CNC2 Amb32989634 [0,0,1,0,0,0|2,0,0]=3 83 B15R2.332 Cc1ccccc1C2=CC(O)CNC2 Amb32989245 [0,0,1,0,0,0|2,0,0]=3 84 B15R2.332 Cc1ccncc1C2=CC(Cl)CNC2 Amb32988981 [0,0,1,0,0,0|3,0,0]=4 85 B15R2.332 Cc1ccncc1C2=CC(N)CNC2 Amb32989526 [0,0,1,0,0,0|3,0,0]=4 86 B15R2.332 Cc1ccncc1C2=CC(O)CNC2 Amb32989264 [0,0,1,0,0,0|3,0,0]=4 87 B15R2.332 Cc1ncccc1C2=CC(Cl)CNC2 Amb32989116 [0,0,1,0,0,0|3,0,0]=4 88 B15R2.332 Cc1ncccc1C2=CC(N)CNC2 Amb32989252 [0,0,1,0,0,0|3,0,0]=4 89 B15R2.332 Cc1ncccc1C2=CC(O)CNC2 Amb32989415 [0,0,1,0,0,0|3,0,0]=4 90 B15R2.332 Fc1cnccc1C2=CC(Cl)CNC2 Amb32989018 [0,0,1,0,0,0|3,0,0]=4 91 B15R2.332 NC1C=C(c2ccccc2Cl)CNC1 Amb32989637 [0,0,1,0,0,0|2,0,0]=3 92 B15R2.332 NC1C=C(c2ccccc2F)CNC1 Amb32989565 [0,0,1,0,0,0|2,0,0]=3 93 B15R2.332 NC1C=C(c2ccncc2F)CNC1 Amb32989527 [0,0,1,0,0,0|3,0,0]=4 94 B15R2.332 Nc1ccncc1C2=CC(Cl)CNC2 Amb32988983 [0,0,1,0,0,0|3,0,0]=4 95 B15R2.332 Nc1ccncc1C2=CC(N)CNC2 Amb32989552 [0,0,1,0,0,0|3,0,0]=4 96 B15R2.332 Nc1ccncc1C2=CC(O)CNC2 Amb32989126 [0,0,1,0,0,0|3,0,0]=4 97 B15R2.332 Nc1ncccc1C2=CC(Cl)CNC2 Amb32988982 [0,0,1,0,0,0|3,0,0]=4 98 B15R2.332 Nc1ncccc1C2=CC(N)CNC2 Amb32989434 [0,0,1,0,0,0|3,0,0]=4 99 B15R2.332 Nc1ncccc1C2=CC(O)CNC2 Amb32989138 [0,0,1,0,0,0|3,0,0]=4 100 B15R2.332 OC1C=C(c2ccccc2Cl)CNC1 Amb32988723 [0,0,1,0,0,0|2,0,0]=3 101 B15R2.332 OC1C=C(c2ccccc2F)CNC1 Amb32989144 [0,0,1,0,0,0|2,0,0]=3 102 B15R2.332 OC1C=C(c2ccncc2F)CNC1 Amb32989165 [0,0,1,0,0,0|3,0,0]=4 103 B15R2.1356 C#CCC(O)c1cc2ccccc2o1 Amb19045982 [0,0,1,0,0,0|2,0,1]=4 104 B15R2.1356 C=CCC(N)c1cc2ccccc2o1 Amb19002894 [0,0,1,0,0,0|2,0,1]=4 105 B15R2.1356 C=CCC(O)c1cc2ccccc2o1 Amb18319636 [0,0,1,0,0,0|2,0,1]=4 106 B15R2.1356 C=CC[C@H](N)c1cc2ccccc2o1 Amb27216700 [0,0,1,0,0,0|2,0,1]=4 107 B15R2.1356 CC#CC(O)c1cc2ccccc2o1 Amb28138892 [0,0,1,0,0,0|2,0,1]=4 108 B15R2.1356 CC(CCN)c1cc2ccccc2s1 Amb18782050 [0,0,1,0,0,0|2,1,0]=4 109 B15R2.1356 CC(CON)c1cc2ccccc2s1 Amb33312845 [0,0,1,0,0,0|2,1,0]=4 110 B15R2.1356 CC(NC=O)c1cc2ccccc2o1 Amb27417596 [0,0,1,0,0,0|3,0,0]=4 111 B15R2.1356 CCCC(=O)c1cc2ccccc2o1 Amb19046924 [0,0,1,0,0,0|2,0,1]=4 112 B15R2.1356 CCCC(Cl)c1cc2ccccc2o1 Amb28454402 [0,0,1,0,0,0|2,0,0]=3 113 B15R2.1356 CCCC(N)c1cc2ccccc2o1 Amb19002893 [0,0,1,0,0,0|2,0,0]=3 114 B15R2.1356 CCC[C@@H](N)c1cc2ccccc2o1 Amb27602845 [0,0,1,0,0,0|2,0,0]=3 115 B15R2.1356 CCC[C@@H](N)c1cc2ccccc2s1 Amb27845553 [0,0,1,0,0,0|2,1,0]=4 116 B15R2.1356 CCC[C@H](N)c1cc2ccccc2o1 Amb27749287 [0,0,1,0,0,0|2,0,0]=3 117 B15R2.1356 CCC[C@H](N)c1cc2ccccc2s1 Amb27597114 [0,0,1,0,0,0|2,1,0]=4 118 B15R2.1356 CCNC(C)c1cc2ccccc2o1 Amb6279094 [0,0,1,0,0,0|2,0,0]=3 119 B15R2.1356 CCNC(C)c1nc2ccccc2o1 Amb28256622 [0,0,1,0,0,0|3,0,0]=4 120 B15R2.1356 CCN[C@@H](C)c1cc2ccccc2o1 Amb27804631 [0,0,1,0,0,0|2,0,0]=3 121 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 Amb33314053 [0,0,1,0,0,0|1,1,1]=4 122 B15R2.1356 CNCC(C)c1nc2cccnc2s1 Amb28286342 [0,0,1,0,0,0|2,1,0]=4 123 B15R2.1356 CNCC(O)c1cc2ccccc2o1 Amb18818482 [0,0,1,0,0,0|1,0,0]=2 124 B15R2.1356 CNCC(O)c1cc2ccccc2s1 Amb33314056 [0,0,1,0,0,0|1,1,0]=3 125 B15R2.1356 CNCC(O)c1cn2ccccc2n1 Amb33149380 [0,0,1,0,0,0|3,0,0]=4 126 B15R2.1356 CNCC(O)c1nc2ccccc2s1 Amb26506294 [0,0,1,0,0,0|2,1,0]=4 127 B15R2.1356 CNC[C@H](O)c1cc2ccccc2o1 Amb27758331 [0,0,1,0,0,0|1,0,0]=2 128 B15R2.1356 COCC(=O)c1cc2ccccc2o1 Amb9665978 [0,0,1,0,0,0|2,0,1]=4 129 B15R2.1356 COCC(O)c1cc2ccccc2o1 Amb19078821 [0,0,1,0,0,0|2,0,0]=3 130 B15R2.1356 COCC(O)c1cc2ccccc2s1 Amb28063307 [0,0,1,0,0,0|2,1,0]=4 131 B15R2.1356 COC[C@@H](N)c1cc2ccccc2o1 Amb27433567 [0,0,1,0,0,0|2,0,0]=3 132 B15R2.1356 COC[C@@H](N)c1cc2ccccc2s1 Amb27402692 [0,0,1,0,0,0|2,1,0]=4 133 B15R2.1356 COC[C@H](N)c1cc2ccccc2o1 Amb28043082 [0,0,1,0,0,0|2,0,0]=3 134 B15R2.1356 CONC(C)c1cc2ccccc2o1 Amb27634712 [0,0,1,0,0,0|2,0,0]=3 135 B15R2.1356 CONC(C)c1cc2ccccc2s1 Amb27225614 [0,0,1,0,0,0|2,1,0]=4 136 B15R2.1356 CSCC(=O)c1cc2ccccc2o1 Amb26341693 [0,0,1,0,0,0|2,0,1]=4 137 B15R2.1356 C[C@H](N=C=O)c1cc2ccccc2o1 Amb27393021 [0,0,1,0,0,0|3,0,0]=4 138 B15R2.1356 N#CCC(O)c1cc2ccccc2o1 Amb27747707 [0,0,1,0,0,0|3,0,0]=4 139 B15R2.1356 N#CC[C@@H](N)c1cc2ccccc2o1 Amb28043115 [0,0,1,0,0,0|3,0,0]=4 140 B15R2.1356 N#CC[C@H](N)c1cc2ccccc2o1 Amb28397887 [0,0,1,0,0,0|3,0,0]=4 141 B15R2.1356 NC(CCO)c1cc2ccccc2o1 Amb24437874 [0,0,1,0,0,0|3,0,0]=4 142 B15R2.1356 NCCC(F)c1cc2ccccc2o1 Amb28059259 [0,0,1,0,0,0|3,0,0]=4 143 B15R2.1356 NCCC(O)c1cc2ccccc2o1 Amb18818555 [0,0,1,0,0,0|3,0,0]=4 144 B15R2.1592 C#CC(C)c1oc2ccccc2c1C Amb33373370 [0,0,1,0,0,0|1,0,1]=3 145 B15R2.1592 C=C(CBr)c1oc2ccccc2c1C Amb33336417 [0,0,1,0,0,0|1,0,2]=4 146 B15R2.1592 C=C(CN)c1oc2ccccc2c1C Amb33373354 [0,0,1,0,0,0|0,0,2]=3 147 B15R2.1592 C=CC(O)c1oc2ccccc2c1C Amb33422881 [0,0,1,0,0,0|2,0,1]=4 148 B15R2.1592 CC(CBr)c1cc2ccccc2n1C Amb33432491 [0,0,1,0,0,0|3,0,0]=4 149 B15R2.1592 CC(CN)C1Cc2ccccc2N1C Amb28135926 [0,0,1,0,0,0|2,0,1]=4 150 B15R2.1592 CC(CN)N1Cc2ccccc2C1=O Amb18819312 [0,0,1,0,0,0|3,0,0]=4 151 B15R2.1592 CC(CN)c1cc2ccccc2n1C Amb33345384 [0,0,1,0,0,0|2,0,0]=3 152 B15R2.1592 CC(CN)c1nc2ccncc2n1C Amb27765191 [0,0,1,0,0,0|3,0,0]=4 153 B15R2.1592 CC(CN)c1nc2ncccc2n1C Amb28288620 [0,0,1,0,0,0|3,0,0]=4 154 B15R2.1592 CC(CN)c1oc2ccccc2c1Br Amb28196565 [0,0,1,0,0,0|1,0,0]=2 155 B15R2.1592 CC(ON)c1cc2ccccc2n1C Amb33344089 [0,0,1,0,0,0|3,0,0]=4 156 B15R2.1592 CC[C@@H](N)c1oc2ccccc2c1C Amb28423408 [0,0,1,0,0,0|2,0,0]=3 157 B15R2.1592 CC[C@H](N)c1sc2ccccc2c1C Amb27167735 [0,0,1,0,0,0|2,1,0]=4 158 B15R2.1592 CNC(C)c1oc2ccccc2c1C Amb9620947 [0,0,1,0,0,0|2,0,0]=3 159 B15R2.1592 CN[C@H](C)c1oc2ccccc2c1C Amb28397920 [0,0,1,0,0,0|2,0,0]=3 160 B15R2.1592 CN[C@H](C)c1sc2ccccc2c1C Amb27611964 [0,0,1,0,0,0|2,1,0]=4 161 B15R2.1592 C\C(=N/O)c1oc2ccccc2c1C Amb7969800 [0,0,1,0,0,0|2,0,1]=4 162 B15R2.1592 Cc1c(C(=O)CBr)oc2ccccc12 Amb1105359 [0,0,1,0,0,0|2,0,1]=4 163 B15R2.1592 Cc1c(C(=O)CCl)oc2ccccc12 Amb24468256 [0,0,1,0,0,0|2,0,1]=4 164 B15R2.1592 Cc1c(C(=O)CN)oc2ccccc12 Amb18820527 [0,0,1,0,0,0|1,0,1]=3 165 B15R2.1592 Cc1c(C(=O)NN)oc2ccccc12 Amb6394195 [0,0,1,0,0,0|2,0,1]=4 166 B15R2.1592 Cc1c(C(C)C#N)oc2ccccc12 Amb33424872 [0,0,1,0,0,0|0,0,2]=3 167 B15R2.1592 Cc1c(C(C)C=O)oc2ccccc12 Amb33373363 [0,0,1,0,0,0|1,0,1]=3 168 B15R2.1592 Cc1c(C(C)CBr)oc2ccccc12 Amb33336029 [0,0,1,0,0,0|1,0,0]=2 169 B15R2.1592 Cc1c(C(C)CN)oc2ccccc12 Amb33424918 [0,0,1,0,0,0|0,0,0]=1 170 B15R2.1592 Cc1c(C(C)ON)oc2ccccc12 Amb33373380 [0,0,1,0,0,0|1,0,0]=2 171 B15R2.1592 Cc1c(C(F)CN)oc2ccccc12 Amb33422871 [0,0,1,0,0,0|1,0,0]=2 172 B15R2.1592 Cc1c(C(N)CF)oc2ccccc12 Amb2372601 [0,0,1,0,0,0|2,0,0]=3 173 B15R2.1592 Cc1c(C(N)CN)oc2ccccc12 Amb27596118 [0,0,1,0,0,0|1,0,0]=2 174 B15R2.1592 Cc1c(C(N)CN)sc2ccccc12 Amb27866249 [0,0,1,0,0,0|1,1,0]=3 175 B15R2.1592 Cc1c(C(N)CO)oc2ccccc12 Amb24671227 [0,0,1,0,0,0|2,0,0]=3 176 B15R2.1592 Cc1c(C(O)CBr)oc2ccccc12 Amb33336035 [0,0,1,0,0,0|2,0,0]=3 177 B15R2.1592 Cc1c(C(O)CCl)oc2ccccc12 Amb24521397 [0,0,1,0,0,0|2,0,0]=3 178 B15R2.1592 Cc1c(C(O)CF)oc2ccccc12 Amb33373359 [0,0,1,0,0,0|2,0,0]=3 179 B15R2.1592 Cc1c(C(O)CN)oc2ccccc12 Amb33424927 [0,0,1,0,0,0|1,0,0]=2 180 B15R2.1592 Cc1c(C(O)CO)oc2ccccc12 Amb33373361 [0,0,1,0,0,0|2,0,0]=3 181 B15R2.1592 Cc1c([C@@H](N)CO)oc2ccccc12 Amb28184168 [0,0,1,0,0,0|2,0,0]=3 182 B15R2.1592 Cc1c([C@@H](N)CO)sc2ccccc12 Amb28323194 [0,0,1,0,0,0|2,1,0]=4 183 B15R2.1592 Cc1c([C@@H](O)CN)oc2ccccc12 Amb33373664 [0,0,1,0,0,0|1,0,0]=2 184 B15R2.1592 Cc1c([C@H](N)CO)oc2ccccc12 Amb25878122 [0,0,1,0,0,0|2,0,0]=3 185 B15R2.1592 Cc1c([C@H](O)CCl)oc2ccccc12 Amb27387634 [0,0,1,0,0,0|2,0,0]=3 186 B15R2.1592 Cc1c([C@H](O)CN)oc2ccccc12 Amb33225540 [0,0,1,0,0,0|1,0,0]=2 187 B15R2.1592 Cn1c(C(F)CN)cc2ccccc21 Amb33344354 [0,0,1,0,0,0|3,0,0]=4 188 B15R2.1592 Cn1c(C(O)CN)cc2ccccc21 Amb18819229 [0,0,1,0,0,0|3,0,0]=4 189 B15R2.1592 Cn1c([C@@H](N)CN)cc2ccccc21 Amb28132630 [0,0,1,0,0,0|3,0,0]=4 190 B15R2.1592 Cn1c([C@@H](O)CN)cc2ccccc21 Amb33344353 [0,0,1,0,0,0|3,0,0]=4 191 B15R2.1592 Cn1c([C@H](N)CN)cc2ccccc21 Amb27831706 [0,0,1,0,0,0|3,0,0]=4 192 B15R2.1592 Cn1c([C@H](O)CN)cc2ccccc21 Amb33344350 [0,0,1,0,0,0|3,0,0]=4 193 B15R2.1592 NCC(=O)c1oc2ccccc2c1Br Amb27962644 [0,0,1,0,0,0|2,0,1]=4 194 B15R2.1592 [C-]#[N+]C(C)c1oc2ccccc2c1C Amb33422878 [0,0,1,0,0,0|2,0,0]=3 195 B15R2.4190 CC(C)c1nc2ccccn2c1CCl Amb17113838 [0,0,1,0,0,0|3,0,0]=4 196 B15R2.4190 CC(C)c1nc2ccccn2c1CN Amb18909894 [0,0,1,0,0,0|2,0,0]=3 197 B15R2.4190 CC(C)c1nc2ccccn2c1CO Amb17113744 [0,0,1,0,0,0|3,0,0]=4 198 B15R2.4190 CC(C)c1nn2cccnc2c1CN Amb18059723 [0,0,1,0,0,0|3,0,0]=4 199 B15R2.4190 CCc1c(C(C)=O)oc2ccccc12 Amb415924 [0,0,1,0,0,0|2,0,1]=4 200 B15R2.4190 CCc1c(C(C)N)oc2ccccc12 Amb13951241 [0,0,1,0,0,0|2,0,0]=3 201 B15R2.4190 CCc1c(C(C)N)oc2ccccc12 Amb9703759 [0,0,1,0,0,0|2,0,0]=3 202 B15R2.4190 CCc1c(C(C)O)oc2ccccc12 Amb9704447 [0,0,1,0,0,0|2,0,0]=3 203 B15R2.4190 CCc1c(C(C)S)oc2ccccc12 Amb7784753 [0,0,1,0,0,0|2,0,0]=3 204 B15R2.4190 CCc1c([C@@H](C)N)oc2ccccc12 Amb27947340 [0,0,1,0,0,0|2,0,0]=3 205 B15R2.4190 CCc1c([C@H](C)N)oc2ccccc12 Amb28043375 [0,0,1,0,0,0|2,0,0]=3 206 B15R2.4190 NCc1c(C(=O)O)oc2ccccc12 Amb28045086 [0,0,1,0,0,0|2,0,1]=4 207 B15R2.4190 NCc1c(C(=O)O)oc2ccccc12 Amb32664319 [0,0,1,0,0,0|2,0,1]=4 208 B15R2.4190 NCc1c(C(N)=O)oc2ccccc12 Amb13952610 [0,0,1,0,0,0|2,0,1]=4 209 B17R4.6847 c1ccn2c3c(nc2c1)C4CCC3C4 Amb27747882 [0,0,0,1,0,0|3,0,0]=4 210 B15R3.2249 CC1CCc2c1nc3ncccn23 Amb27882571 [0,0,0,0,1,0|3,0,0]=4 211 B15R3.2249 CC1CCn2c1nc3ccccc32 Amb27947557 [0,0,0,0,1,0|2,0,0]=3 212 B15R3.2249 CC1NCc2c1nc3ccccn23 Amb18825286 [0,0,0,0,1,0|2,0,0]=3 213 B15R3.2249 CC1NCn2c1nc3ccccc32 Amb28198846 [0,0,0,0,1,0|2,0,0]=3 214 B15R3.2249 NC1CCc2c1sc3ccccc23 Amb28250133 [0,0,0,0,1,0|1,1,0]=3 215 B15R3.2249 NC1CCn2c1cc3ccccc32 Amb18198245 [0,0,0,0,1,0|3,0,0]=4 216 B17R3.4465 BrC1CCCc2c1ccc3ccccc23 Amb28189787 [0,0,0,0,0,1|3,0,0]=4 217 B17R3.4486 CC1CCCn2c(nc3ccccc32)C1 Amb24092210 [0,0,0,0,0,1|3,0,0]=4 218 B17R3.50126 OC1CCCc2cc3ccccc3nc21 Amb21962961 [0,0,0,0,0,1|3,0,0]=4 219 B14R2.3 BrCCCc1csc2ccccc12 Amb26353125 [1,0,1,0,0,0|1,1,0]=4 220 B14R2.3 C=CCCc1coc2ccccc12 Amb35704125 [1,0,1,0,0,0|0,0,2]=4 221 B14R2.3 CCCCn1cnc2ccccc21 Amb1744547 [1,0,1,0,0,0|2,0,0]=4 222 B14R2.3 CCCNc1csc2ccccc12 Amb27186106 [1,0,1,0,0,0|0,1,0]=3 223 B14R2.3 CCCNc1nsc2ccccc12 Amb26845355 [1,0,1,0,0,0|1,1,0]=4 224 B14R2.3 CCNCc1cnc2ccccn12 Amb22713604 [1,0,1,0,0,0|2,0,0]=4 225 B14R2.3 CCNCc1cnn2ccccc12 Amb25693835 [1,0,1,0,0,0|2,0,0]=4 226 B14R2.3 CCNCc1coc2ccccc12 Amb19649832 [1,0,1,0,0,0|0,0,0]=2 227 B14R2.3 CCNCc1csc2ccccc12 Amb18994544 [1,0,1,0,0,0|0,1,0]=3 228 B14R2.3 CCOCc1coc2ccccc12 Amb27193439 [1,0,1,0,0,0|1,0,0]=3 229 B14R2.3 CNCCc1csc2ccccc12 Amb18129924 [1,0,1,0,0,0|1,1,0]=4 230 B14R2.3 CONCc1csc2ccccc12 Amb28205550 [1,0,1,0,0,0|1,1,0]=4 231 B14R2.3 ClCCCc1coc2ccccc12 Amb35704102 [1,0,1,0,0,0|1,0,0]=3 232 B14R2.3 ClCCCc1csc2ccccc12 Amb28193411 [1,0,1,0,0,0|1,1,0]=4 233 B14R2.3 FCCNc1noc2ccccc12 Amb27188077 [1,0,1,0,0,0|2,0,0]=4 234 B14R2.3 N#CCCc1coc2ccccc12 Amb27878503 [1,0,1,0,0,0|1,0,1]=4 235 B14R2.3 NCCCc1csc2ccccc12 Amb18910203 [1,0,1,0,0,0|1,1,0]=4 236 B14R2.3 NCCNc1noc2ccccc12 Amb28248500 [1,0,1,0,0,0|2,0,0]=4 237 B14R2.3 NCCSc1coc2ccccc12 Amb18130031 [1,0,1,0,0,0|2,0,0]=4 238 B14R2.3 NOCCc1coc2ccccc12 Amb24450105 [1,0,1,0,0,0|2,0,0]=4 239 B14R2.3 O=CCCc1coc2ccccc12 Amb28321950 [1,0,1,0,0,0|1,0,1]=4 240 B14R2.3 OCCCc1coc2ccccc12 Amb25898468 [1,0,1,0,0,0|1,0,0]=3 241 B14R2.3 OCCCc1csc2ccccc12 Amb25138282 [1,0,1,0,0,0|1,1,0]=4 242 B14R2.3 OCCSc1coc2ccccc12 Amb27399514 [1,0,1,0,0,0|2,0,0]=4 243 B14R2.3 SCCCc1coc2ccccc12 Amb27196744 [1,0,1,0,0,0|1,0,0]=3 244 B14R2.3 SCCCc1csc2ccccc12 Amb24405823 [1,0,1,0,0,0|1,1,0]=4 245 B14R2.21 CC1CNCC(c2ccccc2)C1 Amb33531683 [1,0,1,0,0,0|0,0,2]=4 246 B14R2.21 CC1CNCC(c2ccccc2)O1 Amb8868478 [1,0,1,0,0,0|1,0,1]=4 247 B14R2.21 C[C@@H]1CNC[C@H](c2ccccc2)O1 Amb26585104 [1,0,1,0,0,0|1,0,1]=4 248 B14R2.21 ClC1C=C(c2cccnc2)CNC1 Amb32989011 [1,0,1,0,0,0|2,0,0]=4 249 B14R2.21 NC1C=C(c2ccccc2)CNC1 Amb32989450 [1,0,1,0,0,0|1,0,0]=3 250 B14R2.21 NC1C=C(c2cccnc2)CNC1 Amb32989480 [1,0,1,0,0,0|2,0,0]=4 251 B14R2.21 N[C@@H]1C=C(c2ccccc2)CCC1 Amb27832427 [1,0,1,0,0,0|2,0,0]=4 252 B14R2.21 OC1C=C(c2ccccc2)CCC1 Amb6360004 [1,0,1,0,0,0|2,0,0]=4 253 B14R2.21 OC1C=C(c2ccccc2)CNC1 Amb28458394 [1,0,1,0,0,0|1,0,0]=3 254 B14R2.21 OC1C=C(c2cccnc2)CNC1 Amb32989153 [1,0,1,0,0,0|2,0,0]=4 255 B14R2.24 Brc1ccccc1C2=CCCCC2 Amb27669461 [1,0,1,0,0,0|2,0,0]=4 256 B14R2.24 CC1=C(c2ccncc2)CNCC1 Amb28128789 [1,0,1,0,0,0|2,0,0]=4 257 B14R2.24 Cc1ccccc1C2=CCCCC2 Amb4020561 [1,0,1,0,0,0|2,0,0]=4 258 B14R2.24 Cc1cccnc1C2=CCCNC2 Amb28242996 [1,0,1,0,0,0|2,0,0]=4 259 B14R2.24 Cc1ccncc1C2=CCCNC2 Amb27250295 [1,0,1,0,0,0|2,0,0]=4 260 B14R2.24 Cc1cnccc1C2=CCCNC2 Amb27188366 [1,0,1,0,0,0|2,0,0]=4 261 B14R2.24 Clc1ccccc1C2=CCCCC2 Amb25189712 [1,0,1,0,0,0|2,0,0]=4 262 B14R2.24 Clc1ccccc1C2=CCCNC2 Amb27233613 [1,0,1,0,0,0|1,0,0]=3 263 B14R2.24 Fc1ccccc1C2=CCCNC2 Amb27668554 [1,0,1,0,0,0|1,0,0]=3 264 B14R2.24 O=C1CCNCC1c2ccccc2 Amb18197173 [1,0,1,0,0,0|0,0,2]=4 265 B14R2.24 OC1CCNCC1c2ccccc2 Amb26376883 [1,0,1,0,0,0|0,0,2]=4 266 B14R2.24 Oc1ccccc1C2=CCCCC2 Amb23441393 [1,0,1,0,0,0|1,0,0]=3 267 B14R2.24 Oc1ccccc1C2=CCCNC2 Amb35751240 [1,0,1,0,0,0|0,0,0]=2 268 B14R2.24 Oc1ccccc1C2CCCNC2 Amb18062872 [1,0,1,0,0,0|0,0,2]=4 269 B14R2.24 Oc1ccccc1C2CNCCO2 Amb26961758 [1,0,1,0,0,0|1,0,1]=4 270 B14R2.24 Oc1ccccc1[C@@H]2CNCCN2 Amb27469645 [1,0,1,0,0,0|1,0,1]=4 271 B14R2.24 Oc1ccccc1[C@H]2CCCNC2 Amb27493083 [1,0,1,0,0,0|0,0,2]=4 272 B14R2.24 Oc1ccccc1[C@H]2CNCCN2 Amb28043137 [1,0,1,0,0,0|1,0,1]=4 273 B14R2.6 C(=C1CCNCC1)c2ccccc2 Amb20622494 [1,0,1,0,0,0|1,0,1]=4 274 B14R2.6 C(=C1CCNCC1)c2ccccc2 Amb32412174 [1,0,1,0,0,0|1,0,1]=4 275 B14R2.6 C1=C(Oc2ccccc2)CCCC1 Amb27495638 [1,0,1,0,0,0|1,0,0]=3 276 B14R2.6 C1=C(Sc2ccccc2)CCNC1 Amb27265950 [1,0,1,0,0,0|0,1,0]=3 277 B14R2.6 c1ccc(OC2CCNCC2)cc1 Amb2383152 [1,0,1,0,0,0|0,0,2]=4 278 B14R2.6 c1ccc(OC2CCNCC2)cc1 Amb6892786 [1,0,1,0,0,0|0,0,2]=4 279 B14R2.517 CNCC1c2ccccc2OC1C Amb27215649 [1,0,1,0,0,0|0,0,2]=4 280 B14R2.517 CNCc1c(C)nc2ccccn12 Amb2723332 [1,0,1,0,0,0|2,0,0]=4 281 B14R2.517 CNCc1c(C)oc2ccccc12 Amb25689631 [1,0,1,0,0,0|0,0,0]=2 282 B14R2.517 CNCc1c(C)oc2ccccc12 Amb33156927 [1,0,1,0,0,0|0,0,0]=2 283 B14R2.517 CNCc1c(Cl)oc2ccccc12 Amb24492009 [1,0,1,0,0,0|1,0,0]=3 284 B14R2.517 CNCc1c2ccccc2nn1C Amb33312187 [1,0,1,0,0,0|2,0,0]=4 285 B14R2.517 CSCc1c(C)sc2ccccc12 Amb27200108 [1,0,1,0,0,0|1,1,0]=4 286 B14R2.517 Cc1oc2ccccc2c1CC#N Amb18126778 [1,0,1,0,0,0|2,0,0]=4 287 B14R2.517 Cc1oc2ccccc2c1CCN Amb25187809 [1,0,1,0,0,0|2,0,0]=4 288 B14R2.517 Cc1oc2ccccc2c1CCN Amb33307172 [1,0,1,0,0,0|2,0,0]=4 289 B14R2.517 ONCc1c(Cl)oc2ccccc12 Amb26646224 [1,0,1,0,0,0|2,0,0]=4 290 B14R2.1129 CCc1c(C#N)oc2ccccc12 Amb18126769 [1,0,1,0,0,0|1,0,1]=4 291 B14R2.1129 CCc1c(CCl)oc2ccccc12 Amb28245315 [1,0,1,0,0,0|1,0,0]=3 292 B14R2.1129 CCc1nc2ccccc2n1CC Amb1746127 [1,0,1,0,0,0|2,0,0]=4 293 B14R2.1129 CCc1nc2ccccn2c1CN Amb18252273 [1,0,1,0,0,0|2,0,0]=4 294 B14R2.1129 CCc1oc2ccccc2c1C#N Amb445431 [1,0,1,0,0,0|0,0,2]=4 295 B14R2.1129 CCc1oc2ccccc2c1C=O Amb444020 [1,0,1,0,0,0|1,0,1]=4 296 B14R2.1129 CCc1oc2ccccc2c1CO Amb18180578 [1,0,1,0,0,0|1,0,0]=3 297 B14R2.1129 CCc1oc2ccccc2c1CS Amb32788715 [1,0,1,0,0,0|1,0,0]=3 298 B14R2.1129 CCc1sc2ccccc2c1SC Amb28133216 [1,0,1,0,0,0|1,1,0]=4 299 B14R2.1129 COc1c(CN)oc2ccccc12 Amb27809685 [1,0,1,0,0,0|2,0,0]=4 300 B14R2.1129 COc1c(CO)oc2ccccc12 Amb28316774 [1,0,1,0,0,0|2,0,0]=4 301 B14R2.67 C=CCCc1cc2ccccc2o1 Amb35715392 [1,0,1,0,0,0|1,0,1]=4 302 B14R2.67 CCCCC1=Cc2ccccc2C1 Amb15692408 [1,0,1,0,0,0|2,0,0]=4 303 B14R2.67 CCCCc1cc2ccccc2o1 Amb4019508 [1,0,1,0,0,0|1,0,0]=3 304 B14R2.67 CCCCc1cc2ccncc2o1 Amb27965777 [1,0,1,0,0,0|2,0,0]=4 305 B14R2.67 CCCCc1cc2cnccc2o1 Amb27193440 [1,0,1,0,0,0|2,0,0]=4 306 B14R2.67 CCCCc1nc2ccccc2o1 Amb17570156 [1,0,1,0,0,0|2,0,0]=4 307 B14R2.67 CCCSc1cc2ccccc2o1 Amb27968000 [1,0,1,0,0,0|2,0,0]=4 308 B14R2.67 CCNCc1cc2ccccc2o1 Amb20623588 [1,0,1,0,0,0|2,0,0]=4 309 B14R2.67 CCNCc1cc2ccccc2o1 Amb4061617 [1,0,1,0,0,0|2,0,0]=4 310 B14R2.67 CCOCc1cc2ccccc2o1 Amb27965776 [1,0,1,0,0,0|2,0,0]=4 311 B14R2.67 CNCCc1cc2ccccc2s1 Amb19648794 [1,0,1,0,0,0|0,1,0]=3 312 B14R2.67 CNCCc1cn2ccccc2n1 Amb18183955 [1,0,1,0,0,0|2,0,0]=4 313 B14R2.67 CNCCc1nc2ccccc2s1 Amb18292780 [1,0,1,0,0,0|1,1,0]=4 314 B14R2.67 CNCCc1nc2ncccc2o1 Amb18224558 [1,0,1,0,0,0|2,0,0]=4 315 B14R2.67 CN\N=C\c1cc2ccccc2o1 Amb27394717 [1,0,1,0,0,0|1,0,1]=4 316 B14R2.67 COCCc1cc2ccccc2s1 Amb22371692 [1,0,1,0,0,0|1,1,0]=4 317 B14R2.67 COCCc1nc2ccccc2o1 Amb17570232 [1,0,1,0,0,0|2,0,0]=4 318 B14R2.67 ClCCCc1cc2ccccc2o1 Amb27392260 [1,0,1,0,0,0|2,0,0]=4 319 B14R2.67 NCCCc1cc2ccccc2o1 Amb18559434 [1,0,1,0,0,0|2,0,0]=4 320 B14R2.67 OCCCc1cc2ccccc2o1 Amb28341346 [1,0,1,0,0,0|2,0,0]=4 321 B14R2.67 SCCCc1cc2ccccc2o1 Amb27851595 [1,0,1,0,0,0|2,0,0]=4 322 B14R2.972 CC(CBr)c1cc2ccccc2s1 Amb26018355 [1,0,1,0,0,0|1,1,0]=4 323 B14R2.972 CC(CCl)c1cc2ccccc2s1 Amb28370367 [1,0,1,0,0,0|1,1,0]=4 324 B14R2.972 CC(CN)C1Cc2ccccc2O1 Amb33739692 [1,0,1,0,0,0|0,0,2]=4 325 B14R2.972 CC(CN)c1cc2ccccc2s1 Amb25992693 [1,0,1,0,0,0|0,1,0]=3 326 B14R2.972 CC(CN)c1cn2ccccc2n1 Amb33148271 [1,0,1,0,0,0|2,0,0]=4 327 B14R2.972 CC(CN)c1nc2ccccc2o1 Amb18962946 [1,0,1,0,0,0|1,0,0]=3 328 B14R2.972 CC(CN)c1nc2ccccc2o1 Amb33533871 [1,0,1,0,0,0|1,0,0]=3 329 B14R2.972 CC(CN)c1nc2ccccc2s1 Amb13951381 [1,0,1,0,0,0|1,1,0]=4 330 B14R2.972 CC(CN)c1nc2ccccc2s1 Amb20668001 [1,0,1,0,0,0|1,1,0]=4 331 B14R2.972 CC(NN)c1cc2ccccc2o1 Amb6244719 [1,0,1,0,0,0|1,0,0]=3 332 B14R2.972 CC(NO)c1cc2ccccc2s1 Amb8396550 [1,0,1,0,0,0|1,1,0]=4 333 B14R2.972 CC(ON)c1cc2ccccc2s1 Amb33312842 [1,0,1,0,0,0|1,1,0]=4 334 B14R2.972 CCC(C)c1cc2ccccc2o1 Amb8387757 [1,0,1,0,0,0|0,0,0]=2 335 B14R2.972 CCC(C)c1nc2ccccc2o1 Amb17570155 [1,0,1,0,0,0|1,0,0]=3 336 B14R2.972 CCC(N)c1cc2ccccc2o1 Amb18967664 [1,0,1,0,0,0|1,0,0]=3 337 B14R2.972 CCC(N)c1nc2ccccc2o1 Amb9330272 [1,0,1,0,0,0|2,0,0]=4 338 B14R2.972 CCC(O)c1cc2ccccc2s1 Amb27489232 [1,0,1,0,0,0|1,1,0]=4 339 B14R2.972 CC[C@@H](N)c1cc2ccccc2s1 Amb27398669 [1,0,1,0,0,0|1,1,0]=4 340 B14R2.972 CC[C@H](O)c1nc2ccccc2o1 Amb27270898 [1,0,1,0,0,0|2,0,0]=4 341 B14R2.972 CNC(=O)c1cc2ccccc2o1 Amb1089716 [1,0,1,0,0,0|1,0,1]=4 342 B14R2.972 CNC(C)C1Cc2ccccc2O1 Amb20668421 [1,0,1,0,0,0|0,0,2]=4 343 B14R2.972 CNC(C)C1Cc2ccccc2O1 Amb22157233 [1,0,1,0,0,0|0,0,2]=4 344 B14R2.972 CNC(C)c1cc2ccccc2o1 Amb6661257 [1,0,1,0,0,0|0,0,0]=2 345 B14R2.972 CNC(C)c1cc2ccccc2s1 Amb19648795 [1,0,1,0,0,0|0,1,0]=3 346 B14R2.972 CNC(C)c1cn2ccccc2n1 Amb27792597 [1,0,1,0,0,0|2,0,0]=4 347 B14R2.972 CNC(C)c1nc2ccccc2s1 Amb2371159 [1,0,1,0,0,0|1,1,0]=4 348 B14R2.972 CNC(C)c1nc2ccccc2s1 Amb9677298 [1,0,1,0,0,0|1,1,0]=4 349 B14R2.972 CN[C@@H](C)c1cc2ccccc2o1 Amb27476108 [1,0,1,0,0,0|0,0,0]=2 350 B14R2.972 CN[C@H](C)c1cc2ccccc2o1 Amb28291488 [1,0,1,0,0,0|0,0,0]=2 351 B14R2.972 CSC(C)c1nc2ccccc2o1 Amb28320267 [1,0,1,0,0,0|2,0,0]=4 352 B14R2.972 C[C@@H](CN)C1Cc2ccccc2O1 Amb33744948 [1,0,1,0,0,0|0,0,2]=4 353 B14R2.972 C[C@H](CN)C1Cc2ccccc2O1 Amb33730088 [1,0,1,0,0,0|0,0,2]=4 354 B14R2.972 C[C@H](CO)c1cc2ccccc2o1 Amb27978431 [1,0,1,0,0,0|1,0,0]=3 355 B14R2.972 C[C@H](CO)c1cc2ccccc2s1 Amb27218965 [1,0,1,0,0,0|1,1,0]=4 356 B14R2.972 NC(CF)c1cc2ccccc2o1 Amb2372606 [1,0,1,0,0,0|2,0,0]=4 357 B14R2.972 NCC(=O)c1cc2ccccc2o1 Amb7094329 [1,0,1,0,0,0|1,0,1]=4 358 B14R2.972 NCC(F)c1cc2ccccc2s1 Amb33195453 [1,0,1,0,0,0|1,1,0]=4 359 B14R2.972 NCC(N)c1cc2ccccc2o1 Amb18196693 [1,0,1,0,0,0|1,0,0]=3 360 B14R2.972 NCC(O)c1cc2ccccc2s1 Amb2684323 [1,0,1,0,0,0|1,1,0]=4 361 B14R2.972 NC[C@@H](N)c1cc2ccccc2s1 Amb28282708 [1,0,1,0,0,0|1,1,0]=4 362 B14R2.972 NC[C@@H](O)c1cc2ccccc2s1 Amb25926361 [1,0,1,0,0,0|1,1,0]=4 363 B14R2.972 NC[C@H](O)c1cc2ccccc2s1 Amb27809180 [1,0,1,0,0,0|1,1,0]=4 364 B14R2.972 NC[C@H](O)c1cc2ccccc2s1 Amb32757511 [1,0,1,0,0,0|1,1,0]=4 365 B14R2.972 N[C@@H](CO)c1cc2ccccc2o1 Amb27859534 [1,0,1,0,0,0|2,0,0]=4 366 B14R2.972 OC(CCl)c1cc2ccccc2o1 Amb24368139 [1,0,1,0,0,0|2,0,0]=4 367 B14R2.972 OC[C@H](O)c1cc2ccccc2o1 Amb27605455 [1,0,1,0,0,0|2,0,0]=4 368 B14R2.972 O[C@H](CCl)c1cc2ccccc2o1 Amb25973728 [1,0,1,0,0,0|2,0,0]=4 369 B14R2.44 C#CCc1oc2ccccc2c1C Amb33373371 [1,0,1,0,0,0|1,0,1]=4 370 B14R2.44 CC1=C(CCN)Cc2ccccc21 Amb27476223 [1,0,1,0,0,0|1,0,0]=3 371 B14R2.44 CC1C(CCN)=Cc2ccccc21 Amb27407751 [1,0,1,0,0,0|1,0,1]=4 372 B14R2.44 CNCc1oc2ccccc2c1C Amb18055206 [1,0,1,0,0,0|2,0,0]=4 373 B14R2.44 COCc1oc2ccccc2c1C Amb28243206 [1,0,1,0,0,0|2,0,0]=4 374 B14R2.44 Cc1c(CC#N)oc2ccccc12 Amb18553892 [1,0,1,0,0,0|0,0,2]=4 375 B14R2.44 Cc1c(CC=O)oc2ccccc12 Amb33373364 [1,0,1,0,0,0|1,0,1]=4 376 B14R2.44 Cc1c(CCBr)oc2ccccc12 Amb33336024 [1,0,1,0,0,0|1,0,0]=3 377 B14R2.44 Cc1c(CCBr)sc2ccccc12 Amb28051558 [1,0,1,0,0,0|1,1,0]=4 378 B14R2.44 Cc1c(CCN)nc2ccccn12 Amb25997667 [1,0,1,0,0,0|2,0,0]=4 379 B14R2.44 Cc1c(CCN)oc2ccccc12 Amb18554084 [1,0,1,0,0,0|0,0,0]=2 380 B14R2.44 Cc1c(CCN)sc2ccccc12 Amb25849313 [1,0,1,0,0,0|0,1,0]=3 381 B14R2.44 Cc1c(CCO)oc2ccccc12 Amb33422882 [1,0,1,0,0,0|1,0,0]=3 382 B14R2.44 Cc1c(CCS)oc2ccccc12 Amb33372614 [1,0,1,0,0,0|1,0,0]=3 383 B14R2.44 Cc1c(CNN)oc2ccccc12 Amb19664672 [1,0,1,0,0,0|1,0,0]=3 384 B14R2.44 Cc1c(CNO)oc2ccccc12 Amb33327087 [1,0,1,0,0,0|2,0,0]=4 385 B14R2.44 Cc1c(CON)oc2ccccc12 Amb33225539 [1,0,1,0,0,0|1,0,0]=3 386 B14R2.44 Cn1c(CCN)cc2ccccc21 Amb18197544 [1,0,1,0,0,0|2,0,0]=4 387 B14R2.44 Cn1c(CCN)nc2ccccc21 Amb17622266 [1,0,1,0,0,0|2,0,0]=4 388 B14R2.44 Cn1c(CCN)nc2ccccc21 Amb21955462 [1,0,1,0,0,0|2,0,0]=4 389 B14R2.44 Cn1c(CCN)nc2ccccc21 Amb2721909 [1,0,1,0,0,0|2,0,0]=4 390 B14R2.44 NCCc1sc2ccccc2c1Cl Amb28202673 [1,0,1,0,0,0|1,1,0]=4 391 B14R2.44 [C-]#[N+]Cc1oc2ccccc2c1C Amb33422879 [1,0,1,0,0,0|2,0,0]=4 392 B14R2.450 CC(=O)c1oc2ccccc2c1C Amb415884 [1,0,1,0,0,0|1,0,1]=4 393 B14R2.450 CC(=O)c1oc2ccccc2c1N Amb1111489 [1,0,1,0,0,0|1,0,1]=4 394 B14R2.450 CC(C)c1cc2ccccn2c1N Amb18061682 [1,0,1,0,0,0|2,0,0]=4 395 B14R2.450 CC(C)c1nc2ccccc2n1C Amb1746245 [1,0,1,0,0,0|2,0,0]=4 396 B14R2.450 CC(C)c1nc2ccccn2c1N Amb17205853 [1,0,1,0,0,0|2,0,0]=4 397 B14R2.450 CC(C)c1nc2ccccn2c1N Amb33098509 [1,0,1,0,0,0|2,0,0]=4 398 B14R2.450 CC(N)C1Oc2ccccc2C1C Amb20667590 [1,0,1,0,0,0|0,0,2]=4 399 B14R2.450 CC(N)C1Oc2ccccc2C1C Amb26454027 [1,0,1,0,0,0|0,0,2]=4 400 B14R2.450 CC(N)c1cc2ccccc2n1C Amb27442888 [1,0,1,0,0,0|2,0,0]=4 401 B14R2.450 CC(N)c1nc2ccccc2n1C Amb1108745 [1,0,1,0,0,0|2,0,0]=4 402 B14R2.450 CC(N)c1nc2ccccc2n1C Amb19515340 [1,0,1,0,0,0|2,0,0]=4 403 B14R2.450 CC(N)c1nc2ccccc2n1C Amb22587146 [1,0,1,0,0,0|2,0,0]=4 404 B14R2.450 C[C@@H](N)c1cc2ccccc2n1C Amb24533858 [1,0,1,0,0,0|2,0,0]=4 405 B14R2.450 C[C@@H](N)c1nc2ccccc2n1C Amb24051754 [1,0,1,0,0,0|2,0,0]=4 406 B14R2.450 C[C@@H](N)c1nc2ccccc2n1C Amb28515616 [1,0,1,0,0,0|2,0,0]=4 407 B14R2.450 C[C@H](N)c1cc2ccccc2n1C Amb27858330 [1,0,1,0,0,0|2,0,0]=4 408 B14R2.450 C[C@H](N)c1sc2ccccc2c1O Amb28366148 [1,0,1,0,0,0|1,1,0]=4 409 B14R2.450 Cc1c(C(=N)N)oc2ccccc12 Amb25082005 [1,0,1,0,0,0|1,0,1]=4 410 B14R2.450 Cc1c(C(C)C)sc2ccccc12 Amb27209404 [1,0,1,0,0,0|0,1,0]=3 411 B14R2.450 Cc1c(C(C)N)oc2ccccc12 Amb10199856 [1,0,1,0,0,0|0,0,0]=2 412 B14R2.450 Cc1c(C(C)N)oc2ccccc12 Amb1108746 [1,0,1,0,0,0|0,0,0]=2 413 B14R2.450 Cc1c(C(C)N)sc2ccccc12 Amb33549953 [1,0,1,0,0,0|0,1,0]=3 414 B14R2.450 Cc1c(C(C)N)sc2ccccc12 Amb9209181 [1,0,1,0,0,0|0,1,0]=3 415 B14R2.450 Cc1c(C(C)O)oc2ccccc12 Amb9619603 [1,0,1,0,0,0|1,0,0]=3 416 B14R2.450 Cc1c(C(C)O)sc2ccccc12 Amb9619577 [1,0,1,0,0,0|1,1,0]=4 417 B14R2.450 Cc1c(C(C)S)oc2ccccc12 Amb32788555 [1,0,1,0,0,0|1,0,0]=3 418 B14R2.450 Cc1c(C(C)S)sc2ccccc12 Amb32788696 [1,0,1,0,0,0|1,1,0]=4 419 B14R2.450 Cc1c(C(N)=O)oc2ccccc12 Amb8998168 [1,0,1,0,0,0|1,0,1]=4 420 B14R2.450 Cc1c(C(N)=S)oc2ccccc12 Amb33372318 [1,0,1,0,0,0|1,0,1]=4 421 B14R2.450 Cc1c([C@@H](C)N)oc2ccccc12 Amb27465815 [1,0,1,0,0,0|0,0,0]=2 422 B14R2.450 Cc1c([C@@H](C)N)oc2ccccc12 Amb32729451 [1,0,1,0,0,0|0,0,0]=2 423 B14R2.450 Cc1c([C@@H](C)N)sc2ccccc12 Amb27971786 [1,0,1,0,0,0|0,1,0]=3 424 B14R2.450 Cc1c([C@@H](C)N)sc2ccccc12 Amb33307148 [1,0,1,0,0,0|0,1,0]=3 425 B14R2.450 Cc1c([C@@H](C)O)oc2ccccc12 Amb28249870 [1,0,1,0,0,0|1,0,0]=3 426 B14R2.450 Cc1c([C@@H](C)O)sc2ccccc12 Amb27971656 [1,0,1,0,0,0|1,1,0]=4 427 B14R2.450 Cc1c([C@H](C)N)oc2ccccc12 Amb27812764 [1,0,1,0,0,0|0,0,0]=2 428 B14R2.450 Cc1c([C@H](C)N)oc2ccccc12 Amb32729467 [1,0,1,0,0,0|0,0,0]=2 429 B14R2.450 Cc1c([C@H](C)N)sc2ccccc12 Amb26877191 [1,0,1,0,0,0|0,1,0]=3 430 B14R2.450 Cc1c([C@H](C)N)sc2ccccc12 Amb33307170 [1,0,1,0,0,0|0,1,0]=3 431 B14R2.450 Cc1c([C@H](C)O)oc2ccccc12 Amb26845319 [1,0,1,0,0,0|1,0,0]=3 432 B14R2.450 Cc1c([C@H](C)O)sc2ccccc12 Amb25776423 [1,0,1,0,0,0|1,1,0]=4 433 B16R2.5 CCOC(=O)Cc1coc2ccccc12 Amb2723683 [0,1,1,0,0,0|2,0,0]=4 434 B16R2.6 CCCCNCc1csc2ccccc12 Amb19649473 [0,1,1,0,0,0|0,1,0]=3 435 B16R2.6 CCCNCCn1cnc2ccccc21 Amb9339077 [0,1,1,0,0,0|2,0,0]=4 436 B16R2.6 COCCNCc1coc2ccccc12 Amb19649835 [0,1,1,0,0,0|0,0,0]=2 437 B16R2.6 ClCCCC#Cc1coc2ccccc12 Amb35704097 [0,1,1,0,0,0|1,0,1]=4 438 B16R2.6 OCCCNCc1csc2ccccc12 Amb33442305 [0,1,1,0,0,0|0,1,0]=3 439 B16R2.14 CC(CO)NCc1csc2ccccc12 Amb18313694 [0,1,1,0,0,0|1,1,0]=4 440 B16R2.14 CCC(C)NCc1csc2ccccc12 Amb33442306 [0,1,1,0,0,0|0,1,0]=3 441 B16R2.36 CC(C)CNCc1csc2ccccc12 Amb28963525 [0,1,1,0,0,0|0,1,0]=3 442 B16R2.36 CC(O)CNCc1csc2ccccc12 Amb19027872 [0,1,1,0,0,0|0,1,0]=3 443 B16R2.6329 CCCNCc1cn(C)c2ccccc12 Amb18566605 [0,1,1,0,0,0|1,0,0]=3 444 B16R2.6329 CCCNCc1cn(C)c2ccccc12 Amb21969142 [0,1,1,0,0,0|1,0,0]=3 445 B16R2.6329 Cn1cc(CNCCO)c2ccccc21 Amb18865030 [0,1,1,0,0,0|2,0,0]=4 446 B16R2.6329 Cn1cc(CNCCO)c2ccccc21 Amb21969129 [0,1,1,0,0,0|2,0,0]=4 447 B16R2.14594 CC1(C)CNCC(c2ccccc2)C1=O Amb18785387 [0,1,1,0,0,0|0,0,2]=4 448 B16R2.14594 CC1(C)CNCC(c2ccccc2)C1O Amb18782347 [0,1,1,0,0,0|0,0,2]=4 449 B16R2.3259 CC1CNCC(=O)N1Cc2ccccc2 Amb27172310 [0,1,1,0,0,0|2,0,0]=4 450 B16R2.3286 C[C@@]1(O)CNCC[C@H]1Oc2ccccc2 Amb30531058 [0,1,1,0,0,0|0,0,2]=4 451 B16R2.112 CCc1nc2ccccc2n1CCNC Amb20414290 [0,1,1,0,0,0|2,0,0]=4 452 B16R2.1625 CCc1oc2ccccc2c1CC(=O)O Amb19000797 [0,1,1,0,0,0|2,0,0]=4 453 B16R2.1625 CN(C)Cc1c(CO)sc2ccccc12 Amb19649479 [0,1,1,0,0,0|1,1,0]=4 454 B16R2.2245 CCc1ccccc1C2=CC(N)CNC2 Amb32989577 [0,1,1,0,0,0|2,0,0]=4 455 B16R2.2245 COc1ccccc1C2=CC(N)CNC2 Amb32989590 [0,1,1,0,0,0|1,0,0]=3 456 B16R2.2245 COc1ccccc1C2=CC(O)CNC2 Amb32989253 [0,1,1,0,0,0|1,0,0]=3 457 B16R2.2245 COc1cccnc1C2=CC(Cl)CNC2 Amb32989005 [0,1,1,0,0,0|2,0,0]=4 458 B16R2.2245 COc1cccnc1C2=CC(N)CNC2 Amb32989509 [0,1,1,0,0,0|2,0,0]=4 459 B16R2.2245 COc1cccnc1C2=CC(O)CNC2 Amb32989314 [0,1,1,0,0,0|2,0,0]=4 460 B16R2.2245 COc1ccncc1C2=CC(Cl)CNC2 Amb32988968 [0,1,1,0,0,0|2,0,0]=4 461 B16R2.2245 COc1ccncc1C2=CC(N)CNC2 Amb32989503 [0,1,1,0,0,0|2,0,0]=4 462 B16R2.2245 COc1ccncc1C2=CC(O)CNC2 Amb32989310 [0,1,1,0,0,0|2,0,0]=4 463 B16R2.2245 COc1ncccc1C2=CC(Cl)CNC2 Amb32988997 [0,1,1,0,0,0|2,0,0]=4 464 B16R2.2245 COc1ncccc1C2=CC(N)CNC2 Amb32989477 [0,1,1,0,0,0|2,0,0]=4 465 B16R2.2245 COc1ncccc1C2=CC(O)CNC2 Amb32989315 [0,1,1,0,0,0|2,0,0]=4 466 B16R2.2908 Cc1cc(F)ccc1C2=CC(N)CNC2 Amb32989461 [0,1,1,0,0,0|2,0,0]=4 467 B16R2.2908 Cc1cc(F)ccc1C2=CC(O)CNC2 Amb32989257 [0,1,1,0,0,0|2,0,0]=4 468 B16R2.2908 Cc1ccc(C2=CC(N)CNC2)c(C)c1 Amb32989645 [0,1,1,0,0,0|2,0,0]=4 469 B16R2.2908 Cc1ccc(C2=CC(N)CNC2)c(F)c1 Amb32989737 [0,1,1,0,0,0|2,0,0]=4 470 B16R2.2908 Cc1ccc(C2=CC(O)CNC2)c(F)c1 Amb32989419 [0,1,1,0,0,0|2,0,0]=4 471 B16R2.2908 NC1C=C(c2ccc(Cl)cc2F)CNC1 Amb32989570 [0,1,1,0,0,0|2,0,0]=4 472 B16R2.2908 NC1C=C(c2ccc(F)cc2F)CNC1 Amb32989557 [0,1,1,0,0,0|2,0,0]=4 473 B16R2.2908 OC1C=C(c2ccc(Cl)cc2F)CNC1 Amb32989300 [0,1,1,0,0,0|2,0,0]=4 474 B16R2.2908 OC1C=C(c2ccc(F)cc2F)CNC1 Amb32989286 [0,1,1,0,0,0|2,0,0]=4 475 B16R2.2911 Cc1ccc(C)c(C2=CC(N)CNC2)c1 Amb32989567 [0,1,1,0,0,0|2,0,0]=4 476 B16R2.2911 Cc1ccc(F)c(C2=CC(N)CNC2)c1 Amb32989639 [0,1,1,0,0,0|2,0,0]=4 477 B16R2.2911 Cc1ccc(F)c(C2=CC(O)CNC2)c1 Amb32989268 [0,1,1,0,0,0|2,0,0]=4 478 B16R2.2911 Cc1ccc(F)cc1C2=CC(N)CNC2 Amb32989646 [0,1,1,0,0,0|2,0,0]=4 479 B16R2.2911 Cc1ccc(F)cc1C2=CC(O)CNC2 Amb32989325 [0,1,1,0,0,0|2,0,0]=4 480 B16R2.2911 NC1C=C(c2cc(Br)ccc2F)CNC1 Amb32989548 [0,1,1,0,0,0|2,0,0]=4 481 B16R2.2911 NC1C=C(c2cc(F)ccc2Cl)CNC1 Amb32989581 [0,1,1,0,0,0|2,0,0]=4 482 B16R2.2911 NC1C=C(c2cc(F)ccc2F)CNC1 Amb32989545 [0,1,1,0,0,0|2,0,0]=4 483 B16R2.2911 OC1C=C(c2cc(Br)ccc2F)CNC1 Amb32989319 [0,1,1,0,0,0|2,0,0]=4 484 B16R2.2911 OC1C=C(c2cc(F)ccc2Cl)CNC1 Amb32989298 [0,1,1,0,0,0|2,0,0]=4 485 B16R2.2911 OC1C=C(c2cc(F)ccc2F)CNC1 Amb32989256 [0,1,1,0,0,0|2,0,0]=4 486 B16R2.3274 CC1(C)CNCC(c2ccccc2O)N1 Amb18780432 [0,1,1,0,0,0|1,0,1]=4 487 B16R2.11922 NC1C=C(c2c(F)cccc2Cl)CNC1 Amb32989595 [0,1,1,0,0,0|2,0,0]=4 488 B16R2.11922 NC1C=C(c2c(F)cccc2F)CNC1 Amb32989496 [0,1,1,0,0,0|2,0,0]=4 489 B16R2.11922 OC1C=C(c2c(F)cccc2Cl)CNC1 Amb32989299 [0,1,1,0,0,0|2,0,0]=4 490 B16R2.11922 OC1C=C(c2c(F)cccc2F)CNC1 Amb32989285 [0,1,1,0,0,0|2,0,0]=4 491 B16R2.755 CCCC(Cl)c1cc2cc(F)ccc2o1 Amb27403297 [0,1,1,0,0,0|2,0,0]=4 492 B16R2.755 CCCC(N)c1cc2cc(Br)ccc2o1 Amb32991452 [0,1,1,0,0,0|2,0,0]=4 493 B16R2.755 CCCC(N)c1cc2cc(C)ccc2o1 Amb32991387 [0,1,1,0,0,0|2,0,0]=4 494 B16R2.755 CCCC(N)c1cc2cc(Cl)ccc2o1 Amb32991490 [0,1,1,0,0,0|2,0,0]=4 495 B16R2.755 CCCC(N)c1cc2cc(F)ccc2o1 Amb32991393 [0,1,1,0,0,0|2,0,0]=4 496 B16R2.755 CCCC(N)c1cc2ccc(Br)cc2o1 Amb32991475 [0,1,1,0,0,0|2,0,0]=4 497 B16R2.755 CCCC(N)c1cc2ccc(C)cc2o1 Amb32991424 [0,1,1,0,0,0|2,0,0]=4 498 B16R2.755 CCCC(N)c1cc2ccc(F)cc2o1 Amb32991441 [0,1,1,0,0,0|2,0,0]=4 499 B16R2.755 CCC[C@@H](N)c1cc2cc(Br)ccc2o1 Amb32991694 [0,1,1,0,0,0|2,0,0]=4 500 B16R2.755 CCC[C@@H](N)c1cc2cc(C)ccc2o1 Amb32991628 [0,1,1,0,0,0|2,0,0]=4 501 B16R2.755 CCC[C@@H](N)c1cc2cc(Cl)ccc2o1 Amb32991734 [0,1,1,0,0,0|2,0,0]=4 502 B16R2.755 CCC[C@@H](N)c1cc2cc(F)ccc2o1 Amb32991634 [0,1,1,0,0,0|2,0,0]=4 503 B16R2.755 CCC[C@@H](N)c1cc2ccc(Br)cc2o1 Amb32991718 [0,1,1,0,0,0|2,0,0]=4 504 B16R2.755 CCC[C@@H](N)c1cc2ccc(C)cc2o1 Amb32991666 [0,1,1,0,0,0|2,0,0]=4 505 B16R2.755 CCC[C@@H](N)c1cc2ccc(F)cc2o1 Amb32991682 [0,1,1,0,0,0|2,0,0]=4 506 B16R2.755 CCC[C@H](N)c1cc2cc(Br)ccc2o1 Amb32991570 [0,1,1,0,0,0|2,0,0]=4 507 B16R2.755 CCC[C@H](N)c1cc2cc(C)ccc2o1 Amb32991504 [0,1,1,0,0,0|2,0,0]=4 508 B16R2.755 CCC[C@H](N)c1cc2cc(Cl)ccc2o1 Amb32991611 [0,1,1,0,0,0|2,0,0]=4 509 B16R2.755 CCC[C@H](N)c1cc2cc(F)ccc2o1 Amb32991510 [0,1,1,0,0,0|2,0,0]=4 510 B16R2.755 CCC[C@H](N)c1cc2ccc(Br)cc2o1 Amb32991595 [0,1,1,0,0,0|2,0,0]=4 511 B16R2.755 CCC[C@H](N)c1cc2ccc(C)cc2o1 Amb32991542 [0,1,1,0,0,0|2,0,0]=4 512 B16R2.755 CCC[C@H](N)c1cc2ccc(F)cc2o1 Amb32991558 [0,1,1,0,0,0|2,0,0]=4 513 B16R2.757 CNCC(=O)c1oc2ccccc2c1C Amb33424915 [0,1,1,0,0,0|1,0,1]=4 514 B16R2.757 CNCC(O)c1cc2ccccc2n1C Amb33079623 [0,1,1,0,0,0|2,0,0]=4 515 B16R2.757 CNCC(O)c1oc2ccccc2c1C Amb18782756 [0,1,1,0,0,0|1,0,0]=3 516 B16R2.757 Cc1c(C(C)CCN)oc2ccccc12 Amb33424797 [0,1,1,0,0,0|2,0,0]=4 517 B16R2.757 Cc1c(C(C)CON)oc2ccccc12 Amb33373381 [0,1,1,0,0,0|2,0,0]=4 518 B16R2.2128 CC(NCCO)c1cc2ccccc2o1 Amb7764618 [0,1,1,0,0,0|2,0,0]=4 519 B16R2.2128 CCCNC(C)c1cc2ccccc2o1 Amb10610075 [0,1,1,0,0,0|1,0,0]=3 520 B16R2.2128 CCCNC(C)c1cc2ccccc2o1 Amb6278280 [0,1,1,0,0,0|1,0,0]=3 521 B16R2.2128 NCCCC(O)c1cc2ccccc2o1 Amb18782861 [0,1,1,0,0,0|2,0,0]=4 522 B16R2.2189 CCC(C)C(N)c1cc2ccccc2o1 Amb32991498 [0,1,1,0,0,0|2,0,0]=4 523 B16R2.2189 CCC(C)[C@@H](N)c1cc2ccccc2o1 Amb32991745 [0,1,1,0,0,0|2,0,0]=4 524 B16R2.2189 CCC(C)[C@H](N)c1cc2ccccc2o1 Amb32991622 [0,1,1,0,0,0|2,0,0]=4 525 B16R2.2189 CN[C@@H](C)C(=O)c1cc2ccccc2o1 Amb35662208 [0,1,1,0,0,0|1,0,1]=4 526 B16R2.2189 COC(=O)C(C)c1cc2ccccc2o1 Amb25119511 [0,1,1,0,0,0|1,0,1]=4 527 B16R2.6206 CC(O)(CCN)c1cc2ccccc2o1 Amb18782858 [0,1,1,0,0,0|2,0,0]=4 528 B16R2.11592 CC(C)CC(N)c1cc2ccccc2o1 Amb32991496 [0,1,1,0,0,0|2,0,0]=4 529 B16R2.11592 CC(C)C[C@@H](N)c1cc2ccccc2o1 Amb32991742 [0,1,1,0,0,0|2,0,0]=4 530 B16R2.11592 CC(C)C[C@H](N)c1cc2ccccc2o1 Amb32991619 [0,1,1,0,0,0|2,0,0]=4 531 B16R2.11592 CC(C)NC(C)c1cc2ccccc2o1 Amb6685541 [0,1,1,0,0,0|2,0,0]=4 532 B16R2.433 Cc1c(C(CN)CO)oc2ccccc12 Amb33422872 [0,1,1,0,0,0|0,0,0]=2 533 B16R2.433 Cn1c(C(CN)CO)cc2ccccc21 Amb33344355 [0,1,1,0,0,0|2,0,0]=4 534 B16R2.3355 Cc1c(C(=O)C(C)N)oc2ccccc12 Amb33224955 [0,1,1,0,0,0|1,0,1]=4 535 B16R2.3355 Cc1c(C(C)C(=O)O)oc2ccccc12 Amb33424922 [0,1,1,0,0,0|1,0,1]=4 536 B16R2.3355 Cc1c(C(N)C(C)C)oc2ccccc12 Amb9212321 [0,1,1,0,0,0|2,0,0]=4 537 B16R2.3355 Cc1c(C(N)C(F)F)oc2ccccc12 Amb32745935 [0,1,1,0,0,0|2,0,0]=4 538 B16R2.3355 Cc1c(C(O)C(F)F)oc2ccccc12 Amb32746263 [0,1,1,0,0,0|2,0,0]=4 539 B16R2.3855 C#CC(C)(C)c1oc2ccccc2c1C Amb33373366 [0,1,1,0,0,0|1,0,1]=4 540 B16R2.3855 CNC(C)(C)c1oc2ccccc2c1C Amb33372642 [0,1,1,0,0,0|2,0,0]=4 541 B16R2.3855 Cc1c(C(C)(C)C#N)oc2ccccc12 Amb33424908 [0,1,1,0,0,0|0,0,2]=4 542 B16R2.3855 Cc1c(C(C)(C)C=O)oc2ccccc12 Amb33422884 [0,1,1,0,0,0|1,0,1]=4 543 B16R2.3855 Cc1c(C(C)(C)CBr)oc2ccccc12 Amb33336032 [0,1,1,0,0,0|1,0,0]=3 544 B16R2.3855 Cc1c(C(C)(C)CN)oc2ccccc12 Amb33424752 [0,1,1,0,0,0|0,0,0]=2 545 B16R2.3855 Cc1c(C(C)(C)CO)oc2ccccc12 Amb33422883 [0,1,1,0,0,0|1,0,0]=3 546 B16R2.3855 Cc1c(C(C)(C)ON)oc2ccccc12 Amb33373379 [0,1,1,0,0,0|1,0,0]=3 547 B16R2.3855 Cc1c(C(C)(N)CO)oc2ccccc12 Amb33448448 [0,1,1,0,0,0|1,0,0]=3 548 B16R2.3855 Cc1c(C(C)(O)CN)oc2ccccc12 Amb33373004 [0,1,1,0,0,0|0,0,0]=2 549 B16R2.3855 Cc1c(C(F)(F)CN)oc2ccccc12 Amb32745541 [0,1,1,0,0,0|1,0,0]=3 550 B16R2.3855 Cc1c(C(F)(F)CO)oc2ccccc12 Amb32745533 [0,1,1,0,0,0|2,0,0]=4 551 B16R2.3855 Cn1c(C(C)(C)CN)cc2ccccc21 Amb18786463 [0,1,1,0,0,0|2,0,0]=4 552 B16R2.3855 Cn1c(C(C)(O)CN)cc2ccccc21 Amb33343574 [0,1,1,0,0,0|2,0,0]=4 553 B16R2.34051 CC(CN)c1c(Br)c2ccccc2n1C Amb33435842 [0,1,1,0,0,0|2,0,0]=4 554 B16R2.6151 CC(C)(C)c1nc2ccccn2c1CN Amb17129167 [0,1,1,0,0,0|2,0,0]=4 555 B16R2.11036 CC(C)c1nc2ccc(F)cn2c1CN Amb17213329 [0,1,1,0,0,0|2,0,0]=4 556 B16R2.48851 CC(C)c1c(CN)c2ccccc2n1C Amb5781895 [0,1,1,0,0,0|1,0,0]=3 557 B16R2.72969 CC(C)c1nc2cccc(Br)n2c1CN Amb17213196 [0,1,1,0,0,0|2,0,0]=4 558 B16R3.2583 Brc1ccc2nc3c(n2c1)CNCC3 Amb18698877 [1,1,0,0,0,0|2,0,0]=4 559 B16R3.2583 Brc1ccc2oc3c(c2c1)CCNC3 Amb18698906 [1,1,0,0,0,0|2,0,0]=4 560 B16R3.2583 CN1CCc2nc3ccccn3c2C1 Amb27747883 [1,1,0,0,0,0|2,0,0]=4 561 B16R3.2583 Cc1ccc2nc3c(n2c1)CNCC3 Amb17074434 [1,1,0,0,0,0|2,0,0]=4 562 B16R3.2583 Clc1ccc2nc3c(n2c1)CNCC3 Amb18264871 [1,1,0,0,0,0|2,0,0]=4 563 B16R3.2583 Clc1ccc2oc3c(c2c1)CNCC3 Amb24453878 [1,1,0,0,0,0|0,0,0]=2 564 B16R3.2583 Nc1ccc2oc3c(c2c1)CCCC3 Amb6315823 [1,1,0,0,0,0|1,0,0]=3 565 B16R3.2583 Nc1ccc2oc3c(c2c1)CCCC3 Amb6872192 [1,1,0,0,0,0|1,0,0]=3 566 B16R3.2583 Oc1ccc2oc3c(c2c1)CCCC3 Amb1152694 [1,1,0,0,0,0|1,0,0]=3 567 B16R3.2637 Brc1ccc2c3c(oc2c1)CNCC3 Amb18698907 [1,1,0,0,0,0|2,0,0]=4 568 B16R3.2637 CC1Cc2cn3ccccc3c2CN1 Amb5736013 [1,1,0,0,0,0|2,0,0]=4 569 B16R3.2637 Cc1ccn2c3c(nc2c1)CCNC3 Amb17074435 [1,1,0,0,0,0|2,0,0]=4 570 B16R3.2637 Nc1ccc2c3c(oc2c1)CC=CC3 Amb28056061 [1,1,0,0,0,0|1,0,1]=4 571 B16R3.20606 Cn1c2c(c3ccccc31)CCCC2 Amb4040725 [1,1,0,0,0,0|2,0,0]=4 572 B16R3.20606 Cn1c2c(c3ccccc31)CNCC2 Amb6336961 [1,1,0,0,0,0|1,0,0]=3 573 B16R3.27838 CC1NCCc2cn3ccccc3c21 Amb5736015 [1,1,0,0,0,0|2,0,0]=4 574 B16R3.27838 CC1NCCc2nc3ccccc3n21 Amb27751899 [1,1,0,0,0,0|2,0,0]=4 575 B16R3.27838 CC1NCCc2nc3ccccn3c21 Amb18821403 [1,1,0,0,0,0|2,0,0]=4 576 B16R3.27838 Cc1cccc2nc3c(n12)CNCC3 Amb17074433 [1,1,0,0,0,0|2,0,0]=4 577 B16R3.27838 Clc1cccc2nc3c(n12)CNCC3 Amb18106576 [1,1,0,0,0,0|2,0,0]=4 578 B16R3.27838 O=C1CCCc2oc3ccccc3c21 Amb24409519 [1,1,0,0,0,0|1,0,1]=4 579 B16R3.27838 O=C1NCCc2sc3ccccc3c21 Amb28428429 [1,1,0,0,0,0|0,1,1]=4 580 B16R3.1517 CCC1CCc2c1nc3ccccn23 Amb28194740 [0,1,0,0,1,0|2,0,0]=4 581 B16R3.18038 Cc1ccn2c3c(nc2c1)C(C)CC3 Amb27174501 [0,1,0,0,1,0|2,0,0]=4 582 B16R3.18377 Cn1c2c(c3ccccc31)CCC2N Amb27747048 [0,1,0,0,1,0|2,0,0]=4 583 B16R3.18394 Cc1ccc2nc3c(n2c1)CCC3C Amb27588186 [0,1,0,0,1,0|2,0,0]=4 584 B14R1.123 CCCNCCCOc1ccccc1 Amb7761184 [0,0,2,0,0,0|0,0,2]=4 585 B14R1.60 CNCC(O)\C(C)=C\c1ccccc1 Amb33476418 [0,0,2,0,0,0|2,0,0]=4 586 B14R1.60 CNC[C@@H](C)N(O)Cc1ccccc1 Amb27454998 [0,0,2,0,0,0|1,0,1]=4 587 B14R1.587 C[C@H](CN)NC(=O)c1ccccc1O Amb27596198 [0,0,2,0,0,0|2,0,0]=4 588 B14R1.6474 CC\C(=N/C(C)C)c1ccccc1O Amb28381243 [0,0,2,0,0,0|2,0,0]=4 589 B14R1.863 COc1ccccc1OCC(C)CN Amb9029327 [0,0,2,0,0,0|1,0,1]=4 590 B16R3.8 C1=CC(c2coc3ccccc23)NC1 Amb35704255 [0,0,1,1,0,0|0,0,2]=4 591 B16R3.8 C1=Nc2ccccc2\C1=C3\CCCN3 Amb28457471 [0,0,1,1,0,0|1,0,1]=4 592 B16R3.8 c1ccc2c(C3CCCN3)csc2c1 Amb3788752 [0,0,1,1,0,0|0,1,0]=3 593 B16R3.8 c1ccc2c(C3CCNC3)coc2c1 Amb18191128 [0,0,1,1,0,0|2,0,0]=4 594 B16R3.8 c1ccc2c(C3NCCS3)csc2c1 Amb27794150 [0,0,1,1,0,0|1,1,0]=4 595 B16R3.8 c1ccc2c([C@H]3CCCN3)csc2c1 Amb27397597 [0,0,1,1,0,0|0,1,0]=3 596 B16R3.8 c1ccn2c(C3CCCN3)cnc2c1 Amb33274544 [0,0,1,1,0,0|2,0,0]=4 597 B16R3.8 c1ccn2ncc(C3CCCN3)c2c1 Amb24742992 [0,0,1,1,0,0|2,0,0]=4 598 B16R3.50 NC1CCC1c2coc3ccccc23 Amb35583424 [0,0,1,1,0,0|2,0,0]=4 599 B16R3.1722 c1ccc2c3c(oc2c1)CCCNC3 Amb28187051 [0,0,1,1,0,0|0,0,0]=2 600 B16R3.1722 c1ccc2c3c(oc2c1)CNCCC3 Amb27463138 [0,0,1,1,0,0|2,0,0]=4 601 B16R3.1813 c1ccc2c(CC3CNC3)coc2c1 Amb27263490 [0,0,1,1,0,0|2,0,0]=4 602 B16R3.1814 c1ccc2c(CNC3CC3)coc2c1 Amb19649834 [0,0,1,1,0,0|0,0,0]=2 603 B16R3.1814 c1ccc2c(CNC3CC3)csc2c1 Amb19649476 [0,0,1,1,0,0|0,1,0]=3 604 B16R3.1814 c1ccc2c(c1)OCC2CNC3CC3 Amb23586281 [0,0,1,1,0,0|0,0,2]=4 605 B16R3.6449 c1ccc2c(c1)OCC23CCCNC3 Amb28190967 [0,0,1,1,0,0|0,0,2]=4 606 B16R3.15948 Nc1ccccc1C2=CC3CCC2C3 Amb18129555 [0,0,1,1,0,0|2,0,0]=4 607 B16R3.5925 c1cc2oc(C3CCNC3)cc2cn1 Amb18820948 [0,0,1,1,0,0|1,0,0]=3 608 B16R3.5925 c1cc2sc(C3CCNC3)cc2cn1 Amb18783848 [0,0,1,1,0,0|1,1,0]=4 609 B16R3.5925 c1ccc2nn(C3CCNC3)cc2c1 Amb24342635 [0,0,1,1,0,0|2,0,0]=4 610 B16R3.5925 c1ccc2oc(C3CCCC3)nc2c1 Amb17570412 [0,0,1,1,0,0|2,0,0]=4 611 B16R3.5925 c1ccc2oc(C3CCCN3)cc2c1 Amb3788414 [0,0,1,1,0,0|2,0,0]=4 612 B16R3.5925 c1ccc2oc(C3CCNC3)cc2c1 Amb18559442 [0,0,1,1,0,0|0,0,0]=2 613 B16R3.5925 c1ccc2oc(C3CCNC3)nc2c1 Amb19046994 [0,0,1,1,0,0|1,0,0]=3 614 B16R3.5925 c1ccc2sc(C3CCNC3)cc2c1 Amb18785239 [0,0,1,1,0,0|0,1,0]=3 615 B16R3.5925 c1ccc2sc(C3CCNC3)nc2c1 Amb25080854 [0,0,1,1,0,0|1,1,0]=4 616 B16R3.5925 c1ccn2cc(C3CCNC3)nc2c1 Amb18821397 [0,0,1,1,0,0|2,0,0]=4 617 B16R3.5925 c1cnc2cc(C3CCNC3)sc2c1 Amb18783852 [0,0,1,1,0,0|1,1,0]=4 618 B16R3.5925 c1nncc2oc(C3CCNC3)cc12 Amb18820217 [0,0,1,1,0,0|2,0,0]=4 619 B16R3.32875 O=C1CC(c2cc3ccccc3o2)C1 Amb27639666 [0,0,1,1,0,0|2,0,0]=4 620 B16R3.32875 OC1CC(c2cc3ccccc3o2)C1 Amb27390329 [0,0,1,1,0,0|2,0,0]=4 621 B16R3.42430 ClCC1CC1c2cc3ccccc3o2 Amb27766733 [0,0,1,1,0,0|2,0,0]=4 622 B16R3.42430 NCC1CC1c2cc3ccccc3o2 Amb28283207 [0,0,1,1,0,0|2,0,0]=4 623 B16R3.95890 NC(c1cc2ccccc2o1)C3CC3 Amb19515045 [0,0,1,1,0,0|2,0,0]=4 624 B16R3.95890 N[C@@H](c1cc2ccccc2o1)C3CC3 Amb27461375 [0,0,1,1,0,0|2,0,0]=4 625 B16R3.95890 N[C@H](c1cc2ccccc2o1)C3CC3 Amb28067665 [0,0,1,1,0,0|2,0,0]=4 626 B16R3.126229 OC1(c2cc3ccccc3o2)COC1 Amb29871569 [0,0,1,1,0,0|2,0,0]=4 627 B16R3.126229 OC1(c2cc3ccccc3o2)CSC1 Amb28345850 [0,0,1,1,0,0|2,0,0]=4 628 B16R3.126229 OC1(c2cc3ccccc3s2)CNC1 Amb33312504 [0,0,1,1,0,0|1,1,0]=4 629 B16R3.2363 Cc1c(C2CC2N)oc3ccccc13 Amb33422887 [0,0,1,1,0,0|0,0,0]=2 630 B16R3.2363 Cc1c([C@@H]2C[C@H]2N)oc3ccccc13 Amb33422888 [0,0,1,1,0,0|0,0,0]=2 631 B16R3.2363 Cn1c(C2CC2N)cc3ccccc31 Amb33358692 [0,0,1,1,0,0|2,0,0]=4 632 B16R3.2363 Cn1c([C@@H]2C[C@H]2N)cc3ccccc31 Amb33344795 [0,0,1,1,0,0|2,0,0]=4 633 B16R3.2751 Cc1c(C2CCN2)oc3ccccc13 Amb25368336 [0,0,1,1,0,0|2,0,0]=4 634 B16R3.2751 Cc1c(C2CNC2)oc3ccccc13 Amb25672690 [0,0,1,1,0,0|0,0,0]=2 635 B16R3.2751 Cc1c(C2CNC2)sc3ccccc13 Amb27462155 [0,0,1,1,0,0|0,1,0]=3 636 B16R3.2751 Cc1c([C@@H]2CCN2)oc3ccccc13 Amb27251997 [0,0,1,1,0,0|2,0,0]=4 637 B16R3.2751 Cn1c(C2CNC2)cc3ccccc31 Amb25818766 [0,0,1,1,0,0|2,0,0]=4 638 B16R3.2751 Cn1c(C2CNC2)nc3ccccc31 Amb24559425 [0,0,1,1,0,0|2,0,0]=4 639 B16R3.2751 Cn1c(C2CNC2)nc3ccccc31 Amb35752541 [0,0,1,1,0,0|2,0,0]=4 640 B16R3.20648 Cc1c(C2(C)CO2)oc3ccccc13 Amb33373005 [0,0,1,1,0,0|1,0,0]=3 641 B16R3.20648 Cc1c(C2(N)CC2)oc3ccccc13 Amb33424934 [0,0,1,1,0,0|2,0,0]=4 642 B16R3.20648 Cc1c(C2(O)CC2)oc3ccccc13 Amb33424874 [0,0,1,1,0,0|2,0,0]=4 643 B16R3.5900 NCc1c(C2CC2)nc3ccccn13 Amb18909636 [0,0,1,1,0,0|2,0,0]=4 644 B14R2.4514 CC1CNN(c2ccccc2)C1=O Amb8487921 [0,0,1,0,1,0|1,0,1]=4 645 B14R2.4514 CC1NCN(c2ccccc2)C1=O Amb24607317 [0,0,1,0,1,0|1,0,1]=4 646 B14R2.30 CC1CNCC1Cc2ccccc2 Amb28056531 [0,0,1,0,1,0|1,0,1]=4 647 B14R2.30 CC1NCC\C1=C/c2ccccc2 Amb18127119 [0,0,1,0,1,0|1,0,1]=4 648 B14R2.30 C[C@@H]1CNC[C@H]1Cc2ccccc2 Amb33191275 [0,0,1,0,1,0|1,0,1]=4 649 B14R2.30 O=C1CCC=C1Oc2ccccc2 Amb28053964 [0,0,1,0,1,0|1,0,1]=4 650 B14R2.30 OC1CNCC1Oc2ccccc2 Amb18128428 [0,0,1,0,1,0|1,0,1]=4 651 B14R2.30 OC1CNCC1Oc2ccccc2 Amb32752849 [0,0,1,0,1,0|1,0,1]=4 652 B14R2.30 O[C@@H]1CNC[C@H]1Oc2ccccc2 Amb27152197 [0,0,1,0,1,0|1,0,1]=4 653 B14R2.30 O[C@@H]1CNC[C@H]1Oc2ccccc2 Amb32656009 [0,0,1,0,1,0|1,0,1]=4 654 B14R2.30 O[C@H]1CCC=C1Sc2ccccc2 Amb27397105 [0,0,1,0,1,0|1,1,0]=4 655 B14R2.256 CC1CNC(c2ccccc2S)=N1 Amb27666901 [0,0,1,0,1,0|1,1,0]=4 656 B14R2.256 C[C@@H]1CN[C@H](c2ccccc2O)C1 Amb28287401 [0,0,1,0,1,0|0,0,2]=4 657 B14R2.256 C[C@H]1CN[C@@H](c2ccccc2O)C1 Amb18195876 [0,0,1,0,1,0|0,0,2]=4 658 B14R2.256 NC1C=C(c2ccccc2Cl)CC1 Amb27817002 [0,0,1,0,1,0|2,0,0]=4 659 B14R2.256 NC1C=C(c2ccccc2F)CC1 Amb27606223 [0,0,1,0,1,0|2,0,0]=4 660 B14R2.256 OC1C=C(c2ccccc2F)CC1 Amb28193297 [0,0,1,0,1,0|2,0,0]=4 661 B14R2.296 CC1CCCN1c2ccccc2O Amb28074632 [0,0,1,0,1,0|2,0,0]=4 662 B14R2.296 CC1CNCC1c2ccccc2Br Amb26866817 [0,0,1,0,1,0|1,0,1]=4 663 B14R2.296 CC1CNCC1c2ccccc2Cl Amb27786751 [0,0,1,0,1,0|1,0,1]=4 664 B14R2.296 CC1CNCC1c2ccccc2F Amb25840956 [0,0,1,0,1,0|1,0,1]=4 665 B14R2.296 C[C@@H]1CNC[C@H]1c2ccccc2Br Amb18156602 [0,0,1,0,1,0|1,0,1]=4 666 B14R2.296 C[C@@H]1CNC[C@H]1c2ccccc2F Amb27967255 [0,0,1,0,1,0|1,0,1]=4 667 B14R2.296 Cc1ccccc1C2CNCC2C Amb26027825 [0,0,1,0,1,0|1,0,1]=4 668 B14R2.296 Oc1ccccc1C2CNCC2O Amb32945210 [0,0,1,0,1,0|1,0,1]=4 669 B14R2.296 Oc1ccccc1[C@@H]2CNC[C@H]2O Amb32944783 [0,0,1,0,1,0|1,0,1]=4 670 B14R3.49 C1=C2C(=Nc3ccccc32)CC1 Amb27423983 [1,0,0,0,1,0|1,0,1]=4 671 B14R3.49 c1cc2n(c1)CC3=C2CNCC3 Amb18199836 [1,0,0,0,1,0|2,0,0]=4 672 B14R3.49 c1cc2oc3c(c2cn1)NCC3 Amb18830268 [1,0,0,0,1,0|1,0,0]=3 673 B14R3.49 c1cc2sc3c(c2cn1)NCC3 Amb18196325 [1,0,0,0,1,0|1,1,0]=4 674 B14R3.49 c1ccc2c(c1)nc3n2CCC3 Amb2137051 [1,0,0,0,1,0|2,0,0]=4 675 B14R3.49 c1ccc2c(c1)nc3n2CNC3 Amb24089019 [1,0,0,0,1,0|2,0,0]=4 676 B14R3.49 c1ccc2c(c1)sc3[n+]2CCC3 Amb3592064 [1,0,0,0,1,0|1,1,0]=4 677 B14R3.49 c1ccc2c3c(oc2c1)CN=N3 Amb26464157 [1,0,0,0,1,0|1,0,1]=4 678 B14R3.49 c1ccc2c3c(oc2c1)CNC3 Amb18830377 [1,0,0,0,1,0|0,0,0]=2 679 B14R3.49 c1ccc2c3c(sc2c1)CNC3 Amb18197009 [1,0,0,0,1,0|0,1,0]=3 680 B14R3.49 c1ccc2c3c(sc2c1)NCC3 Amb18196943 [1,0,0,0,1,0|1,1,0]=4 681 B14R3.49 c1ccn2c3c(cc2c1)CNC3 Amb18830469 [1,0,0,0,1,0|2,0,0]=4 682 B14R3.49 c1ccn2c3c(nc2c1)CCC3 Amb27474098 [1,0,0,0,1,0|2,0,0]=4 683 B14R3.49 c1ccn2c3c(nc2c1)CCN3 Amb18830344 [1,0,0,0,1,0|2,0,0]=4 684 B14R3.49 c1ccn2c3c(nc2c1)CNC3 Amb18830345 [1,0,0,0,1,0|2,0,0]=4 685 B14R3.49 c1ccn2nc3c(c2c1)CNC3 Amb18830343 [1,0,0,0,1,0|2,0,0]=4 686 B14R3.49 c1cnc2c3c(oc2c1)CCN3 Amb18830269 [1,0,0,0,1,0|1,0,0]=3 687 B14R3.49 c1cnc2c3c(sc2c1)CCN3 Amb18825045 [1,0,0,0,1,0|1,1,0]=4 688 B14R3.49 c1cnc2oc3c(c2c1)NCC3 Amb18830270 [1,0,0,0,1,0|1,0,0]=3 689 B14R3.49 c1cnc2sc3c(c2c1)NCC3 Amb18196570 [1,0,0,0,1,0|1,1,0]=4 690 B16R2.2441 CCCNCC1COc2ccccc2O1 Amb22023 [0,0,1,0,0,1|0,0,2]=4 691 B16R2.2441 CCCNCC1COc2ccccc2O1 Amb2370759 [0,0,1,0,0,1|0,0,2]=4 692 B16R2.2441 CCCNCc1ccc2ccccc2c1 Amb6665841 [0,0,1,0,0,1|1,0,0]=3 693 B16R2.2441 OCCNCc1ccc2ccccc2c1 Amb7757056 [0,0,1,0,0,1|2,0,0]=4 694 B16R2.2441 OCCNCc1cnc2ccccc2c1 Amb19649748 [0,0,1,0,0,1|2,0,0]=4 695 B16R2.50359 CCCNCc1cccc2ccccc12 Amb838208 [0,0,1,0,0,1|1,0,0]=3 696 B16R2.50359 OCCNCc1cccc2ccccc12 Amb1846423 [0,0,1,0,0,1|2,0,0]=4 697 B16R2.50359 OCCNCc1nccc2ccccc12 Amb21861753 [0,0,1,0,0,1|2,0,0]=4 698 B16R2.14736 CC1CNCCN(c2ccccc2)C1=O Amb31116725 [0,0,1,0,0,1|1,0,1]=4 699 B16R2.64 CNCc1cc2ccccc2nc1OC Amb8911943 [0,0,1,0,0,1|2,0,0]=4 700 B16R2.105078 CNCc1c(OC)ccc2ccccc12 Amb8951598 [0,0,1,0,0,1|2,0,0]=4 701 B16R2.105078 CNCc1c(OC)cnc2ccccc12 Amb31116374 [0,0,1,0,0,1|2,0,0]=4 702 B16R2.767 CNCC(O)c1ccc2ccccc2c1 Amb18970404 [0,0,1,0,0,1|2,0,0]=4 703 B16R2.767 CNCC(O)c1ccc2ccccc2n1 Amb33429778 [0,0,1,0,0,1|2,0,0]=4 704 B16R2.767 CNCC(O)c1cnc2ccccc2c1 Amb18562960 [0,0,1,0,0,1|2,0,0]=4 705 B16R2.767 CNCC(O)c1cnc2ccccc2n1 Amb33448563 [0,0,1,0,0,1|2,0,0]=4 706 B16R2.1170 Cc1c(CC(N)CO)oc2ccccc12 Amb33422874 [0,0,1,0,0,1|2,0,0]=4 707 B16R2.1170 Cc1c(CC(O)CN)oc2ccccc12 Amb33372989 [0,0,1,0,0,1|1,0,0]=3 708 B16R2.33941 CC(CN)c1cc2ccccc2nc1Cl Amb33058655 [0,0,1,0,0,1|2,0,0]=4 709 B16R2.1612 CC(C)c1cc2ccccc2nc1NN Amb5746655 [0,0,1,0,0,1|2,0,0]=4 710 B16R2.1612 CC(C)c1nc2ccccc2cc1NN Amb33134408 [0,0,1,0,0,1|2,0,0]=4 711 B16R2.1612 CC(C)c1nc2ccccc2nc1CN Amb31172893 [0,0,1,0,0,1|1,0,0]=3 712 B16R2.40082 CC(C)c1cc(CN)c2ccccc2n1 Amb17237149 [0,0,1,0,0,1|1,0,0]=3 713 B16R2.40082 CN(C)c1cc(CN)c2ccccc2n1 Amb18285069 [0,0,1,0,0,1|2,0,0]=4 714 B16R3.9 c1ccc2c(c1)CCC3=C2CCCC3 Amb6359599 [1,0,0,0,0,1|2,0,0]=4 715 B16R3.9 c1ccc2c(c1)CO[C@H]3CCNC[C@@H]23 Amb27624473 [1,0,0,0,0,1|0,0,2]=4 716 B16R3.9 c1ccc2c(c1)OCN3CCNCC23 Amb18560873 [1,0,0,0,0,1|1,0,1]=4 717 B16R3.9 c1ccc2c3c(ccc2c1)CCNC3 Amb27849578 [1,0,0,0,0,1|1,0,0]=3 718 B16R3.9 c1ccc2c3c(ccc2c1)CCNC3 Amb33330561 [1,0,0,0,0,1|1,0,0]=3 719 B16R3.9 c1ccc2c3c(cnc2c1)CCCC3 Amb1871531 [1,0,0,0,0,1|2,0,0]=4 720 B16R3.9 c1ccc2c3c(cnc2c1)CCNC3 Amb24359012 [1,0,0,0,0,1|1,0,0]=3 721 B16R3.1726 c1ccc2c(c1)OC3CCNCC2C3 Amb27974239 [1,0,0,0,0,1|0,0,2]=4 722 B16R3.2620 ClC1CCc2c1ccc3ccccc23 Amb28070559 [0,0,0,0,1,1|2,0,0]=4 723 B16R3.2620 OC1CCc2c1ccc3ccccc23 Amb18318790 [0,0,0,0,1,1|2,0,0]=4 724 B18R3.103402 CN1CCNCc2cc3ccccc3nc21 Amb31133409 [0,0,0,0,0,2|2,0,0]=4