0 B15R3.3 C1=CC2c3ccccc3NC2CC1 Amb21953474 [0,0,0,0,0,0|1,0,3]=4 1 B15R3.3 C1=CNC2OC3=C(CNCC3)C2=C1 Amb27974601 [0,0,0,0,0,0|2,0,1]=3 2 B15R3.3 C1=Cc2sc3ccccc3c2CS1 Amb27762406 [0,0,0,0,0,0|2,0,2]=4 3 B15R3.3 C1=NCCc2c1oc3ccccc23 Amb27160727 [0,0,0,0,0,0|3,0,1]=4 4 B15R3.3 c1ccc2c(c1)CC3=C2CCCC3 Amb19887829 [0,0,0,0,0,0|2,0,0]=2 5 B15R3.3 c1ccc2c(c1)CC3=C2CNCC3 Amb25047437 [0,0,0,0,0,0|1,0,0]=1 6 B15R3.3 c1ccc2c(c1)CN3CCCN=C23 Amb27202615 [0,0,0,0,0,0|4,0,0]=4 7 B15R3.3 c1ccc2c(c1)CN3CCNCC23 Amb17194186 [0,0,0,0,0,0|2,0,1]=3 8 B15R3.3 c1ccc2c(c1)NC3=NCCCN32 Amb17756915 [0,0,0,0,0,0|3,0,0]=3 9 B15R3.3 c1ccc2c(c1)NC3=NCCN=C32 Amb28256283 [0,0,0,0,0,0|3,0,0]=3 10 B15R3.3 c1ccc2c(c1)NC3CCCCC23 Amb2713868 [0,0,0,0,0,0|1,0,2]=3 11 B15R3.3 c1ccc2c(c1)NC3CCCNC23 Amb33719090 [0,0,0,0,0,0|2,0,2]=4 12 B15R3.3 c1ccc2c(c1)NC3CCNCC23 Amb18063123 [0,0,0,0,0,0|0,0,2]=2 13 B15R3.3 c1ccc2c(c1)NC3CNCCC23 Amb18137512 [0,0,0,0,0,0|2,0,2]=4 14 B15R3.3 c1ccc2c(c1)NC3NCCCC23 Amb24645187 [0,0,0,0,0,0|2,0,2]=4 15 B15R3.3 c1ccc2c(c1)N[C@@H]3CCCC[C@@H]23 Amb27213322 [0,0,0,0,0,0|1,0,2]=3 16 B15R3.3 c1ccc2c(c1)N[C@@H]3CCNC[C@@H]23 Amb27490961 [0,0,0,0,0,0|0,0,2]=2 17 B15R3.3 c1ccc2c(c1)ON3CCCCC23 Amb27180426 [0,0,0,0,0,0|3,0,1]=4 18 B15R3.3 c1ccc2c(c1)cc3n2CCCC3 Amb22372259 [0,0,0,0,0,0|3,0,0]=3 19 B15R3.3 c1ccc2c(c1)cc3n2CCCN3 Amb18198213 [0,0,0,0,0,0|4,0,0]=4 20 B15R3.3 c1ccc2c(c1)cc3n2CCNC3 Amb18559565 [0,0,0,0,0,0|4,0,0]=4 21 B15R3.3 c1ccc2c(c1)cc3n2CCNC3 Amb19984846 [0,0,0,0,0,0|4,0,0]=4 22 B15R3.3 c1ccc2c(c1)cc3n2CCNC3 Amb26304176 [0,0,0,0,0,0|4,0,0]=4 23 B15R3.3 c1ccc2c(c1)cc3n2CCOC3 Amb27633411 [0,0,0,0,0,0|4,0,0]=4 24 B15R3.3 c1ccc2c(c1)nc3n2CCCC3 Amb24126348 [0,0,0,0,0,0|2,0,1]=3 25 B15R3.3 c1ccc2c(c1)nc3n2CCCN3 Amb845529 [0,0,0,0,0,0|3,0,1]=4 26 B15R3.3 c1ccc2c(c1)nc3n2CCCS3 Amb6388198 [0,0,0,0,0,0|3,0,1]=4 27 B15R3.3 c1ccc2c(c1)nc3n2CCNC3 Amb33734641 [0,0,0,0,0,0|3,0,1]=4 28 B15R3.3 c1ccc2c(c1)nc3n2CCNC3 Amb4159728 [0,0,0,0,0,0|3,0,1]=4 29 B15R3.3 c1ccc2c(c1)nc3n2CCOC3 Amb23452450 [0,0,0,0,0,0|3,0,1]=4 30 B15R3.3 c1ccc2c(c1)nc3n2CCSC3 Amb346985 [0,0,0,0,0,0|3,0,1]=4 31 B15R3.3 c1ccc2c(c1)nc3n2CNCC3 Amb25732072 [0,0,0,0,0,0|1,0,1]=2 32 B15R3.3 c1ccc2c(c1)sc3[n+]2CCCS3 Amb3984916 [0,0,0,0,0,0|4,0,0]=4 33 B15R3.3 c1ccc2c3c(oc2c1)CCNC3 Amb27230203 [0,0,0,0,0,0|1,0,0]=1 34 B15R3.3 c1ccc2c3c(oc2c1)CNCC3 Amb10603350 [0,0,0,0,0,0|3,0,0]=3 35 B15R3.3 c1ccc2c3c(oc2c1)CNCC3 Amb22728044 [0,0,0,0,0,0|3,0,0]=3 36 B15R3.3 c1ccc2c3c(sc2c1)CNCC3 Amb18129824 [0,0,0,0,0,0|3,0,0]=3 37 B15R3.3 c1ccc2c3n(nc2c1)CCCN3 Amb25191810 [0,0,0,0,0,0|3,0,1]=4 38 B15R3.3 c1ccn2c3c(cc2c1)CCCC3 Amb28322805 [0,0,0,0,0,0|3,0,0]=3 39 B15R3.3 c1ccn2c3c(nc2c1)CCCC3 Amb16192256 [0,0,0,0,0,0|2,0,1]=3 40 B15R3.3 c1ccn2c3c(nc2c1)CCCN3 Amb18197936 [0,0,0,0,0,0|3,0,1]=4 41 B15R3.3 c1ccn2c3c(nc2c1)CCNC3 Amb17074432 [0,0,0,0,0,0|1,0,1]=2 42 B15R3.3 c1ccn2c3c(nc2c1)CCNC3 Amb35750780 [0,0,0,0,0,0|1,0,1]=2 43 B15R3.3 c1ccn2c3c(nc2c1)CNCC3 Amb18197933 [0,0,0,0,0,0|3,0,1]=4 44 B15R3.3 c1ccn2cc3c(c2c1)CNCC3 Amb5736011 [0,0,0,0,0,0|2,0,0]=2 45 B15R3.3 c1ccn2nc3c(c2c1)CNCC3 Amb26504976 [0,0,0,0,0,0|1,0,1]=2 46 B15R3.3 c1cnc2c(c1)C3CCCCC3N2 Amb27960606 [0,0,0,0,0,0|2,0,2]=4 47 B15R3.3 c1cnc2nc3c(n2c1)COCC3 Amb27215214 [0,0,0,0,0,0|3,0,1]=4 48 B16R3.2264 CC12CCCCC1Nc3ccccc32 Amb27748397 [0,1,0,0,0,0|1,0,2]=4 49 B16R3.2264 C[C@@]12CCCC[C@@H]1Nc3ccccc32 Amb24511975 [0,1,0,0,0,0|1,0,2]=4 50 B16R3.2583 Brc1ccc2c(c1)C3CCCCC3N2 Amb18560749 [0,1,0,0,0,0|1,0,2]=4 51 B16R3.2583 Brc1ccc2c(c1)C3CCCCC3N2 Amb28653488 [0,1,0,0,0,0|1,0,2]=4 52 B16R3.2583 Brc1ccc2c(c1)[C@@H]3CCCC[C@@H]3N2 Amb26545390 [0,1,0,0,0,0|1,0,2]=4 53 B16R3.2583 Brc1ccc2c(c1)[C@@H]3CCCC[C@@H]3N2 Amb32652729 [0,1,0,0,0,0|1,0,2]=4 54 B16R3.2583 Brc1ccc2c(c1)[C@H]3CCCC[C@H]3N2 Amb25799137 [0,1,0,0,0,0|1,0,2]=4 55 B16R3.2583 Brc1ccc2nc3c(n2c1)CCCC3 Amb2224524 [0,1,0,0,0,0|2,0,1]=4 56 B16R3.2583 Brc1ccc2nc3c(n2c1)CNCC3 Amb18698877 [0,1,0,0,0,0|1,0,1]=3 57 B16R3.2583 Brc1ccc2nc3c(n2c1)CSCC3 Amb27600392 [0,1,0,0,0,0|2,0,1]=4 58 B16R3.2583 Brc1ccc2oc3c(c2c1)CCNC3 Amb18698906 [0,1,0,0,0,0|3,0,0]=4 59 B16R3.2583 CC1CC[C@H]2Nc3ccccc3[C@@H]2C1 Amb27441786 [0,1,0,0,0,0|1,0,2]=4 60 B16R3.2583 CN1CCc2nc3ccccn3c2C1 Amb27747883 [0,1,0,0,0,0|1,0,1]=3 61 B16R3.2583 Cc1ccc2c(c1)C3CNCC[C@H]3N2 Amb27985924 [0,1,0,0,0,0|0,0,2]=3 62 B16R3.2583 Cc1ccc2c(c1)C3COCCC3N2 Amb28251489 [0,1,0,0,0,0|1,0,2]=4 63 B16R3.2583 Cc1ccc2c(c1)[C@H]3CCCC[C@H]3N2 Amb28196321 [0,1,0,0,0,0|1,0,2]=4 64 B16R3.2583 Cc1ccc2nc3c(n2c1)CNCC3 Amb17074434 [0,1,0,0,0,0|1,0,1]=3 65 B16R3.2583 Cc1ccc2nc3c(n2c1)CSCC3 Amb27236293 [0,1,0,0,0,0|2,0,1]=4 66 B16R3.2583 Clc1ccc2c(c1)C3CNCCC3N2 Amb18063127 [0,1,0,0,0,0|0,0,2]=3 67 B16R3.2583 Clc1ccc2nc3c(n2c1)CNCC3 Amb18264871 [0,1,0,0,0,0|1,0,1]=3 68 B16R3.2583 Clc1ccc2nc3c(n2c1)COCC3 Amb28073824 [0,1,0,0,0,0|2,0,1]=4 69 B16R3.2583 Clc1ccc2oc3c(c2c1)CNCC3 Amb24453878 [0,1,0,0,0,0|1,0,0]=2 70 B16R3.2583 Fc1ccc2c(c1)C3CNCC[C@H]3N2 Amb27412337 [0,1,0,0,0,0|0,0,2]=3 71 B16R3.2583 Fc1ccc2nc3c(n2c1)COCC3 Amb27883528 [0,1,0,0,0,0|2,0,1]=4 72 B16R3.2583 Fc1ccc2sc3c(c2c1)CCNC3 Amb28280879 [0,1,0,0,0,0|3,0,0]=4 73 B16R3.2583 NC1CCC2Nc3ccccc3C2C1 Amb27246761 [0,1,0,0,0,0|1,0,2]=4 74 B16R3.2583 NC1CCc2cc3ccccc3n2C1 Amb27858859 [0,1,0,0,0,0|3,0,0]=4 75 B16R3.2583 Nc1ccc2nc3c(n2c1)CCCC3 Amb17041392 [0,1,0,0,0,0|2,0,1]=4 76 B16R3.2583 Nc1ccc2oc3c(c2c1)CCCC3 Amb6315823 [0,1,0,0,0,0|2,0,0]=3 77 B16R3.2583 Nc1ccc2oc3c(c2c1)CCCC3 Amb6872192 [0,1,0,0,0,0|2,0,0]=3 78 B16R3.2583 O=C1CCc2cn3ccccc3c2C1 Amb27225004 [0,1,0,0,0,0|3,0,0]=4 79 B16R3.2583 OC1CCc2cc3ccccc3n2C1 Amb28400784 [0,1,0,0,0,0|3,0,0]=4 80 B16R3.2583 OC1CCc2nc3ccccc3n2C1 Amb26410363 [0,1,0,0,0,0|2,0,1]=4 81 B16R3.2583 O[C@@H]1CCc2cc3ccccc3n2C1 Amb27835062 [0,1,0,0,0,0|3,0,0]=4 82 B16R3.2583 Oc1ccc2oc3c(c2c1)CCCC3 Amb1152694 [0,1,0,0,0,0|2,0,0]=3 83 B16R3.2637 Brc1ccc2c(c1)C=C3CCCCC32 Amb28428143 [0,1,0,0,0,0|2,0,1]=4 84 B16R3.2637 Brc1ccc2c3c(oc2c1)CNCC3 Amb18698907 [0,1,0,0,0,0|3,0,0]=4 85 B16R3.2637 CC1CCC2c3ccccc3NC2C1 Amb27407791 [0,1,0,0,0,0|1,0,2]=4 86 B16R3.2637 CC1CC[C@H]2c3ccccc3N[C@H]2C1 Amb27633158 [0,1,0,0,0,0|1,0,2]=4 87 B16R3.2637 CC1CCn2c(nc3ccccc32)C1 Amb9775235 [0,1,0,0,0,0|2,0,1]=4 88 B16R3.2637 CC1CN2Cc3ccccc3C2CN1 Amb27251540 [0,1,0,0,0,0|2,0,1]=4 89 B16R3.2637 CC1Cc2cn3ccccc3c2CN1 Amb5736013 [0,1,0,0,0,0|2,0,0]=3 90 B16R3.2637 Cc1ccc2c(c1)nc3n2CCCC3 Amb23452439 [0,1,0,0,0,0|2,0,1]=4 91 B16R3.2637 Cc1ccn2c3c(nc2c1)CCCC3 Amb25758282 [0,1,0,0,0,0|2,0,1]=4 92 B16R3.2637 Cc1ccn2c3c(nc2c1)CCNC3 Amb17074435 [0,1,0,0,0,0|1,0,1]=3 93 B16R3.2637 Cc1ccn2c3c(nc2c1)CCSC3 Amb28128893 [0,1,0,0,0,0|2,0,1]=4 94 B16R3.2637 Clc1ccc2c(c1)NC3CCCCN23 Amb27643603 [0,1,0,0,0,0|2,0,1]=4 95 B16R3.2637 Clc1ccc2c(c1)nc3n2CCCC3 Amb22464693 [0,1,0,0,0,0|2,0,1]=4 96 B16R3.2637 Fc1ccc2c(c1)NC3CCCCC23 Amb27872743 [0,1,0,0,0,0|1,0,2]=4 97 B16R3.2637 Nc1ccc2c(c1)NC3CCCCC23 Amb2438594 [0,1,0,0,0,0|1,0,2]=4 98 B16R3.2637 Nc1ccc2c(c1)N[C@H]3CCCC[C@@H]23 Amb28436085 [0,1,0,0,0,0|1,0,2]=4 99 B16R3.2637 Nc1ccc2c(c1)cc3n2CCCC3 Amb27467329 [0,1,0,0,0,0|3,0,0]=4 100 B16R3.2637 Nc1ccc2c(c1)nc3n2CCCC3 Amb6479236 [0,1,0,0,0,0|2,0,1]=4 101 B16R3.2637 Nc1ccc2c3c(oc2c1)CC=CC3 Amb28056061 [0,1,0,0,0,0|2,0,1]=4 102 B16R3.2637 Nc1ccn2c3c(nc2c1)CCCC3 Amb27189564 [0,1,0,0,0,0|2,0,1]=4 103 B16R3.2637 Oc1ccc2c(c1)CN3CCNCC23 Amb27591661 [0,1,0,0,0,0|2,0,1]=4 104 B16R3.2637 S=C1N=C2Nc3ccccc3C2=NN1 Amb19747682 [0,1,0,0,0,0|2,0,1]=4 105 B16R3.3329 BrC1CCCc2c1sc3ccccc23 Amb27258888 [0,1,0,0,0,0|2,0,0]=3 106 B16R3.3329 Brc1cccc2c1NC3CCNCC23 Amb18560782 [0,1,0,0,0,0|0,0,2]=3 107 B16R3.3329 Brc1cccc2c1NC3CCOCC23 Amb27202020 [0,1,0,0,0,0|1,0,2]=4 108 B16R3.3329 Brc1cccc2c1NC3CCSCC23 Amb27777608 [0,1,0,0,0,0|1,0,2]=4 109 B16R3.3329 Brc1cccc2c1N[C@H]3CCNC[C@@H]23 Amb30869526 [0,1,0,0,0,0|0,0,2]=3 110 B16R3.3329 Brc1cccc2c1N[C@H]3CCNC[C@@H]23 Amb31307950 [0,1,0,0,0,0|0,0,2]=3 111 B16R3.3329 Brc1cccc2c3c(sc12)CNCC3 Amb27480894 [0,1,0,0,0,0|3,0,0]=4 112 B16R3.3329 Brc1cccn2c3c(nc12)CCOC3 Amb27236621 [0,1,0,0,0,0|2,0,1]=4 113 B16R3.3329 CC1CCCC2c3ccccc3NC12 Amb27831091 [0,1,0,0,0,0|1,0,2]=4 114 B16R3.3329 CC1CCCc2c1nc3ccccn23 Amb27588208 [0,1,0,0,0,0|2,0,1]=4 115 B16R3.3329 CC1CNCc2c1oc3ccccc23 Amb10596183 [0,1,0,0,0,0|1,0,0]=2 116 B16R3.3329 C[C@@H]1NCCc2c1sc3ccccc23 Amb28074159 [0,1,0,0,0,0|3,0,0]=4 117 B16R3.3329 Cc1cccc2c1NC3CCCCC23 Amb18560756 [0,1,0,0,0,0|1,0,2]=4 118 B16R3.3329 Cc1cccc2c1NC3CCSCC23 Amb27964197 [0,1,0,0,0,0|1,0,2]=4 119 B16R3.3329 Cc1cccc2c1N[C@H]3CCCC[C@@H]23 Amb27788098 [0,1,0,0,0,0|1,0,2]=4 120 B16R3.3329 Cc1cccn2c3c(nc12)CCNC3 Amb17074436 [0,1,0,0,0,0|1,0,1]=3 121 B16R3.3329 Cc1cccn2c3c(nc12)CCSC3 Amb27596495 [0,1,0,0,0,0|2,0,1]=4 122 B16R3.3329 Clc1cccn2c3c(nc12)CCCC3 Amb27165302 [0,1,0,0,0,0|2,0,1]=4 123 B16R3.3329 Clc1cccn2c3c(nc12)CCNC3 Amb18264539 [0,1,0,0,0,0|1,0,1]=3 124 B16R3.3329 Fc1cccc2c1NC3CCOCC23 Amb27864304 [0,1,0,0,0,0|1,0,2]=4 125 B16R3.3329 Fc1cccc2c1NC3CCSCC23 Amb27202096 [0,1,0,0,0,0|1,0,2]=4 126 B16R3.3329 NC1CCCn2c1cc3ccccc32 Amb18821906 [0,1,0,0,0,0|3,0,0]=4 127 B16R3.3329 NC1CCCn2c1nc3ccccc32 Amb18821404 [0,1,0,0,0,0|2,0,1]=4 128 B16R3.3329 Nc1cccc2c1nc3n2CCCC3 Amb24498062 [0,1,0,0,0,0|2,0,1]=4 129 B16R3.3329 Nc1cccc2c3c(oc12)CCCC3 Amb21955247 [0,1,0,0,0,0|2,0,0]=3 130 B16R3.3329 Nc1cccc2c3c(oc12)CCCC3 Amb2721776 [0,1,0,0,0,0|2,0,0]=3 131 B16R3.3329 Nc1cccn2c3c(nc12)CCCC3 Amb25045620 [0,1,0,0,0,0|2,0,1]=4 132 B16R3.3329 O=C1CCCc2c1sc3ccccc23 Amb20622624 [0,1,0,0,0,0|2,0,1]=4 133 B16R3.3329 O[C@H]1CCCn2c1nc3ccccc32 Amb27805328 [0,1,0,0,0,0|2,0,1]=4 134 B16R3.3329 Oc1cccc2c3c(oc12)CCCC3 Amb2637503 [0,1,0,0,0,0|2,0,0]=3 135 B16R3.12632 C[C@]12CCCC[C@@H]1c3ccccc3N2 Amb28251030 [0,1,0,0,0,0|1,0,2]=4 136 B16R3.20606 CN1C2=NCCCN2c3ccccc31 Amb17916492 [0,1,0,0,0,0|3,0,0]=4 137 B16R3.20606 CN1c2ccccc2C3CNCCC31 Amb18137509 [0,1,0,0,0,0|0,0,2]=3 138 B16R3.20606 CN1c2ccccc2C3CNCCC31 Amb32410662 [0,1,0,0,0,0|0,0,2]=3 139 B16R3.20606 Cn1c2c(c3ccccc31)CCCC2 Amb4040725 [0,1,0,0,0,0|1,0,0]=2 140 B16R3.20606 Cn1c2c(c3ccccc31)CCNC2 Amb18821915 [0,1,0,0,0,0|2,0,0]=3 141 B16R3.20606 Cn1c2c(c3ccccc31)CNCC2 Amb6336961 [0,1,0,0,0,0|0,0,0]=1 142 B16R3.20606 Cn1c2c(c3cccnc31)CCNC2 Amb28137887 [0,1,0,0,0,0|3,0,0]=4 143 B16R3.20606 Nc1c2n(c3ccccc13)CCCC2 Amb18821916 [0,1,0,0,0,0|3,0,0]=4 144 B16R3.20606 O=C1C2=C(CCNC2)c3ccccc31 Amb27249556 [0,1,0,0,0,0|3,0,0]=4 145 B16R3.20606 O=C1c2ccccc2C3CNCCC13 Amb28252240 [0,1,0,0,0,0|1,0,2]=4 146 B16R3.20606 O=C1c2ccccc2C3CNCCN13 Amb18559314 [0,1,0,0,0,0|2,0,1]=4 147 B16R3.20606 O=C1c2ccccc2C3CNCCN13 Amb33718946 [0,1,0,0,0,0|2,0,1]=4 148 B16R3.20606 O=C1c2ccccc2[C@H]3CNCCN13 Amb27957157 [0,1,0,0,0,0|2,0,1]=4 149 B16R3.20606 OC1c2ccccc2C3CNCCC13 Amb27749161 [0,1,0,0,0,0|1,0,2]=4 150 B16R3.27838 CC1CCCc2nc3ccccc3n21 Amb23492173 [0,1,0,0,0,0|2,0,1]=4 151 B16R3.27838 CC1NCCN2Cc3ccccc3C12 Amb18650018 [0,1,0,0,0,0|2,0,1]=4 152 B16R3.27838 CC1NCCc2cn3ccccc3c21 Amb5736015 [0,1,0,0,0,0|2,0,0]=3 153 B16R3.27838 CC1NCCc2nc3ccccc3n21 Amb27751899 [0,1,0,0,0,0|1,0,1]=3 154 B16R3.27838 CC1NCCc2nc3ccccn3c21 Amb18821403 [0,1,0,0,0,0|1,0,1]=3 155 B16R3.27838 Cc1cccc2nc3c(n12)CCCC3 Amb26908606 [0,1,0,0,0,0|2,0,1]=4 156 B16R3.27838 Cc1cccc2nc3c(n12)CNCC3 Amb17074433 [0,1,0,0,0,0|1,0,1]=3 157 B16R3.27838 Cc1cccc2nc3c(n12)COCC3 Amb27785969 [0,1,0,0,0,0|2,0,1]=4 158 B16R3.27838 Clc1cccc2nc3c(n12)CNCC3 Amb18106576 [0,1,0,0,0,0|1,0,1]=3 159 B16R3.27838 Clc1cccc2nc3n(c12)CCCC3 Amb23492160 [0,1,0,0,0,0|2,0,1]=4 160 B16R3.27838 Fc1cccc2c1C3CSCCC3N2 Amb27211138 [0,1,0,0,0,0|1,0,2]=4 161 B16R3.27838 NC1CCCC2Nc3ccccc3C12 Amb27387827 [0,1,0,0,0,0|1,0,2]=4 162 B16R3.27838 N[C@H]1CCC[C@@H]2Nc3ccccc3[C@H]12 Amb28051932 [0,1,0,0,0,0|1,0,2]=4 163 B16R3.27838 Nc1cccc2nc3n(c12)CCCC3 Amb24634181 [0,1,0,0,0,0|2,0,1]=4 164 B16R3.27838 O=C1CCCc2oc3ccccc3c21 Amb24409519 [0,1,0,0,0,0|2,0,1]=4 165 B16R3.27838 O=C1CCCc2sc3ccccc3c21 Amb27181980 [0,1,0,0,0,0|2,0,1]=4 166 B16R3.27838 O=C1NCCc2cc3ccccc3n21 Amb27599981 [0,1,0,0,0,0|2,0,1]=4 167 B16R3.27838 O=C1NCCc2nc3ccccc3n21 Amb27957901 [0,1,0,0,0,0|1,0,2]=4 168 B16R3.27838 O=C1NCCc2sc3ccccc3c21 Amb28428429 [0,1,0,0,0,0|1,0,1]=3 169 B16R3.27838 O=C1NCCn2nc3ccccc3c21 Amb25054759 [0,1,0,0,0,0|1,0,2]=4 170 B16R3.27838 S=C1NCCc2nc3ccccc3n21 Amb21952764 [0,1,0,0,0,0|1,0,2]=4 171 B14R2.3 BrCCCc1csc2ccccc12 Amb26353125 [0,0,1,0,0,0|3,0,0]=4 172 B14R2.3 CCCCC1CNc2ccccc21 Amb27830325 [0,0,1,0,0,0|1,0,2]=4 173 B14R2.3 CCCCn1cnc2ccccc21 Amb1744547 [0,0,1,0,0,0|2,0,1]=4 174 B14R2.3 CCCNc1csc2ccccc12 Amb27186106 [0,0,1,0,0,0|3,0,0]=4 175 B14R2.3 CCNCC1CNc2ccccc21 Amb27585478 [0,0,1,0,0,0|0,0,2]=3 176 B14R2.3 CCNCc1cnc2ccccn12 Amb22713604 [0,0,1,0,0,0|1,0,1]=3 177 B14R2.3 CCNCc1cnn2ccccc12 Amb25693835 [0,0,1,0,0,0|1,0,1]=3 178 B14R2.3 CCNCc1cnn2ccncc12 Amb27465511 [0,0,1,0,0,0|2,0,1]=4 179 B14R2.3 CCNCc1coc2ccccc12 Amb19649832 [0,0,1,0,0,0|1,0,0]=2 180 B14R2.3 CCNCc1csc2ccccc12 Amb18994544 [0,0,1,0,0,0|1,0,0]=2 181 B14R2.3 CCOCc1coc2ccccc12 Amb27193439 [0,0,1,0,0,0|2,0,0]=3 182 B14R2.3 CCOCn1ccc2ccccc21 Amb27978166 [0,0,1,0,0,0|3,0,0]=4 183 B14R2.3 CCOCn1cnc2ccccc21 Amb25065187 [0,0,1,0,0,0|2,0,1]=4 184 B14R2.3 CNCCc1csc2ccccc12 Amb18129924 [0,0,1,0,0,0|3,0,0]=4 185 B14R2.3 CONCc1cnc2ccccn12 Amb28063602 [0,0,1,0,0,0|2,0,1]=4 186 B14R2.3 CONCc1csc2ccccc12 Amb28205550 [0,0,1,0,0,0|2,0,0]=3 187 B14R2.3 ClCCCc1coc2ccccc12 Amb35704102 [0,0,1,0,0,0|3,0,0]=4 188 B14R2.3 ClCCCc1csc2ccccc12 Amb28193411 [0,0,1,0,0,0|3,0,0]=4 189 B14R2.3 NCCCc1csc2ccccc12 Amb18910203 [0,0,1,0,0,0|3,0,0]=4 190 B14R2.3 O=C\C=C\c1csc2c1CCCC2 Amb33271513 [0,0,1,0,0,0|3,0,0]=4 191 B14R2.3 OCCCc1coc2ccccc12 Amb25898468 [0,0,1,0,0,0|3,0,0]=4 192 B14R2.3 OCCCc1csc2ccccc12 Amb25138282 [0,0,1,0,0,0|3,0,0]=4 193 B14R2.3 SCCCc1coc2ccccc12 Amb27196744 [0,0,1,0,0,0|3,0,0]=4 194 B14R2.3 SCCCc1csc2ccccc12 Amb24405823 [0,0,1,0,0,0|3,0,0]=4 195 B14R2.6 C(=C1CCCCC1)c2ccccc2 Amb4035202 [0,0,1,0,0,0|2,0,1]=4 196 B14R2.6 C(=C1CCNCC1)c2ccccc2 Amb20622494 [0,0,1,0,0,0|1,0,1]=3 197 B14R2.6 C(=C1CCNCC1)c2ccccc2 Amb32412174 [0,0,1,0,0,0|1,0,1]=3 198 B14R2.6 C(=C1CCNCC1)c2ccccn2 Amb31094207 [0,0,1,0,0,0|2,0,1]=4 199 B14R2.6 C(=C1CCNCC1)c2cccnc2 Amb26906079 [0,0,1,0,0,0|2,0,1]=4 200 B14R2.6 C(=C1CCNCC1)c2ccncc2 Amb25088756 [0,0,1,0,0,0|2,0,1]=4 201 B14R2.6 C1=C(Oc2ccccc2)CCCC1 Amb27495638 [0,0,1,0,0,0|2,0,0]=3 202 B14R2.6 C1=C(Sc2ccccc2)CCNC1 Amb27265950 [0,0,1,0,0,0|1,0,0]=2 203 B14R2.6 C1=CC(Nc2ccccc2)CCC1 Amb27229969 [0,0,1,0,0,0|1,0,2]=4 204 B14R2.6 C1=C[C@H](Nc2ccccc2)CCC1 Amb27210905 [0,0,1,0,0,0|1,0,2]=4 205 B14R2.6 c1cc(NC2CCNCC2)ccn1 Amb6262500 [0,0,1,0,0,0|1,0,2]=4 206 B14R2.6 c1ccc(CC2CCNCC2)cc1 Amb20248128 [0,0,1,0,0,0|1,0,2]=4 207 B14R2.6 c1ccc(CC2CCNCC2)cc1 Amb2792831 [0,0,1,0,0,0|1,0,2]=4 208 B14R2.6 c1ccc(CN2CCNCC2)cc1 Amb2719970 [0,0,1,0,0,0|2,0,1]=4 209 B14R2.6 c1ccc(CN2CCNCC2)cc1 Amb33528145 [0,0,1,0,0,0|2,0,1]=4 210 B14R2.6 c1ccc(CN2CCNCC2)cc1 Amb8629276 [0,0,1,0,0,0|2,0,1]=4 211 B14R2.6 c1ccc(N=C2CCCCC2)cc1 Amb28247935 [0,0,1,0,0,0|1,0,2]=4 212 B14R2.6 c1ccc(NC2=NCCCS2)cc1 Amb1103919 [0,0,1,0,0,0|3,0,0]=4 213 B14R2.6 c1ccc(NC2CCCCC2)cc1 Amb2725530 [0,0,1,0,0,0|1,0,2]=4 214 B14R2.6 c1ccc(NC2CCCCC2)cc1 Amb2725642 [0,0,1,0,0,0|1,0,2]=4 215 B14R2.6 c1ccc(NC2CCNCC2)cc1 Amb10609405 [0,0,1,0,0,0|0,0,2]=3 216 B14R2.6 c1ccc(NC2CCNCC2)cc1 Amb10609441 [0,0,1,0,0,0|0,0,2]=3 217 B14R2.6 c1ccc(NC2CCNCC2)cc1 Amb2693972 [0,0,1,0,0,0|0,0,2]=3 218 B14R2.6 c1ccc(NC2CCNCC2)nc1 Amb10598816 [0,0,1,0,0,0|1,0,2]=4 219 B14R2.6 c1ccc(NC2CCNCC2)nc1 Amb10609841 [0,0,1,0,0,0|1,0,2]=4 220 B14R2.6 c1ccc(NC2CCNCC2)nc1 Amb33532844 [0,0,1,0,0,0|1,0,2]=4 221 B14R2.6 c1ccc(NC2CCOCC2)cc1 Amb9472301 [0,0,1,0,0,0|1,0,2]=4 222 B14R2.6 c1ccc(NC2CCSCC2)cc1 Amb21988475 [0,0,1,0,0,0|1,0,2]=4 223 B14R2.6 c1ccc(NC2CCSCC2)cc1 Amb9372005 [0,0,1,0,0,0|1,0,2]=4 224 B14R2.6 c1ccc(NN2CCCCC2)cc1 Amb10558568 [0,0,1,0,0,0|2,0,1]=4 225 B14R2.6 c1ccc(NN2CCOCC2)cc1 Amb24053906 [0,0,1,0,0,0|2,0,1]=4 226 B14R2.6 c1ccc(NN2CCSCC2)cc1 Amb28326202 [0,0,1,0,0,0|2,0,1]=4 227 B14R2.6 c1ccc(OC2CCNCC2)cc1 Amb2383152 [0,0,1,0,0,0|1,0,2]=4 228 B14R2.6 c1ccc(OC2CCNCC2)cc1 Amb6892786 [0,0,1,0,0,0|1,0,2]=4 229 B14R2.6 c1ccc(SC2CCNCC2)cc1 Amb10068837 [0,0,1,0,0,0|1,0,2]=4 230 B14R2.6 c1ccc(SC2CCNCC2)cc1 Amb18955366 [0,0,1,0,0,0|1,0,2]=4 231 B14R2.6 c1cncc(NC2CCNCC2)c1 Amb13952495 [0,0,1,0,0,0|1,0,2]=4 232 B14R2.6 c1cncc(NC2CCNCC2)c1 Amb22058875 [0,0,1,0,0,0|1,0,2]=4 233 B14R2.6 c1cncc(NC2CCNCC2)c1 Amb32664698 [0,0,1,0,0,0|1,0,2]=4 234 B14R2.24 Brc1ccccc1C2=CCCCC2 Amb27669461 [0,0,1,0,0,0|2,0,0]=3 235 B14R2.24 Brc1ccccc1C2CCCNC2 Amb18731584 [0,0,1,0,0,0|1,0,2]=4 236 B14R2.24 Brc1ccccc1C2CNCCN2 Amb19887466 [0,0,1,0,0,0|2,0,1]=4 237 B14R2.24 Brc1ccccc1C2CNCCO2 Amb33545965 [0,0,1,0,0,0|2,0,1]=4 238 B14R2.24 Brc1ccccc1C2CNCCO2 Amb34914108 [0,0,1,0,0,0|2,0,1]=4 239 B14R2.24 CC1=C(c2ccccc2)CCNC1 Amb27415524 [0,0,1,0,0,0|3,0,0]=4 240 B14R2.24 CC1=C(c2ccncc2)CNCC1 Amb28128789 [0,0,1,0,0,0|2,0,0]=3 241 B14R2.24 CC1=C(c2cncnc2)CNCC1 Amb28145595 [0,0,1,0,0,0|3,0,0]=4 242 B14R2.24 CC1CCNCC1c2ccccc2 Amb26855487 [0,0,1,0,0,0|1,0,2]=4 243 B14R2.24 CC1CCNCC1c2ccccc2 Amb30051609 [0,0,1,0,0,0|1,0,2]=4 244 B14R2.24 CC1CCNN=C1c2ccccc2 Amb27405017 [0,0,1,0,0,0|2,0,1]=4 245 B14R2.24 CN1CCNCC1c2ccccc2 Amb21954179 [0,0,1,0,0,0|2,0,1]=4 246 B14R2.24 CN1CCNCC1c2ccccc2 Amb22586681 [0,0,1,0,0,0|2,0,1]=4 247 B14R2.24 CN1CCNCC1c2ccccc2 Amb3941171 [0,0,1,0,0,0|2,0,1]=4 248 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682441 [0,0,1,0,0,0|1,0,2]=4 249 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682462 [0,0,1,0,0,0|1,0,2]=4 250 B14R2.24 Cc1ccccc1C2=CCCCC2 Amb4020561 [0,0,1,0,0,0|2,0,0]=3 251 B14R2.24 Cc1ccccc1C2=CCNCC2 Amb29744263 [0,0,1,0,0,0|3,0,0]=4 252 B14R2.24 Cc1ccccc1C2=CCNCC2 Amb6667319 [0,0,1,0,0,0|3,0,0]=4 253 B14R2.24 Cc1ccccc1C2=CCOCC2 Amb33077271 [0,0,1,0,0,0|3,0,0]=4 254 B14R2.24 Cc1ccccc1C2CCCNC2 Amb22586779 [0,0,1,0,0,0|1,0,2]=4 255 B14R2.24 Cc1ccccc1C2CCCNC2 Amb3941198 [0,0,1,0,0,0|1,0,2]=4 256 B14R2.24 Cc1ccccc1C2CNCCN2 Amb25062517 [0,0,1,0,0,0|2,0,1]=4 257 B14R2.24 Cc1ccccc1C2CNCCN2 Amb30445886 [0,0,1,0,0,0|2,0,1]=4 258 B14R2.24 Cc1ccccc1C2CNCCO2 Amb34914106 [0,0,1,0,0,0|2,0,1]=4 259 B14R2.24 Cc1ccccc1C2CNCCO2 Amb5750917 [0,0,1,0,0,0|2,0,1]=4 260 B14R2.24 Cc1ccccc1C2CNCCS2 Amb17235833 [0,0,1,0,0,0|2,0,1]=4 261 B14R2.24 Cc1ccccc1[C@@H]2CNCCN2 Amb27759909 [0,0,1,0,0,0|2,0,1]=4 262 B14R2.24 Cc1ccccc1[C@H]2CNCCN2 Amb28437280 [0,0,1,0,0,0|2,0,1]=4 263 B14R2.24 Cc1cccnc1C2=CCCNC2 Amb28242996 [0,0,1,0,0,0|2,0,0]=3 264 B14R2.24 Cc1ccncc1C2=CCCNC2 Amb27250295 [0,0,1,0,0,0|2,0,0]=3 265 B14R2.24 Cc1cnccc1C2=CCCNC2 Amb27188366 [0,0,1,0,0,0|2,0,0]=3 266 B14R2.24 Clc1ccccc1C2=CCCCC2 Amb25189712 [0,0,1,0,0,0|2,0,0]=3 267 B14R2.24 Clc1ccccc1C2=CCCNC2 Amb27233613 [0,0,1,0,0,0|1,0,0]=2 268 B14R2.24 Clc1ccccc1C2=CCNCC2 Amb29744333 [0,0,1,0,0,0|3,0,0]=4 269 B14R2.24 Clc1ccccc1C2=CCNCC2 Amb6667292 [0,0,1,0,0,0|3,0,0]=4 270 B14R2.24 Clc1ccccc1C2CCCNC2 Amb8009561 [0,0,1,0,0,0|1,0,2]=4 271 B14R2.24 Clc1ccccc1C2CNCCN2 Amb19887469 [0,0,1,0,0,0|2,0,1]=4 272 B14R2.24 Clc1ccccc1C2CNCCN2 Amb33991332 [0,0,1,0,0,0|2,0,1]=4 273 B14R2.24 Clc1ccccc1C2CNCCO2 Amb10068841 [0,0,1,0,0,0|2,0,1]=4 274 B14R2.24 Clc1ccccc1C2CNCCO2 Amb33545808 [0,0,1,0,0,0|2,0,1]=4 275 B14R2.24 Clc1ccccc1C2CNCCS2 Amb10068813 [0,0,1,0,0,0|2,0,1]=4 276 B14R2.24 Clc1ccccc1C2CNCCS2 Amb3940992 [0,0,1,0,0,0|2,0,1]=4 277 B14R2.24 Clc1ccccc1[C@@H]2CNCCN2 Amb27391162 [0,0,1,0,0,0|2,0,1]=4 278 B14R2.24 Clc1ccccc1[C@H]2CCCNC2 Amb28312944 [0,0,1,0,0,0|1,0,2]=4 279 B14R2.24 Fc1ccccc1C2=CCCNC2 Amb27668554 [0,0,1,0,0,0|1,0,0]=2 280 B14R2.24 Fc1ccccc1C2=CCNCC2 Amb6667302 [0,0,1,0,0,0|3,0,0]=4 281 B14R2.24 Fc1ccccc1C2CCCNC2 Amb21954350 [0,0,1,0,0,0|1,0,2]=4 282 B14R2.24 Fc1ccccc1C2CCCNC2 Amb8009558 [0,0,1,0,0,0|1,0,2]=4 283 B14R2.24 Fc1ccccc1C2CNCCN2 Amb19887468 [0,0,1,0,0,0|2,0,1]=4 284 B14R2.24 Fc1ccccc1C2CNCCN2 Amb32671434 [0,0,1,0,0,0|2,0,1]=4 285 B14R2.24 Fc1ccccc1C2CNCCO2 Amb5750920 [0,0,1,0,0,0|2,0,1]=4 286 B14R2.24 Fc1ccccc1C2CNCCS2 Amb17236629 [0,0,1,0,0,0|2,0,1]=4 287 B14R2.24 Fc1ccccc1[C@@H]2CNCCN2 Amb24182086 [0,0,1,0,0,0|2,0,1]=4 288 B14R2.24 Fc1ccccc1[C@H]2CCCNC2 Amb28134066 [0,0,1,0,0,0|1,0,2]=4 289 B14R2.24 Ic1ccccc1C2CNCCN2 Amb27800826 [0,0,1,0,0,0|2,0,1]=4 290 B14R2.24 NC1CCCCC1c2ccccc2 Amb33553374 [0,0,1,0,0,0|1,0,2]=4 291 B14R2.24 NC1CCCCC1c2ccccc2 Amb9620845 [0,0,1,0,0,0|1,0,2]=4 292 B14R2.24 NC1CCNCC1c2ccccc2 Amb24398671 [0,0,1,0,0,0|0,0,2]=3 293 B14R2.24 NC1CCOCC1c2ccccc2 Amb27199871 [0,0,1,0,0,0|1,0,2]=4 294 B14R2.24 NN1CCCCC1c2ccccc2 Amb25755123 [0,0,1,0,0,0|2,0,1]=4 295 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Amb22757825 [0,0,1,0,0,0|1,0,2]=4 296 B14R2.24 N[C@H]1CCCC[C@@H]1c2ccccc2 Amb27659258 [0,0,1,0,0,0|1,0,2]=4 297 B14R2.24 Nc1ccccc1C2=CCCCO2 Amb27775283 [0,0,1,0,0,0|2,0,0]=3 298 B14R2.24 Nc1ccccc1C2=CCNCC2 Amb27972135 [0,0,1,0,0,0|2,0,0]=3 299 B14R2.24 Nc1ccccc1C2C=CCCC2 Amb18647762 [0,0,1,0,0,0|1,0,2]=4 300 B14R2.24 Nc1ccccc1C2CCCCC2 Amb17107000 [0,0,1,0,0,0|1,0,2]=4 301 B14R2.24 Nc1ccccc1C2CCCCC2 Amb33473705 [0,0,1,0,0,0|1,0,2]=4 302 B14R2.24 Nc1ccccc1C2CCCCN2 Amb25865831 [0,0,1,0,0,0|2,0,1]=4 303 B14R2.24 Nc1ccccc1C2CCCNC2 Amb24321329 [0,0,1,0,0,0|0,0,2]=3 304 B14R2.24 Nc1ccccc1C2CCCOC2 Amb20617126 [0,0,1,0,0,0|1,0,2]=4 305 B14R2.24 Nc1ccccc1C2CNCCN2 Amb28121850 [0,0,1,0,0,0|1,0,1]=3 306 B14R2.24 Nc1ccccc1C2CNCCO2 Amb27468617 [0,0,1,0,0,0|1,0,1]=3 307 B14R2.24 Nc1ccccc1N2CCCCC2 Amb1198496 [0,0,1,0,0,0|2,0,1]=4 308 B14R2.24 Nc1ccccc1[C@H]2CNCCN2 Amb27168696 [0,0,1,0,0,0|1,0,1]=3 309 B14R2.24 Nc1ccccc1[C@H]2COCCN2 Amb27261609 [0,0,1,0,0,0|2,0,1]=4 310 B14R2.24 Nc1cccnc1C2=CCCCC2 Amb27618438 [0,0,1,0,0,0|2,0,0]=3 311 B14R2.24 Nc1cccnc1C2CCCNC2 Amb28186062 [0,0,1,0,0,0|1,0,2]=4 312 B14R2.24 Nc1cccnc1C2CNCCN2 Amb27481465 [0,0,1,0,0,0|2,0,1]=4 313 B14R2.24 Nc1ccncc1C2CCCNC2 Amb24322563 [0,0,1,0,0,0|1,0,2]=4 314 B14R2.24 Nc1cnccc1C2=CCNCC2 Amb32677223 [0,0,1,0,0,0|3,0,0]=4 315 B14R2.24 Nc1cnccc1C2CCCNC2 Amb24322564 [0,0,1,0,0,0|1,0,2]=4 316 B14R2.24 Nc1cnccc1C2CNCCN2 Amb27614212 [0,0,1,0,0,0|2,0,1]=4 317 B14R2.24 Nc1cnccc1[C@@H]2CNCCN2 Amb28200912 [0,0,1,0,0,0|2,0,1]=4 318 B14R2.24 Nc1ncccc1C2=CCOCC2 Amb27179277 [0,0,1,0,0,0|3,0,0]=4 319 B14R2.24 Nc1ncccc1C2=NCCCC2 Amb23445322 [0,0,1,0,0,0|3,0,0]=4 320 B14R2.24 Nc1ncccc1C2CCCNC2 Amb24322561 [0,0,1,0,0,0|1,0,2]=4 321 B14R2.24 Nc1ncccc1[C@@H]2CNCCN2 Amb27760041 [0,0,1,0,0,0|2,0,1]=4 322 B14R2.24 Nc1ncccc1[C@H]2CCCNC2 Amb27203121 [0,0,1,0,0,0|1,0,2]=4 323 B14R2.24 Nc1ncccc1[C@H]2CNCCN2 Amb27595664 [0,0,1,0,0,0|2,0,1]=4 324 B14R2.24 O=C1CCCC=C1c2ccccc2 Amb8439756 [0,0,1,0,0,0|2,0,1]=4 325 B14R2.24 O=C1CCCCC1c2ccccc2 Amb1229912 [0,0,1,0,0,0|2,0,1]=4 326 B14R2.24 O=C1CCCCN1c2ccccc2 Amb17233112 [0,0,1,0,0,0|3,0,0]=4 327 B14R2.24 O=C1CCCC[C@@H]1c2ccccc2 Amb27878571 [0,0,1,0,0,0|2,0,1]=4 328 B14R2.24 O=C1CCCC[C@H]1c2ccccc2 Amb8384672 [0,0,1,0,0,0|2,0,1]=4 329 B14R2.24 O=C1CCNCC1c2ccccc2 Amb18197173 [0,0,1,0,0,0|1,0,1]=3 330 B14R2.24 O=C1CCNCC1c2ccccn2 Amb18196704 [0,0,1,0,0,0|2,0,1]=4 331 B14R2.24 O=C1CCNCC1c2cccnc2 Amb18196703 [0,0,1,0,0,0|2,0,1]=4 332 B14R2.24 O=C1CCNCC1c2ccncc2 Amb18196702 [0,0,1,0,0,0|2,0,1]=4 333 B14R2.24 O=C1CCOCC1c2ccccc2 Amb19889902 [0,0,1,0,0,0|2,0,1]=4 334 B14R2.24 O=S1CCNCC1c2ccccc2 Amb18864028 [0,0,1,0,0,0|2,0,1]=4 335 B14R2.24 O=S1CCNC[C@H]1c2ccccc2 Amb27643356 [0,0,1,0,0,0|2,0,1]=4 336 B14R2.24 OC1CCNCC1c2ccccc2 Amb26376883 [0,0,1,0,0,0|1,0,2]=4 337 B14R2.24 Oc1ccccc1C2=CCCCC2 Amb23441393 [0,0,1,0,0,0|2,0,0]=3 338 B14R2.24 Oc1ccccc1C2=CCCNC2 Amb35751240 [0,0,1,0,0,0|1,0,0]=2 339 B14R2.24 Oc1ccccc1C2CCCNC2 Amb18062872 [0,0,1,0,0,0|1,0,2]=4 340 B14R2.24 Oc1ccccc1C2CNCCO2 Amb26961758 [0,0,1,0,0,0|2,0,1]=4 341 B14R2.24 Oc1ccccc1[C@@H]2CNCCN2 Amb27469645 [0,0,1,0,0,0|2,0,1]=4 342 B14R2.24 Oc1ccccc1[C@H]2CCCNC2 Amb27493083 [0,0,1,0,0,0|1,0,2]=4 343 B14R2.24 Oc1ccccc1[C@H]2CNCCN2 Amb28043137 [0,0,1,0,0,0|2,0,1]=4 344 B14R2.24 Sc1ccccc1C2=CCCCN2 Amb25924093 [0,0,1,0,0,0|3,0,0]=4 345 B14R2.24 Sc1ccccc1C2CCCNC2 Amb27250567 [0,0,1,0,0,0|1,0,2]=4 346 B14R2.44 BrCCc1sc2ccccc2c1Br Amb27778612 [0,0,1,0,0,0|3,0,0]=4 347 B14R2.44 C#CCc1oc2ccccc2c1C Amb33373371 [0,0,1,0,0,0|2,0,1]=4 348 B14R2.44 CC1=C(CCN)Cc2ccccc21 Amb27476223 [0,0,1,0,0,0|1,0,0]=2 349 B14R2.44 CC1C(CCN)=Cc2ccccc21 Amb27407751 [0,0,1,0,0,0|1,0,1]=3 350 B14R2.44 CC1\C(=C\CN)Cc2ccccc21 Amb35672055 [0,0,1,0,0,0|1,0,2]=4 351 B14R2.44 CC1c2ccccc2CC1CCN Amb35671954 [0,0,1,0,0,0|1,0,2]=4 352 B14R2.44 CCCN1Nc2ccccc2C1=O Amb27784223 [0,0,1,0,0,0|3,0,0]=4 353 B14R2.44 CCCc1nc2ccccc2n1C Amb3693459 [0,0,1,0,0,0|2,0,1]=4 354 B14R2.44 CCCc1sc2ccccc2[n+]1C Amb8553015 [0,0,1,0,0,0|3,0,0]=4 355 B14R2.44 CN1c2ccccc2CC1CCN Amb27438543 [0,0,1,0,0,0|2,0,1]=4 356 B14R2.44 CNCc1oc2ccccc2c1C Amb18055206 [0,0,1,0,0,0|3,0,0]=4 357 B14R2.44 CNCc1sc2ccccc2c1C Amb27392137 [0,0,1,0,0,0|3,0,0]=4 358 B14R2.44 COCc1oc2ccccc2c1C Amb28243206 [0,0,1,0,0,0|3,0,0]=4 359 B14R2.44 Cc1c(CC#N)oc2ccccc12 Amb18553892 [0,0,1,0,0,0|1,0,2]=4 360 B14R2.44 Cc1c(CC=O)oc2ccccc12 Amb33373364 [0,0,1,0,0,0|2,0,1]=4 361 B14R2.44 Cc1c(CCBr)oc2ccccc12 Amb33336024 [0,0,1,0,0,0|2,0,0]=3 362 B14R2.44 Cc1c(CCBr)sc2ccccc12 Amb28051558 [0,0,1,0,0,0|2,0,0]=3 363 B14R2.44 Cc1c(CCN)nc2ccccn12 Amb25997667 [0,0,1,0,0,0|1,0,1]=3 364 B14R2.44 Cc1c(CCN)oc2ccccc12 Amb18554084 [0,0,1,0,0,0|1,0,0]=2 365 B14R2.44 Cc1c(CCN)sc2ccccc12 Amb25849313 [0,0,1,0,0,0|1,0,0]=2 366 B14R2.44 Cc1c(CCO)nc2ccccn12 Amb27980469 [0,0,1,0,0,0|2,0,1]=4 367 B14R2.44 Cc1c(CCO)oc2ccccc12 Amb33422882 [0,0,1,0,0,0|2,0,0]=3 368 B14R2.44 Cc1c(CCS)oc2ccccc12 Amb33372614 [0,0,1,0,0,0|2,0,0]=3 369 B14R2.44 Cc1c(CNN)oc2ccccc12 Amb19664672 [0,0,1,0,0,0|2,0,0]=3 370 B14R2.44 Cc1c(CNO)oc2ccccc12 Amb33327087 [0,0,1,0,0,0|3,0,0]=4 371 B14R2.44 Cc1c(CON)oc2ccccc12 Amb33225539 [0,0,1,0,0,0|2,0,0]=3 372 B14R2.44 Cn1c(CCBr)cc2ccccc21 Amb33432533 [0,0,1,0,0,0|3,0,0]=4 373 B14R2.44 Cn1c(CCCl)nc2ccccc21 Amb13952558 [0,0,1,0,0,0|2,0,1]=4 374 B14R2.44 Cn1c(CCCl)nc2ccccc21 Amb9531319 [0,0,1,0,0,0|2,0,1]=4 375 B14R2.44 Cn1c(CCN)cc2ccccc21 Amb18197544 [0,0,1,0,0,0|2,0,0]=3 376 B14R2.44 Cn1c(CCN)cc2cccnc21 Amb18825124 [0,0,1,0,0,0|3,0,0]=4 377 B14R2.44 Cn1c(CCN)cc2ncccc21 Amb18825125 [0,0,1,0,0,0|3,0,0]=4 378 B14R2.44 Cn1c(CCN)nc2ccccc21 Amb17622266 [0,0,1,0,0,0|1,0,1]=3 379 B14R2.44 Cn1c(CCN)nc2ccccc21 Amb21955462 [0,0,1,0,0,0|1,0,1]=3 380 B14R2.44 Cn1c(CCN)nc2ccccc21 Amb2721909 [0,0,1,0,0,0|1,0,1]=3 381 B14R2.44 Cn1c(CCN)nc2cccnc21 Amb1102758 [0,0,1,0,0,0|2,0,1]=4 382 B14R2.44 Cn1c(CCN)nc2ccncc21 Amb18196606 [0,0,1,0,0,0|2,0,1]=4 383 B14R2.44 Cn1c(CCN)nc2cnccc21 Amb18196650 [0,0,1,0,0,0|2,0,1]=4 384 B14R2.44 Cn1c(CCN)nc2ncccc21 Amb18825059 [0,0,1,0,0,0|2,0,1]=4 385 B14R2.44 Cn1c(CCO)cc2ccccc21 Amb22900920 [0,0,1,0,0,0|3,0,0]=4 386 B14R2.44 Cn1c(CCO)nc2ccccc21 Amb1102600 [0,0,1,0,0,0|2,0,1]=4 387 B14R2.44 Cn1c(CCO)nc2ccccc21 Amb13949176 [0,0,1,0,0,0|2,0,1]=4 388 B14R2.44 Cn1c(CCS)cc2ccccc21 Amb33142750 [0,0,1,0,0,0|3,0,0]=4 389 B14R2.44 Cn1c(CNN)cc2ccccc21 Amb25139606 [0,0,1,0,0,0|3,0,0]=4 390 B14R2.44 Cn1c(CNN)nc2ccccc21 Amb19664654 [0,0,1,0,0,0|2,0,1]=4 391 B14R2.44 Cn1c(CON)cc2ccccc21 Amb33225809 [0,0,1,0,0,0|3,0,0]=4 392 B14R2.44 NCCN1Cc2ccccc2C1=O Amb7083087 [0,0,1,0,0,0|3,0,0]=4 393 B14R2.44 NCCN1Cc2ccccc2C1=O Amb831849 [0,0,1,0,0,0|3,0,0]=4 394 B14R2.44 NCCc1nc2ccccc2n1O Amb27480858 [0,0,1,0,0,0|2,0,1]=4 395 B14R2.44 NCCc1nc2ccccn2c1Cl Amb25864629 [0,0,1,0,0,0|2,0,1]=4 396 B14R2.44 NCCc1sc2ccccc2c1Cl Amb28202673 [0,0,1,0,0,0|2,0,0]=3 397 B14R2.44 OCCc1sc2ccccc2c1Br Amb2614529 [0,0,1,0,0,0|3,0,0]=4 398 B14R2.44 [C-]#[N+]Cc1oc2ccccc2c1C Amb33422879 [0,0,1,0,0,0|3,0,0]=4 399 B14R2.67 BrCCCc1cc2ccccc2s1 Amb24566656 [0,0,1,0,0,0|3,0,0]=4 400 B14R2.67 C#CCCc1cc2ccccc2s1 Amb33312494 [0,0,1,0,0,0|2,0,1]=4 401 B14R2.67 C=CCCc1cc2ccccc2o1 Amb35715392 [0,0,1,0,0,0|2,0,1]=4 402 B14R2.67 CCCCC1=Cc2ccccc2C1 Amb15692408 [0,0,1,0,0,0|2,0,0]=3 403 B14R2.67 CCCCc1cc2ccccc2o1 Amb4019508 [0,0,1,0,0,0|2,0,0]=3 404 B14R2.67 CCCCc1cc2ccncc2o1 Amb27965777 [0,0,1,0,0,0|3,0,0]=4 405 B14R2.67 CCCCc1cc2cnccc2o1 Amb27193440 [0,0,1,0,0,0|3,0,0]=4 406 B14R2.67 CCCCc1nc2ccccc2o1 Amb17570156 [0,0,1,0,0,0|2,0,1]=4 407 B14R2.67 CCCSc1cc2ccccc2o1 Amb27968000 [0,0,1,0,0,0|3,0,0]=4 408 B14R2.67 CCNCc1cc2ccccc2o1 Amb20623588 [0,0,1,0,0,0|3,0,0]=4 409 B14R2.67 CCNCc1cc2ccccc2o1 Amb4061617 [0,0,1,0,0,0|3,0,0]=4 410 B14R2.67 CCNCc1cc2ccccc2s1 Amb21959930 [0,0,1,0,0,0|3,0,0]=4 411 B14R2.67 CCNCc1cc2ccccc2s1 Amb2592066 [0,0,1,0,0,0|3,0,0]=4 412 B14R2.67 CCOCc1cc2ccccc2o1 Amb27965776 [0,0,1,0,0,0|3,0,0]=4 413 B14R2.67 CNCCC1Cc2ccccc2C1 Amb25097431 [0,0,1,0,0,0|1,0,2]=4 414 B14R2.67 CNCCc1cc2ccccc2s1 Amb19648794 [0,0,1,0,0,0|1,0,0]=2 415 B14R2.67 CNCCc1cc2ncccn2n1 Amb33145296 [0,0,1,0,0,0|2,0,1]=4 416 B14R2.67 CNCCc1cn2ccccc2n1 Amb18183955 [0,0,1,0,0,0|1,0,1]=3 417 B14R2.67 CNCCc1nc2ccccc2s1 Amb18292780 [0,0,1,0,0,0|1,0,1]=3 418 B14R2.67 CNCCc1nc2cccnc2s1 Amb27239404 [0,0,1,0,0,0|2,0,1]=4 419 B14R2.67 CNCCc1nc2cnccc2s1 Amb27593355 [0,0,1,0,0,0|2,0,1]=4 420 B14R2.67 CNCCc1nc2ncccc2o1 Amb18224558 [0,0,1,0,0,0|2,0,1]=4 421 B14R2.67 CN\N=C\c1cc2ccccc2o1 Amb27394717 [0,0,1,0,0,0|2,0,1]=4 422 B14R2.67 COCCc1cc2ccccc2s1 Amb22371692 [0,0,1,0,0,0|2,0,0]=3 423 B14R2.67 COCCc1nc2ccccc2o1 Amb17570232 [0,0,1,0,0,0|2,0,1]=4 424 B14R2.67 CONCc1cc2ccccc2s1 Amb27752790 [0,0,1,0,0,0|3,0,0]=4 425 B14R2.67 CSCCC1Cc2ccccc2N1 Amb28461083 [0,0,1,0,0,0|1,0,2]=4 426 B14R2.67 ClCCCc1cc2ccccc2o1 Amb27392260 [0,0,1,0,0,0|3,0,0]=4 427 B14R2.67 ICCCc1cc2ccccc2s1 Amb27962458 [0,0,1,0,0,0|3,0,0]=4 428 B14R2.67 N#CCCc1cc2ccccc2s1 Amb18649668 [0,0,1,0,0,0|3,0,0]=4 429 B14R2.67 NCCCc1cc2ccccc2o1 Amb18559434 [0,0,1,0,0,0|3,0,0]=4 430 B14R2.67 NCCCc1cc2ccccc2s1 Amb27810749 [0,0,1,0,0,0|3,0,0]=4 431 B14R2.67 NNCCc1nc2ccccc2s1 Amb25157605 [0,0,1,0,0,0|2,0,1]=4 432 B14R2.67 NOCCc1cc2ccccc2s1 Amb33312848 [0,0,1,0,0,0|3,0,0]=4 433 B14R2.67 O=CCCC1=Cc2ccccc2C1 Amb27592942 [0,0,1,0,0,0|3,0,0]=4 434 B14R2.67 O=CCCc1cc2ccccc2s1 Amb26467925 [0,0,1,0,0,0|3,0,0]=4 435 B14R2.67 O=C\C=C\c1cc2c(s1)CCCC2 Amb33340135 [0,0,1,0,0,0|3,0,0]=4 436 B14R2.67 OCCCc1cc2ccccc2o1 Amb28341346 [0,0,1,0,0,0|3,0,0]=4 437 B14R2.67 OCCCc1cc2ccccc2s1 Amb24072161 [0,0,1,0,0,0|3,0,0]=4 438 B14R2.67 SCCCc1cc2ccccc2o1 Amb27851595 [0,0,1,0,0,0|3,0,0]=4 439 B14R2.67 SCCCc1cc2ccccc2s1 Amb26441208 [0,0,1,0,0,0|3,0,0]=4 440 B14R2.67 [C-]#[N+]CCc1cc2ccccc2s1 Amb33312905 [0,0,1,0,0,0|1,0,2]=4 441 B14R2.517 CCCC1C(=O)Nc2ccccc21 Amb17233120 [0,0,1,0,0,0|2,0,1]=4 442 B14R2.517 CCCN1C(=O)Nc2ccccc21 Amb18034258 [0,0,1,0,0,0|3,0,0]=4 443 B14R2.517 CCCN1C(=S)Nc2ccccc21 Amb19815963 [0,0,1,0,0,0|3,0,0]=4 444 B14R2.517 CCC[n+]1c(C)sc2ccccc21 Amb4020176 [0,0,1,0,0,0|3,0,0]=4 445 B14R2.517 CCCc1c(C)cc2ccccn12 Amb27264631 [0,0,1,0,0,0|3,0,0]=4 446 B14R2.517 CCCc1c(C)nc2ccccn12 Amb27634972 [0,0,1,0,0,0|2,0,1]=4 447 B14R2.517 CC\C=C1\C(=O)Nc2ccccc21 Amb27970958 [0,0,1,0,0,0|2,0,1]=4 448 B14R2.517 CC\N=C1\C(=O)Nc2ccccc21 Amb25995413 [0,0,1,0,0,0|3,0,0]=4 449 B14R2.517 CNCC1C(=O)Nc2ccccc21 Amb28044155 [0,0,1,0,0,0|1,0,1]=3 450 B14R2.517 CNCC1c2ccccc2OC1C Amb27215649 [0,0,1,0,0,0|1,0,2]=4 451 B14R2.517 CNCc1c(C)nc2ccccn12 Amb2723332 [0,0,1,0,0,0|1,0,1]=3 452 B14R2.517 CNCc1c(C)oc2ccccc12 Amb25689631 [0,0,1,0,0,0|1,0,0]=2 453 B14R2.517 CNCc1c(C)oc2ccccc12 Amb33156927 [0,0,1,0,0,0|1,0,0]=2 454 B14R2.517 CNCc1c(Cl)oc2ccccc12 Amb24492009 [0,0,1,0,0,0|2,0,0]=3 455 B14R2.517 CNCc1c2ccccc2nn1C Amb33312187 [0,0,1,0,0,0|1,0,1]=3 456 B14R2.517 CN\C=C1/C(=O)Nc2ccccc21 Amb28255618 [0,0,1,0,0,0|1,0,1]=3 457 B14R2.517 CN\C=C1\C(=O)Nc2ccccc21 Amb27880892 [0,0,1,0,0,0|1,0,1]=3 458 B14R2.517 COCn1c(C)cc2ccccc21 Amb24359239 [0,0,1,0,0,0|3,0,0]=4 459 B14R2.517 CO\C=C1\C(=O)Nc2ccccc21 Amb4007687 [0,0,1,0,0,0|2,0,1]=4 460 B14R2.517 CO\N=C1\C(=O)Nc2ccccc21 Amb25235523 [0,0,1,0,0,0|3,0,0]=4 461 B14R2.517 CSCc1c(C)sc2ccccc12 Amb27200108 [0,0,1,0,0,0|2,0,0]=3 462 B14R2.517 CSCn1c(C)nc2ccccc21 Amb2819690 [0,0,1,0,0,0|2,0,1]=4 463 B14R2.517 CS\C=C1\C(=O)Nc2ccccc21 Amb26388687 [0,0,1,0,0,0|2,0,1]=4 464 B14R2.517 Cc1oc2ccccc2c1CC#N Amb18126778 [0,0,1,0,0,0|3,0,0]=4 465 B14R2.517 Cc1oc2ccccc2c1CCN Amb25187809 [0,0,1,0,0,0|3,0,0]=4 466 B14R2.517 Cc1oc2ccccc2c1CCN Amb33307172 [0,0,1,0,0,0|3,0,0]=4 467 B14R2.517 Cc1sc2ccccc2c1CC#N Amb8385137 [0,0,1,0,0,0|3,0,0]=4 468 B14R2.517 Cc1sc2ccccc2c1CCN Amb27209653 [0,0,1,0,0,0|3,0,0]=4 469 B14R2.517 Cn1nc2ccccc2c1CNN Amb33312121 [0,0,1,0,0,0|2,0,1]=4 470 B14R2.517 Cn1nc2ccccc2c1CNO Amb33312482 [0,0,1,0,0,0|2,0,1]=4 471 B14R2.517 O=C1Nc2ccccc2\C1=C/NO Amb27792945 [0,0,1,0,0,0|2,0,1]=4 472 B14R2.517 ONCc1c(Cl)oc2ccccc12 Amb26646224 [0,0,1,0,0,0|3,0,0]=4 473 B14R2.1129 CCN1Cc2ccccc2C1CN Amb18936823 [0,0,1,0,0,0|2,0,1]=4 474 B14R2.1129 CCc1c(CCl)oc2ccccc12 Amb28245315 [0,0,1,0,0,0|3,0,0]=4 475 B14R2.1129 CCc1nc2ccccc2n1CC Amb1746127 [0,0,1,0,0,0|2,0,1]=4 476 B14R2.1129 CCc1nc2ccccn2c1CN Amb18252273 [0,0,1,0,0,0|1,0,1]=3 477 B14R2.1129 CCc1oc2ccccc2c1C#N Amb445431 [0,0,1,0,0,0|1,0,2]=4 478 B14R2.1129 CCc1oc2ccccc2c1C=O Amb444020 [0,0,1,0,0,0|2,0,1]=4 479 B14R2.1129 CCc1oc2ccccc2c1CO Amb18180578 [0,0,1,0,0,0|2,0,0]=3 480 B14R2.1129 CCc1oc2ccccc2c1CS Amb32788715 [0,0,1,0,0,0|2,0,0]=3 481 B14R2.1129 CCc1sc2ccccc2c1SC Amb28133216 [0,0,1,0,0,0|3,0,0]=4 482 B14R2.2839 c1ccc2c(c1)CCCCCCN2 Amb9783376 [0,0,1,0,0,0|1,0,2]=4 483 B16R4.3705 c1ccc2c(c1)cc3n2CC4CC34 Amb28243235 [0,0,0,1,0,0|3,0,0]=4 484 B14R3.49 C1=C2C(=Nc3ccccc32)CC1 Amb27423983 [0,0,0,0,1,0|0,0,2]=3 485 B14R3.49 C1=CC2=NC3=C(CCCN3)C2=C1 Amb26612785 [0,0,0,0,1,0|2,0,1]=4 486 B14R3.49 c1cc2c(cn1)cc3n2CCC3 Amb28249024 [0,0,0,0,1,0|3,0,0]=4 487 B14R3.49 c1cc2n(c1)CC3=C2CCCC3 Amb27490739 [0,0,0,0,1,0|3,0,0]=4 488 B14R3.49 c1cc2n(c1)CC3=C2CNCC3 Amb18199836 [0,0,0,0,1,0|2,0,0]=3 489 B14R3.49 c1cc2nc3n(c2cn1)CCC3 Amb27165095 [0,0,0,0,1,0|2,0,1]=4 490 B14R3.49 c1cc2oc3c(c2cn1)NCC3 Amb18830268 [0,0,0,0,1,0|2,0,0]=3 491 B14R3.49 c1cc2sc3c(c2cn1)NCC3 Amb18196325 [0,0,0,0,1,0|2,0,0]=3 492 B14R3.49 c1ccc2c(c1)CC3CCNC23 Amb27770096 [0,0,0,0,1,0|1,0,2]=4 493 B14R3.49 c1ccc2c(c1)CN3CCCN23 Amb28198664 [0,0,0,0,1,0|3,0,0]=4 494 B14R3.49 c1ccc2c(c1)NC3=NCCC32 Amb28243983 [0,0,0,0,1,0|1,0,1]=3 495 B14R3.49 c1ccc2c(c1)NC3=NCCN32 Amb17873449 [0,0,0,0,1,0|2,0,0]=3 496 B14R3.49 c1ccc2c(c1)NC3=NCCN32 Amb22493775 [0,0,0,0,1,0|2,0,0]=3 497 B14R3.49 c1ccc2c(c1)NC3CCCC23 Amb22802457 [0,0,0,0,1,0|0,0,2]=3 498 B14R3.49 c1ccc2c(c1)N[C@@H]3CCC[C@H]23 Amb27647586 [0,0,0,0,1,0|0,0,2]=3 499 B14R3.49 c1ccc2c(c1)N[C@H]3CCC[C@@H]23 Amb27227996 [0,0,0,0,1,0|0,0,2]=3 500 B14R3.49 c1ccc2c(c1)cc3n2CCN3 Amb18830470 [0,0,0,0,1,0|3,0,0]=4 501 B14R3.49 c1ccc2c(c1)nc3n2CCC3 Amb2137051 [0,0,0,0,1,0|1,0,1]=3 502 B14R3.49 c1ccc2c(c1)nc3n2CCN3 Amb1639394 [0,0,0,0,1,0|2,0,1]=4 503 B14R3.49 c1ccc2c(c1)nc3n2CNC3 Amb24089019 [0,0,0,0,1,0|1,0,1]=3 504 B14R3.49 c1ccc2c(c1)sc3[n+]2CCC3 Amb3592064 [0,0,0,0,1,0|2,0,0]=3 505 B14R3.49 c1ccc2c3c(oc2c1)CN=N3 Amb26464157 [0,0,0,0,1,0|2,0,1]=4 506 B14R3.49 c1ccc2c3c(oc2c1)CNC3 Amb18830377 [0,0,0,0,1,0|1,0,0]=2 507 B14R3.49 c1ccc2c3c(sc2c1)CNC3 Amb18197009 [0,0,0,0,1,0|1,0,0]=2 508 B14R3.49 c1ccc2c3c(sc2c1)NCC3 Amb18196943 [0,0,0,0,1,0|2,0,0]=3 509 B14R3.49 c1ccc2c3n(nc2c1)CCO3 Amb27803783 [0,0,0,0,1,0|2,0,1]=4 510 B14R3.49 c1ccn2c3c(cc2c1)CNC3 Amb18830469 [0,0,0,0,1,0|2,0,0]=3 511 B14R3.49 c1ccn2c3c(nc2c1)CCC3 Amb27474098 [0,0,0,0,1,0|1,0,1]=3 512 B14R3.49 c1ccn2c3c(nc2c1)CCN3 Amb18830344 [0,0,0,0,1,0|1,0,1]=3 513 B14R3.49 c1ccn2c3c(nc2c1)CNC3 Amb18830345 [0,0,0,0,1,0|1,0,1]=3 514 B14R3.49 c1ccn2nc3c(c2c1)CNC3 Amb18830343 [0,0,0,0,1,0|1,0,1]=3 515 B14R3.49 c1cn2c3c(nc2cn1)CCC3 Amb27647912 [0,0,0,0,1,0|2,0,1]=4 516 B14R3.49 c1cn2c3c(nc2s1)CCNC3 Amb27416508 [0,0,0,0,1,0|2,0,1]=4 517 B14R3.49 c1cnc2c3c(oc2c1)CCN3 Amb18830269 [0,0,0,0,1,0|2,0,0]=3 518 B14R3.49 c1cnc2c3c(sc2c1)CCN3 Amb18825045 [0,0,0,0,1,0|2,0,0]=3 519 B14R3.49 c1cnc2oc3c(c2c1)NCC3 Amb18830270 [0,0,0,0,1,0|2,0,0]=3 520 B14R3.49 c1cnc2sc3c(c2c1)NCC3 Amb18196570 [0,0,0,0,1,0|2,0,0]=3 521 B16R3.9 C1=C2OCCN=C2c3ccccc3N1 Amb27761740 [0,0,0,0,0,1|3,0,0]=4 522 B16R3.9 C1=C2c3ccccc3NCC2CCN1 Amb27793130 [0,0,0,0,0,1|0,0,2]=3 523 B16R3.9 C1=Cc2c(ccc3ccccc23)CC1 Amb24513593 [0,0,0,0,0,1|2,0,1]=4 524 B16R3.9 c1cc[n+]2c3c(cnc2c1)CCCC3 Amb22345526 [0,0,0,0,0,1|2,0,1]=4 525 B16R3.9 c1ccc2c(c1)CCC3=C2CCCC3 Amb6359599 [0,0,0,0,0,1|2,0,0]=3 526 B16R3.9 c1ccc2c(c1)CCC3CCNCC23 Amb27748069 [0,0,0,0,0,1|1,0,2]=4 527 B16R3.9 c1ccc2c(c1)CCN3CCNCC23 Amb21864907 [0,0,0,0,0,1|2,0,1]=4 528 B16R3.9 c1ccc2c(c1)CCN3CCNCC23 Amb5750786 [0,0,0,0,0,1|2,0,1]=4 529 B16R3.9 c1ccc2c(c1)CCN3CCNC[C@@H]23 Amb28283109 [0,0,0,0,0,1|2,0,1]=4 530 B16R3.9 c1ccc2c(c1)CCN3CCNC[C@@H]23 Amb32405692 [0,0,0,0,0,1|2,0,1]=4 531 B16R3.9 c1ccc2c(c1)CCN3CCNC[C@H]23 Amb28399295 [0,0,0,0,0,1|2,0,1]=4 532 B16R3.9 c1ccc2c(c1)CCN3CCNC[C@H]23 Amb33871746 [0,0,0,0,0,1|2,0,1]=4 533 B16R3.9 c1ccc2c(c1)CN[C@@H]3CCCC[C@@H]23 Amb28247975 [0,0,0,0,0,1|1,0,2]=4 534 B16R3.9 c1ccc2c(c1)CN[C@H]3CCCC[C@@H]23 Amb27647585 [0,0,0,0,0,1|1,0,2]=4 535 B16R3.9 c1ccc2c(c1)CO[C@H]3CCNC[C@@H]23 Amb27624473 [0,0,0,0,0,1|1,0,2]=4 536 B16R3.9 c1ccc2c(c1)NCC3CCCCC23 Amb24367302 [0,0,0,0,0,1|1,0,2]=4 537 B16R3.9 c1ccc2c(c1)NCC3CCCCN23 Amb17234594 [0,0,0,0,0,1|2,0,1]=4 538 B16R3.9 c1ccc2c(c1)NC[C@@H]3CCCCN23 Amb25761116 [0,0,0,0,0,1|2,0,1]=4 539 B16R3.9 c1ccc2c(c1)NC[C@H]3CCCCN23 Amb25776870 [0,0,0,0,0,1|2,0,1]=4 540 B16R3.9 c1ccc2c(c1)NC[C@H]3CCCC[C@H]23 Amb27238766 [0,0,0,0,0,1|1,0,2]=4 541 B16R3.9 c1ccc2c(c1)OCN3CCNCC23 Amb18560873 [0,0,0,0,0,1|2,0,1]=4 542 B16R3.9 c1ccc2c3c(ccc2c1)CCNC3 Amb27849578 [0,0,0,0,0,1|1,0,0]=2 543 B16R3.9 c1ccc2c3c(ccc2c1)CCNC3 Amb33330561 [0,0,0,0,0,1|1,0,0]=2 544 B16R3.9 c1ccc2c3c(ccc2c1)CNCC3 Amb19068292 [0,0,0,0,0,1|3,0,0]=4 545 B16R3.9 c1ccc2c3c(ccc2c1)CNCC3 Amb32693429 [0,0,0,0,0,1|3,0,0]=4 546 B16R3.9 c1ccc2c3c(cnc2c1)CCCC3 Amb1871531 [0,0,0,0,0,1|1,0,1]=3 547 B16R3.9 c1ccc2c3c(cnc2c1)CCNC3 Amb24359012 [0,0,0,0,0,1|0,0,1]=2 548 B16R3.9 c1ccc2c3c(cnc2c1)CNCC3 Amb26865855 [0,0,0,0,0,1|2,0,1]=4 549 B16R3.9 c1ccc2c3c(nnc2c1)CCCN3 Amb18822454 [0,0,0,0,0,1|2,0,1]=4 550 B16R3.1720 C1=C2CCNCC2Sc3ccccc31 Amb27799749 [0,0,0,0,0,1|1,0,1]=3 551 B16R3.1720 C1=CC2=Nc3ccccc3NC2=CC1 Amb25830472 [0,0,0,0,0,1|1,0,2]=4 552 B16R3.1720 C1=CCc2cc3ccccc3cc2C1 Amb27634784 [0,0,0,0,0,1|2,0,1]=4 553 B16R3.1720 C1=Cc2nc3ccccc3cc2CN1 Amb28186486 [0,0,0,0,0,1|0,0,3]=4 554 B16R3.1720 C1=NCCc2cc3ccccc3cc21 Amb27852381 [0,0,0,0,0,1|1,0,2]=4 555 B16R3.1720 c1cc2nc3c(cc2cn1)CNCC3 Amb2691498 [0,0,0,0,0,1|1,0,1]=3 556 B16R3.1720 c1ccc2c(c1)CC3=C(CCCC3)N2 Amb28074087 [0,0,0,0,0,1|1,0,0]=2 557 B16R3.1720 c1ccc2c(c1)CC3CCCCC3N2 Amb24677678 [0,0,0,0,0,1|1,0,2]=4 558 B16R3.1720 c1ccc2c(c1)CC3CNCCN3C2 Amb17139208 [0,0,0,0,0,1|2,0,1]=4 559 B16R3.1720 c1ccc2c(c1)CN3CCCCC3N2 Amb27746905 [0,0,0,0,0,1|2,0,1]=4 560 B16R3.1720 c1ccc2c(c1)CN3CCNCC3N2 Amb24391727 [0,0,0,0,0,1|2,0,1]=4 561 B16R3.1720 c1ccc2c(c1)C[C@H]3CCCC[C@H]3N2 Amb28385059 [0,0,0,0,0,1|1,0,2]=4 562 B16R3.1720 c1ccc2c(c1)N=C3CCNCC3S2 Amb17074522 [0,0,0,0,0,1|0,0,2]=3 563 B16R3.1720 c1ccc2c(c1)NC3=C(CCCC3)N2 Amb24681001 [0,0,0,0,0,1|1,0,0]=2 564 B16R3.1720 c1ccc2c(c1)NC3=C(CCCC3)S2 Amb27949601 [0,0,0,0,0,1|1,0,0]=2 565 B16R3.1720 c1ccc2c(c1)NC3CCCCC3N2 Amb24498286 [0,0,0,0,0,1|1,0,2]=4 566 B16R3.1720 c1ccc2c(c1)NC3CCCCC3S2 Amb17595488 [0,0,0,0,0,1|1,0,2]=4 567 B16R3.1720 c1ccc2cc3c(cc2c1)CCCN3 Amb25771744 [0,0,0,0,0,1|3,0,0]=4 568 B16R3.1720 c1ccc2nc3c(cc2c1)CCCN3 Amb27203829 [0,0,0,0,0,1|2,0,1]=4 569 B16R3.1720 c1ccc2nc3c(cc2c1)CCNC3 Amb26554975 [0,0,0,0,0,1|1,0,0]=2 570 B16R3.1720 c1ccc2nc3c(cc2c1)CNCC3 Amb18863092 [0,0,0,0,0,1|0,0,1]=2 571 B16R3.1720 c1ccc2nc3c(nc2c1)CCCC3 Amb2743666 [0,0,0,0,0,1|1,0,1]=3 572 B16R3.1720 c1cnc2nc3c(cc2c1)CNCC3 Amb2691483 [0,0,0,0,0,1|1,0,1]=3 573 B16R3.1722 c1ccc2c(c1)CC3=C2CCNCC3 Amb28252144 [0,0,0,0,0,1|1,0,0]=2 574 B16R3.1722 c1ccc2c(c1)CC3CCNCCN23 Amb27597489 [0,0,0,0,0,1|2,0,1]=4 575 B16R3.1722 c1ccc2c(c1)NC3CCCCCC23 Amb28240867 [0,0,0,0,0,1|1,0,2]=4 576 B16R3.1722 c1ccc2c(c1)cc3n2CCCNC3 Amb24745528 [0,0,0,0,0,1|3,0,0]=4 577 B16R3.1722 c1ccc2c(c1)cc3n2CCCNC3 Amb26304311 [0,0,0,0,0,1|3,0,0]=4 578 B16R3.1722 c1ccc2c(c1)nc3n2CCCCC3 Amb24091939 [0,0,0,0,0,1|2,0,1]=4 579 B16R3.1722 c1ccc2c(c1)nc3n2CCCCN3 Amb18821401 [0,0,0,0,0,1|2,0,1]=4 580 B16R3.1722 c1ccc2c(c1)nc3n2CCCNC3 Amb18821544 [0,0,0,0,0,1|2,0,1]=4 581 B16R3.1722 c1ccc2c(c1)nc3n2CCNCC3 Amb22263595 [0,0,0,0,0,1|1,0,1]=3 582 B16R3.1722 c1ccc2c3c(oc2c1)CCCNC3 Amb28187051 [0,0,0,0,0,1|1,0,0]=2 583 B16R3.1722 c1ccc2c3c(oc2c1)CNCCC3 Amb27463138 [0,0,0,0,0,1|2,0,0]=3 584 B16R3.1722 c1ccc2c3c(sc2c1)NCCCC3 Amb27234532 [0,0,0,0,0,1|2,0,0]=3 585 B16R3.1726 c1ccc2c(c1)CC3CCNCC2O3 Amb27791839 [0,0,0,0,0,1|1,0,2]=4 586 B16R3.1726 c1ccc2c(c1)OC3CCNCC2C3 Amb27974239 [0,0,0,0,0,1|1,0,2]=4 587 B13R2.1 BrCCC1=CCc2ccccc21 Amb27808546 [1,0,1,0,0,0|2,0,0]=4 588 B13R2.1 BrCCc1coc2ccccc12 Amb25679155 [1,0,1,0,0,0|2,0,0]=4 589 B13R2.1 BrCCc1csc2ccccc12 Amb25353248 [1,0,1,0,0,0|2,0,0]=4 590 B13R2.1 CCCC1CNc2ccccc21 Amb25882717 [1,0,1,0,0,0|0,0,2]=4 591 B13R2.1 CCC[n+]1csc2ccccc21 Amb3984862 [1,0,1,0,0,0|2,0,0]=4 592 B13R2.1 CCCc1ccc2ccccn12 Amb28145853 [1,0,1,0,0,0|2,0,0]=4 593 B13R2.1 CCCc1noc2ccccc12 Amb27225179 [1,0,1,0,0,0|2,0,0]=4 594 B13R2.1 CCCn1cnc2ccccc21 Amb1104096 [1,0,1,0,0,0|1,0,1]=4 595 B13R2.1 CCNC1CNc2ccccc21 Amb27642737 [1,0,1,0,0,0|0,0,2]=4 596 B13R2.1 CCNc1coc2ccccc12 Amb25119969 [1,0,1,0,0,0|1,0,0]=3 597 B13R2.1 CCNc1csc2ccccc12 Amb25820242 [1,0,1,0,0,0|1,0,0]=3 598 B13R2.1 CCNc1noc2ccccc12 Amb27454266 [1,0,1,0,0,0|2,0,0]=4 599 B13R2.1 CCNc1nsc2ccccc12 Amb24066790 [1,0,1,0,0,0|2,0,0]=4 600 B13R2.1 CCNc1nsc2ccccc12 Amb24488581 [1,0,1,0,0,0|2,0,0]=4 601 B13R2.1 CCNn1cnc2ccccc21 Amb27641833 [1,0,1,0,0,0|1,0,1]=4 602 B13R2.1 CNCC1C=Cc2ccccc21 Amb27463630 [1,0,1,0,0,0|1,0,1]=4 603 B13R2.1 CNCC1CNc2ccccc21 Amb27864740 [1,0,1,0,0,0|0,0,2]=4 604 B13R2.1 CNCc1ccc2cccoc12 Amb25915335 [1,0,1,0,0,0|2,0,0]=4 605 B13R2.1 CNCc1ccc2ccocc12 Amb26035297 [1,0,1,0,0,0|2,0,0]=4 606 B13R2.1 CNCc1ccc2coccc12 Amb24473156 [1,0,1,0,0,0|2,0,0]=4 607 B13R2.1 CNCc1cnc2ccccn12 Amb22587616 [1,0,1,0,0,0|1,0,1]=4 608 B13R2.1 CNCc1cnc2ccccn12 Amb22587686 [1,0,1,0,0,0|1,0,1]=4 609 B13R2.1 CNCc1cnc2ccccn12 Amb8503485 [1,0,1,0,0,0|1,0,1]=4 610 B13R2.1 CNCc1cnn2ccccc12 Amb27412681 [1,0,1,0,0,0|1,0,1]=4 611 B13R2.1 CNCc1coc2ccccc12 Amb19649828 [1,0,1,0,0,0|1,0,0]=3 612 B13R2.1 CNCc1csc2ccccc12 Amb18286790 [1,0,1,0,0,0|1,0,0]=3 613 B13R2.1 CNCc1csc2ccccc12 Amb9147582 [1,0,1,0,0,0|1,0,0]=3 614 B13R2.1 CNCc1csc2ncccc12 Amb27959092 [1,0,1,0,0,0|2,0,0]=4 615 B13R2.1 ICCc1csc2ccccc12 Amb27239170 [1,0,1,0,0,0|2,0,0]=4 616 B13R2.1 NCCC1=CCc2ccccc21 Amb19149344 [1,0,1,0,0,0|2,0,0]=4 617 B13R2.1 NCCC1=CCc2ccccc21 Amb21811903 [1,0,1,0,0,0|2,0,0]=4 618 B13R2.1 NCCc1coc2ccccc12 Amb2723681 [1,0,1,0,0,0|2,0,0]=4 619 B13R2.1 NCCc1csc2ccccc12 Amb10603482 [1,0,1,0,0,0|2,0,0]=4 620 B13R2.1 NCCc1csc2ccccc12 Amb10609034 [1,0,1,0,0,0|2,0,0]=4 621 B13R2.1 NNCc1coc2ccccc12 Amb19664673 [1,0,1,0,0,0|2,0,0]=4 622 B13R2.1 NNCc1csc2ccccc12 Amb18796045 [1,0,1,0,0,0|2,0,0]=4 623 B13R2.1 OCCc1coc2ccccc12 Amb2723680 [1,0,1,0,0,0|2,0,0]=4 624 B13R2.1 OCCc1csc2ccccc12 Amb24066376 [1,0,1,0,0,0|2,0,0]=4 625 B13R2.1 ONCc1csc2ccccc12 Amb27975174 [1,0,1,0,0,0|2,0,0]=4 626 B13R2.1 SCCc1coc2ccccc12 Amb26862256 [1,0,1,0,0,0|2,0,0]=4 627 B13R2.1 SCCc1csc2ccccc12 Amb25045544 [1,0,1,0,0,0|2,0,0]=4 628 B13R2.3 C1=C(c2ccccc2)CCCC1 Amb8513291 [1,0,1,0,0,0|1,0,0]=3 629 B13R2.3 C1=C(c2ccccc2)CCNC1 Amb1153094 [1,0,1,0,0,0|2,0,0]=4 630 B13R2.3 C1=C(c2ccccc2)CCNC1 Amb535503 [1,0,1,0,0,0|2,0,0]=4 631 B13R2.3 C1=C(c2ccccc2)CCOC1 Amb21960770 [1,0,1,0,0,0|2,0,0]=4 632 B13R2.3 C1=C(c2ccccc2)CNCC1 Amb18645223 [1,0,1,0,0,0|0,0,0]=2 633 B13R2.3 C1=C(c2ccccc2)CNCC1 Amb28600223 [1,0,1,0,0,0|0,0,0]=2 634 B13R2.3 C1=C(c2ccccn2)CCCC1 Amb10573565 [1,0,1,0,0,0|2,0,0]=4 635 B13R2.3 C1=C(c2ccccn2)CNCC1 Amb28185946 [1,0,1,0,0,0|1,0,0]=3 636 B13R2.3 C1=C(c2ccccn2)CNCC1 Amb28600235 [1,0,1,0,0,0|1,0,0]=3 637 B13R2.3 C1=C(c2cccnc2)CCCC1 Amb27615559 [1,0,1,0,0,0|2,0,0]=4 638 B13R2.3 C1=C(c2cccnc2)CNCC1 Amb25680273 [1,0,1,0,0,0|1,0,0]=3 639 B13R2.3 C1=C(c2cccnc2)CNCC1 Amb28600278 [1,0,1,0,0,0|1,0,0]=3 640 B13R2.3 C1=C(c2ccncc2)CCCC1 Amb33077485 [1,0,1,0,0,0|2,0,0]=4 641 B13R2.3 C1=C(c2ccncc2)CNCC1 Amb24746559 [1,0,1,0,0,0|1,0,0]=3 642 B13R2.3 C1=C(c2ccncc2)CNCC1 Amb28963389 [1,0,1,0,0,0|1,0,0]=3 643 B13R2.3 C1=C(c2ccncc2)CNCC1 Amb32664246 [1,0,1,0,0,0|1,0,0]=3 644 B13R2.3 C1=C(c2cncnc2)CNCC1 Amb27960220 [1,0,1,0,0,0|2,0,0]=4 645 B13R2.3 c1ccc(C2=NNCCO2)cc1 Amb27808595 [1,0,1,0,0,0|2,0,0]=4 646 B13R2.3 c1ccc(C2CCCNC2)cc1 Amb1995213 [1,0,1,0,0,0|0,0,2]=4 647 B13R2.3 c1ccc(C2CCCNC2)cc1 Amb2236473 [1,0,1,0,0,0|0,0,2]=4 648 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb10068867 [1,0,1,0,0,0|1,0,1]=4 649 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb2690307 [1,0,1,0,0,0|1,0,1]=4 650 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb32663253 [1,0,1,0,0,0|1,0,1]=4 651 B13R2.3 c1ccc(C2CNCCO2)cc1 Amb1782012 [1,0,1,0,0,0|1,0,1]=4 652 B13R2.3 c1ccc(C2CNCCO2)cc1 Amb7085744 [1,0,1,0,0,0|1,0,1]=4 653 B13R2.3 c1ccc(C2CNCCS2)cc1 Amb10068810 [1,0,1,0,0,0|1,0,1]=4 654 B13R2.3 c1ccc(C2CNCCS2)cc1 Amb3940988 [1,0,1,0,0,0|1,0,1]=4 655 B13R2.3 c1ccc([C@@H]2CCCNC2)cc1 Amb19888364 [1,0,1,0,0,0|0,0,2]=4 656 B13R2.3 c1ccc([C@@H]2CNCCN2)cc1 Amb28119934 [1,0,1,0,0,0|1,0,1]=4 657 B13R2.3 c1ccc([C@@H]2CNCCO2)cc1 Amb19889425 [1,0,1,0,0,0|1,0,1]=4 658 B13R2.3 c1ccc([C@@H]2CNCCO2)cc1 Amb22899094 [1,0,1,0,0,0|1,0,1]=4 659 B13R2.3 c1ccc([C@H]2CCCNC2)cc1 Amb19888168 [1,0,1,0,0,0|0,0,2]=4 660 B13R2.3 c1ccc([C@H]2CCCNC2)cc1 Amb22755507 [1,0,1,0,0,0|0,0,2]=4 661 B13R2.3 c1ccc([C@H]2CNCCN2)cc1 Amb25149925 [1,0,1,0,0,0|1,0,1]=4 662 B13R2.3 c1ccc([C@H]2CNCCO2)cc1 Amb27809067 [1,0,1,0,0,0|1,0,1]=4 663 B13R2.3 c1ccc([C@H]2CNCCO2)cc1 Amb34913338 [1,0,1,0,0,0|1,0,1]=4 664 B13R2.26 BrCCc1cc2ccccc2s1 Amb24596754 [1,0,1,0,0,0|2,0,0]=4 665 B13R2.26 CCCC1=Cc2ccccc2C1 Amb15692407 [1,0,1,0,0,0|1,0,0]=3 666 B13R2.26 CCCC1Cc2ccccc2N1 Amb27464141 [1,0,1,0,0,0|0,0,2]=4 667 B13R2.26 CCCC1Nc2ccccc2N1 Amb27831400 [1,0,1,0,0,0|1,0,1]=4 668 B13R2.26 CCCc1cc2ccccc2o1 Amb8503548 [1,0,1,0,0,0|1,0,0]=3 669 B13R2.26 CCCc1cc2ccccc2s1 Amb27980510 [1,0,1,0,0,0|1,0,0]=3 670 B13R2.26 CCCc1cc2ccncc2o1 Amb27796655 [1,0,1,0,0,0|2,0,0]=4 671 B13R2.26 CCCc1nc2ccccc2o1 Amb17570040 [1,0,1,0,0,0|1,0,1]=4 672 B13R2.26 CCSc1cc2ccccc2s1 Amb28130052 [1,0,1,0,0,0|2,0,0]=4 673 B13R2.26 CNCC1Cc2ccccc2N1 Amb28347865 [1,0,1,0,0,0|0,0,2]=4 674 B13R2.26 CNCc1cc2ccccc2o1 Amb10813873 [1,0,1,0,0,0|1,0,0]=3 675 B13R2.26 CNCc1cc2ccccc2o1 Amb5494061 [1,0,1,0,0,0|1,0,0]=3 676 B13R2.26 CNCc1cc2ccccc2s1 Amb1792462 [1,0,1,0,0,0|1,0,0]=3 677 B13R2.26 CNCc1cc2ccccc2s1 Amb6344858 [1,0,1,0,0,0|1,0,0]=3 678 B13R2.26 CNCc1cc2ccccn2n1 Amb27796487 [1,0,1,0,0,0|1,0,1]=4 679 B13R2.26 CNCc1cc2cccnc2s1 Amb2723084 [1,0,1,0,0,0|2,0,0]=4 680 B13R2.26 CNCc1cc2ccncc2s1 Amb19649237 [1,0,1,0,0,0|2,0,0]=4 681 B13R2.26 CNCc1cc2cnccc2s1 Amb19649232 [1,0,1,0,0,0|2,0,0]=4 682 B13R2.26 CNCc1cc2ncccc2o1 Amb27633655 [1,0,1,0,0,0|2,0,0]=4 683 B13R2.26 CNCc1cn2ccccc2n1 Amb10825272 [1,0,1,0,0,0|1,0,1]=4 684 B13R2.26 CNCc1cn2ccccc2n1 Amb1945767 [1,0,1,0,0,0|1,0,1]=4 685 B13R2.26 CNCc1nc2ccccc2o1 Amb6316127 [1,0,1,0,0,0|1,0,1]=4 686 B13R2.26 CNCc1nc2ccccc2s1 Amb21959881 [1,0,1,0,0,0|1,0,1]=4 687 B13R2.26 CNCc1nc2ccccc2s1 Amb440118 [1,0,1,0,0,0|1,0,1]=4 688 B13R2.26 COCc1cc2ccccc2s1 Amb27224969 [1,0,1,0,0,0|2,0,0]=4 689 B13R2.26 CSCc1cc2ccccc2s1 Amb27451587 [1,0,1,0,0,0|2,0,0]=4 690 B13R2.26 ICCc1cc2ccccc2s1 Amb28133212 [1,0,1,0,0,0|2,0,0]=4 691 B13R2.26 NCCC1=CN2C=CC=CC2N1 Amb24277001 [1,0,1,0,0,0|1,0,1]=4 692 B13R2.26 NCCC1=Cc2ccccc2C1 Amb27441993 [1,0,1,0,0,0|1,0,0]=3 693 B13R2.26 NCCc1cc2ccccc2o1 Amb19374782 [1,0,1,0,0,0|1,0,0]=3 694 B13R2.26 NCCc1cc2ccccc2o1 Amb7094240 [1,0,1,0,0,0|1,0,0]=3 695 B13R2.26 NCCc1cc2ccccc2s1 Amb16187156 [1,0,1,0,0,0|1,0,0]=3 696 B13R2.26 NCCc1cc2ccccc2s1 Amb21959883 [1,0,1,0,0,0|1,0,0]=3 697 B13R2.26 NCCc1cc2ccccn2c1 Amb32667068 [1,0,1,0,0,0|2,0,0]=4 698 B13R2.26 NCCc1cc2ccccn2c1 Amb5733281 [1,0,1,0,0,0|2,0,0]=4 699 B13R2.26 NCCc1cc2ccccn2n1 Amb18829914 [1,0,1,0,0,0|1,0,1]=4 700 B13R2.26 NCCc1cc2ccncc2s1 Amb18824806 [1,0,1,0,0,0|2,0,0]=4 701 B13R2.26 NCCc1cc2cnccc2o1 Amb18829702 [1,0,1,0,0,0|2,0,0]=4 702 B13R2.26 NCCc1cn2ccccc2n1 Amb1762642 [1,0,1,0,0,0|1,0,1]=4 703 B13R2.26 NCCc1cn2ccccc2n1 Amb2607018 [1,0,1,0,0,0|1,0,1]=4 704 B13R2.26 NCCc1cn2ccccc2n1 Amb6892623 [1,0,1,0,0,0|1,0,1]=4 705 B13R2.26 NCCc1nc2ccccc2o1 Amb21959819 [1,0,1,0,0,0|1,0,1]=4 706 B13R2.26 NCCc1nc2ccccc2o1 Amb33552504 [1,0,1,0,0,0|1,0,1]=4 707 B13R2.26 NCCc1nc2ccccc2o1 Amb6739970 [1,0,1,0,0,0|1,0,1]=4 708 B13R2.26 NCCc1nc2ccccc2s1 Amb436494 [1,0,1,0,0,0|1,0,1]=4 709 B13R2.26 NCCc1nc2ccccc2s1 Amb6892492 [1,0,1,0,0,0|1,0,1]=4 710 B13R2.26 NCCc1nc2ccccc2s1 Amb8428078 [1,0,1,0,0,0|1,0,1]=4 711 B13R2.26 NCCn1cc2ccccc2n1 Amb26883732 [1,0,1,0,0,0|1,0,1]=4 712 B13R2.26 NNCc1cc2ccccc2s1 Amb18790981 [1,0,1,0,0,0|2,0,0]=4 713 B13R2.26 NOCc1cc2ccccc2o1 Amb27209963 [1,0,1,0,0,0|2,0,0]=4 714 B13R2.26 NOCc1cc2ccccc2s1 Amb33312849 [1,0,1,0,0,0|2,0,0]=4 715 B13R2.26 OCCC1=Cc2ccccc2C1 Amb17594005 [1,0,1,0,0,0|2,0,0]=4 716 B13R2.26 OCCc1cc2ccccc2o1 Amb25087334 [1,0,1,0,0,0|2,0,0]=4 717 B13R2.26 OCCc1cc2ccccc2s1 Amb15692004 [1,0,1,0,0,0|2,0,0]=4 718 B13R2.26 ONCc1cc2ccccc2s1 Amb33314069 [1,0,1,0,0,0|2,0,0]=4 719 B13R2.26 SCCc1cc2ccccc2s1 Amb24066375 [1,0,1,0,0,0|2,0,0]=4 720 B13R2.45 CCC1=Cc2ccccc2C1=O Amb27177754 [1,0,1,0,0,0|2,0,0]=4 721 B13R2.45 CCC1Nc2ccccc2C1=O Amb17594018 [1,0,1,0,0,0|1,0,1]=4 722 B13R2.45 CCN1Nc2ccccc2C1=O Amb26871870 [1,0,1,0,0,0|2,0,0]=4 723 B13R2.45 CC[C@@H]1Nc2ccccc2[C@@H]1C Amb27965504 [1,0,1,0,0,0|0,0,2]=4 724 B13R2.45 CCc1cc2ccccn2c1N Amb18559303 [1,0,1,0,0,0|2,0,0]=4 725 B13R2.45 CCc1cc2ccocc2c1N Amb25697612 [1,0,1,0,0,0|2,0,0]=4 726 B13R2.45 CCc1nc2ccccc2n1C Amb1746128 [1,0,1,0,0,0|1,0,1]=4 727 B13R2.45 CCc1nc2ccccc2n1N Amb453188 [1,0,1,0,0,0|1,0,1]=4 728 B13R2.45 CCc1nn2ccccc2c1N Amb27965462 [1,0,1,0,0,0|1,0,1]=4 729 B13R2.45 CCc1oc2ccccc2c1Br Amb10569511 [1,0,1,0,0,0|2,0,0]=4 730 B13R2.45 CCc1sc2ccccc2c1C Amb27186788 [1,0,1,0,0,0|1,0,0]=3 731 B13R2.45 CCn1nc2ccccc2c1C Amb27445629 [1,0,1,0,0,0|1,0,1]=4 732 B13R2.45 CCn1nc2ccccc2c1N Amb27842296 [1,0,1,0,0,0|1,0,1]=4 733 B13R2.45 COc1sc2ccccc2c1C Amb27634358 [1,0,1,0,0,0|2,0,0]=4 734 B13R2.45 Cc1c(CBr)oc2ccccc12 Amb26953529 [1,0,1,0,0,0|2,0,0]=4 735 B13R2.45 Cc1c(CCl)oc2ccccc12 Amb19649864 [1,0,1,0,0,0|2,0,0]=4 736 B13R2.45 Cc1c(CCl)sc2ccccc12 Amb26452002 [1,0,1,0,0,0|2,0,0]=4 737 B13R2.45 Cc1c(CN)nc2ccccn12 Amb25301944 [1,0,1,0,0,0|1,0,1]=4 738 B13R2.45 Cc1c(CN)oc2ccccc12 Amb15701585 [1,0,1,0,0,0|1,0,0]=3 739 B13R2.45 Cc1c(CN)oc2ccccc12 Amb35788738 [1,0,1,0,0,0|1,0,0]=3 740 B13R2.45 Cc1c(CO)oc2ccccc12 Amb18554026 [1,0,1,0,0,0|2,0,0]=4 741 B13R2.45 Cc1c(CO)sc2ccccc12 Amb3430711 [1,0,1,0,0,0|2,0,0]=4 742 B13R2.45 Cc1c(CS)oc2ccccc12 Amb33372615 [1,0,1,0,0,0|2,0,0]=4 743 B13R2.45 Cn1c(CN)cc2ccccc21 Amb10071078 [1,0,1,0,0,0|2,0,0]=4 744 B13R2.45 Cn1c(CN)nc2ccccc21 Amb1154126 [1,0,1,0,0,0|1,0,1]=4 745 B13R2.45 Cn1c(CN)nc2ccccc21 Amb17622265 [1,0,1,0,0,0|1,0,1]=4 746 B13R2.45 Cn1c(CN)nc2ccccc21 Amb2371158 [1,0,1,0,0,0|1,0,1]=4 747 B13R2.45 NCC1=Cc2ccccc2C1=O Amb27466253 [1,0,1,0,0,0|2,0,0]=4 748 B13R2.45 NCc1oc2ccccc2c1Br Amb27796056 [1,0,1,0,0,0|2,0,0]=4 749 B13R2.45 NCc1oc2ccccc2c1O Amb27641904 [1,0,1,0,0,0|2,0,0]=4 750 B13R2.45 NCc1sc2ccccc2c1Br Amb2614560 [1,0,1,0,0,0|2,0,0]=4 751 B13R2.45 NCc1sc2ccccc2c1Cl Amb22586794 [1,0,1,0,0,0|2,0,0]=4 752 B13R2.45 NCc1sc2ccccc2c1N Amb23402513 [1,0,1,0,0,0|2,0,0]=4 753 B13R2.45 NCc1sc2ccccc2c1O Amb27624946 [1,0,1,0,0,0|2,0,0]=4 754 B13R2.45 N\C=C1\Nc2ccccc2C1=O Amb2637551 [1,0,1,0,0,0|1,0,1]=4 755 B13R2.45 Nc1c(CBr)sc2ccccc12 Amb27986113 [1,0,1,0,0,0|2,0,0]=4 756 B13R2.45 Nc1c(CO)sc2ccccc12 Amb23403643 [1,0,1,0,0,0|2,0,0]=4 757 B13R2.135 CCC1C(=O)Nc2ccccc21 Amb33544575 [1,0,1,0,0,0|1,0,1]=4 758 B13R2.135 CCC1c2ccccc2NC1C Amb24308998 [1,0,1,0,0,0|0,0,2]=4 759 B13R2.135 CCN1=C(C)Sc2ccccc21 Amb17770096 [1,0,1,0,0,0|2,0,0]=4 760 B13R2.135 CCN1C(=O)Nc2ccccc21 Amb18034265 [1,0,1,0,0,0|2,0,0]=4 761 B13R2.135 CCN1C(=S)Nc2ccccc21 Amb19866712 [1,0,1,0,0,0|2,0,0]=4 762 B13R2.135 CC[C@H]1c2ccccc2N[C@H]1C Amb27441788 [1,0,1,0,0,0|0,0,2]=4 763 B13R2.135 CC[n+]1c(C)oc2ccccc21 Amb4019873 [1,0,1,0,0,0|2,0,0]=4 764 B13R2.135 CC[n+]1c(C)sc2ccccc21 Amb4322943 [1,0,1,0,0,0|2,0,0]=4 765 B13R2.135 CC[n+]1c(C)sc2ccccc21 Amb616049 [1,0,1,0,0,0|2,0,0]=4 766 B13R2.135 CCc1c(Br)oc2ccccc12 Amb18754591 [1,0,1,0,0,0|2,0,0]=4 767 B13R2.135 CCc1c(C)cn2ccccc12 Amb27667224 [1,0,1,0,0,0|2,0,0]=4 768 B13R2.135 CCc1c(C)sc2ccccc12 Amb27962459 [1,0,1,0,0,0|1,0,0]=3 769 B13R2.135 CCc1c(S)sc2ccccc12 Amb27200139 [1,0,1,0,0,0|2,0,0]=4 770 B13R2.135 CCn1c(C)cc2ccccc21 Amb6773014 [1,0,1,0,0,0|2,0,0]=4 771 B13R2.135 CNC1C(=O)Nc2ccccc21 Amb1113865 [1,0,1,0,0,0|1,0,1]=4 772 B13R2.135 CNN1C(=O)Nc2ccccc21 Amb27640738 [1,0,1,0,0,0|2,0,0]=4 773 B13R2.135 CNN1C(=S)Nc2ccccc21 Amb24757546 [1,0,1,0,0,0|2,0,0]=4 774 B13R2.135 CNc1c(C)nc2ccccn12 Amb28138906 [1,0,1,0,0,0|1,0,1]=4 775 B13R2.135 CNc1c(N)sc2ccccc12 Amb27390792 [1,0,1,0,0,0|2,0,0]=4 776 B13R2.135 Cc1cc2ccccn2c1CN Amb10879958 [1,0,1,0,0,0|2,0,0]=4 777 B13R2.135 Cc1nc2ccccn2c1CN Amb33532597 [1,0,1,0,0,0|1,0,1]=4 778 B13R2.135 Cc1oc2ccccc2c1CN Amb24061887 [1,0,1,0,0,0|1,0,0]=3 779 B13R2.135 Cc1oc2ccccc2c1CO Amb22011694 [1,0,1,0,0,0|2,0,0]=4 780 B13R2.135 Cc1oc2ccccc2c1CS Amb32788223 [1,0,1,0,0,0|2,0,0]=4 781 B13R2.135 Cc1sc2ccccc2c1CCl Amb8385138 [1,0,1,0,0,0|2,0,0]=4 782 B13R2.135 Cc1sc2ccccc2c1CN Amb33613289 [1,0,1,0,0,0|1,0,0]=3 783 B13R2.135 Cc1sc2ccccc2c1CO Amb26363790 [1,0,1,0,0,0|2,0,0]=4 784 B13R2.135 Cn1nc2ccccc2c1CN Amb33312484 [1,0,1,0,0,0|1,0,1]=4 785 B13R2.135 NCC1C(=O)Nc2ccccc21 Amb22001506 [1,0,1,0,0,0|1,0,1]=4 786 B13R2.135 NCC1C(=O)Nc2ccccc21 Amb3941289 [1,0,1,0,0,0|1,0,1]=4 787 B13R2.135 NCc1c(Cl)oc2ccccc12 Amb26967340 [1,0,1,0,0,0|2,0,0]=4 788 B13R2.135 NCc1c(Cl)oc2ccccc12 Amb32668148 [1,0,1,0,0,0|2,0,0]=4 789 B13R2.135 N\C=C1/C(=S)Nc2ccccc21 Amb24415265 [1,0,1,0,0,0|1,0,1]=4 790 B13R2.135 N\C=C1\C(=O)Nc2ccccc21 Amb27204232 [1,0,1,0,0,0|1,0,1]=4 791 B13R2.135 N\N=C1/C(=O)Nc2ccccc21 Amb19959966 [1,0,1,0,0,0|2,0,0]=4 792 B15R2.4 CCC(N)Cc1csc2ccccc12 Amb19649477 [0,1,1,0,0,0|2,0,0]=4 793 B15R2.5 C#CCNCc1csc2ccccc12 Amb18334428 [0,1,1,0,0,0|1,0,1]=4 794 B15R2.5 CCCNCc1csc2ccccc12 Amb19649472 [0,1,1,0,0,0|1,0,0]=3 795 B15R2.5 CCNCCn1cnc2ccccc21 Amb9339075 [0,1,1,0,0,0|1,0,1]=4 796 B15R2.5 NCCCCc1csc2ccccc12 Amb33172230 [0,1,1,0,0,0|2,0,0]=4 797 B15R2.5 OCCNCc1csc2ccccc12 Amb19027876 [0,1,1,0,0,0|1,0,0]=3 798 B15R2.6 CC(Br)CCc1coc2ccccc12 Amb35704104 [0,1,1,0,0,0|2,0,0]=4 799 B15R2.6 CC(C)NCc1cnn2ccccc12 Amb27414112 [0,1,1,0,0,0|1,0,1]=4 800 B15R2.6 CC(C)NCc1coc2ccccc12 Amb19649833 [0,1,1,0,0,0|1,0,0]=3 801 B15R2.6 CC(C)NCc1csc2ccccc12 Amb19649474 [0,1,1,0,0,0|1,0,0]=3 802 B15R2.6 CC(N)CCc1csc2ccccc12 Amb26597936 [0,1,1,0,0,0|2,0,0]=4 803 B15R2.6 CC(O)CCc1csc2ccccc12 Amb24401820 [0,1,1,0,0,0|2,0,0]=4 804 B15R2.6 C[C@@H](N)CCc1csc2ccccc12 Amb33312709 [0,1,1,0,0,0|2,0,0]=4 805 B15R2.6 C[C@@H](O)CCc1csc2ccccc12 Amb33312710 [0,1,1,0,0,0|2,0,0]=4 806 B15R2.6 C[C@H](N)CCc1csc2ccccc12 Amb33312708 [0,1,1,0,0,0|2,0,0]=4 807 B15R2.6 C[C@H](O)CCc1csc2ccccc12 Amb33225760 [0,1,1,0,0,0|2,0,0]=4 808 B15R2.65 CCNCc1coc2c(Cl)cccc12 Amb27201531 [0,1,1,0,0,0|1,0,0]=3 809 B15R2.73 CCCC(Cl)c1coc2ccccc12 Amb35704192 [0,1,1,0,0,0|2,0,0]=4 810 B15R2.73 CCCC(N)c1coc2ccccc12 Amb27748262 [0,1,1,0,0,0|2,0,0]=4 811 B15R2.73 CCC[C@@H](O)c1coc2ccccc12 Amb27252696 [0,1,1,0,0,0|2,0,0]=4 812 B15R2.73 CCNC(C)c1cnn2ccccc12 Amb27952709 [0,1,1,0,0,0|1,0,1]=4 813 B15R2.73 CCNC(C)c1csc2ccccc12 Amb9352340 [0,1,1,0,0,0|1,0,0]=3 814 B15R2.1428 CCNCc1cn(C)c2ccccc12 Amb18564549 [0,1,1,0,0,0|0,0,0]=2 815 B15R2.1428 CCNCc1cn(C)c2ccccc12 Amb21969135 [0,1,1,0,0,0|0,0,0]=2 816 B15R2.1428 CNCCc1cn(C)c2ccccc12 Amb17193963 [0,1,1,0,0,0|2,0,0]=4 817 B15R2.1428 CONCc1cn(C)c2ccccc12 Amb27198481 [0,1,1,0,0,0|1,0,0]=3 818 B15R2.1428 Cn1cc(CCCBr)c2ccccc21 Amb27242506 [0,1,1,0,0,0|2,0,0]=4 819 B15R2.1428 Cn1cc(CCCN)c2ccccc21 Amb3788419 [0,1,1,0,0,0|2,0,0]=4 820 B15R2.1428 Cn1cc(CCCO)c2ccccc21 Amb17594923 [0,1,1,0,0,0|2,0,0]=4 821 B15R2.1428 Cn1cc(CCCS)c2ccccc21 Amb27205402 [0,1,1,0,0,0|2,0,0]=4 822 B15R2.1435 CCCCN1C(=N)Nc2ccccc21 Amb22388935 [0,1,1,0,0,0|2,0,0]=4 823 B15R2.1435 CCCCN1C(=O)Nc2ccccc21 Amb18537190 [0,1,1,0,0,0|2,0,0]=4 824 B15R2.1435 CCCCN1C(=S)Nc2ccccc21 Amb20032804 [0,1,1,0,0,0|2,0,0]=4 825 B15R2.1435 CCC\C=C1\C(=O)Nc2ccccc21 Amb27791984 [0,1,1,0,0,0|1,0,1]=4 826 B15R2.1435 CCC\N=C1\C(=O)Nc2ccccc21 Amb27635026 [0,1,1,0,0,0|2,0,0]=4 827 B15R2.1435 CCNCc1c(C)nc2ccccn12 Amb9621224 [0,1,1,0,0,0|1,0,1]=4 828 B15R2.1435 CCOCc1c(C)sc2ccccc12 Amb27613182 [0,1,1,0,0,0|2,0,0]=4 829 B15R2.1435 CCO\C=C1\C(=O)Nc2ccccc21 Amb21949987 [0,1,1,0,0,0|1,0,1]=4 830 B15R2.1435 CONCc1c(Cl)oc2ccccc12 Amb27418466 [0,1,1,0,0,0|2,0,0]=4 831 B15R2.17667 CCNCc1cnc2cccc(C)n12 Amb27207553 [0,1,1,0,0,0|1,0,1]=4 832 B15R2.17719 CCCCc1csc2ccc(Cl)cc12 Amb27642747 [0,1,1,0,0,0|2,0,0]=4 833 B15R2.17719 CCNCc1cnn2ccc(C)cc12 Amb23449150 [0,1,1,0,0,0|1,0,1]=4 834 B15R2.17719 CCNCc1coc2ccc(Cl)cc12 Amb27957550 [0,1,1,0,0,0|1,0,0]=3 835 B15R2.17719 CCNCc1coc2ccc(F)cc12 Amb27651975 [0,1,1,0,0,0|1,0,0]=3 836 B15R2.29 Brc1ccc(C=C2CCNCC2)cc1 Amb26953288 [0,1,1,0,0,0|1,0,1]=4 837 B15R2.29 Brc1ccc(NC2CCNCC2)cc1 Amb19748583 [0,1,1,0,0,0|0,0,2]=4 838 B15R2.29 CN1CCC(Nc2ccccc2)CC1 Amb4303661 [0,1,1,0,0,0|0,0,2]=4 839 B15R2.29 Cc1ccc(C=C2CCNCC2)cc1 Amb25063542 [0,1,1,0,0,0|1,0,1]=4 840 B15R2.29 Cc1ccc(NC2=NCCCC2)cc1 Amb27984356 [0,1,1,0,0,0|2,0,0]=4 841 B15R2.29 Cc1ccc(NC2CCNCC2)cc1 Amb13952410 [0,1,1,0,0,0|0,0,2]=4 842 B15R2.29 Clc1ccc(C=C2CCNCC2)cc1 Amb25067596 [0,1,1,0,0,0|1,0,1]=4 843 B15R2.29 Clc1ccc(NC2CCNCC2)cc1 Amb2693973 [0,1,1,0,0,0|0,0,2]=4 844 B15R2.29 Fc1ccc(C=C2CCNCC2)cc1 Amb22229609 [0,1,1,0,0,0|1,0,1]=4 845 B15R2.29 Fc1ccc(NC2=NCCCC2)cc1 Amb28396445 [0,1,1,0,0,0|2,0,0]=4 846 B15R2.29 Fc1ccc(NC2CCNCC2)cc1 Amb10609462 [0,1,1,0,0,0|0,0,2]=4 847 B15R2.29 Fc1ccc(NC2CCNCC2)cc1 Amb1085876 [0,1,1,0,0,0|0,0,2]=4 848 B15R2.29 Ic1ccc(C=C2CCNCC2)cc1 Amb27668406 [0,1,1,0,0,0|1,0,1]=4 849 B15R2.29 Nc1ccc(NC2CCNCC2)cc1 Amb25880778 [0,1,1,0,0,0|0,0,2]=4 850 B15R2.29 Oc1ccc(NC2CCNCC2)cc1 Amb27213123 [0,1,1,0,0,0|0,0,2]=4 851 B15R2.31 Brc1cccc(C=C2CCNCC2)c1 Amb26634653 [0,1,1,0,0,0|1,0,1]=4 852 B15R2.31 Brc1cccc(NC2CCNCC2)c1 Amb19748584 [0,1,1,0,0,0|0,0,2]=4 853 B15R2.31 Brc1cccc(NC2CCNCC2)c1 Amb33534661 [0,1,1,0,0,0|0,0,2]=4 854 B15R2.31 CC1CC(Nc2ccccc2)CCN1 Amb26643005 [0,1,1,0,0,0|0,0,2]=4 855 B15R2.31 CC1C\C(=C\c2ccccc2)CCN1 Amb35734546 [0,1,1,0,0,0|1,0,1]=4 856 B15R2.31 Cc1cccc(C=C2CCNCC2)c1 Amb26069226 [0,1,1,0,0,0|1,0,1]=4 857 B15R2.31 Cc1cccc(NC2CCNCC2)c1 Amb18281592 [0,1,1,0,0,0|0,0,2]=4 858 B15R2.31 Clc1cccc(C=C2CCNCC2)c1 Amb25346652 [0,1,1,0,0,0|1,0,1]=4 859 B15R2.31 Clc1cccc(NC2=NCCCC2)c1 Amb27658606 [0,1,1,0,0,0|2,0,0]=4 860 B15R2.31 Clc1cccc(NC2CCNCC2)c1 Amb2694018 [0,1,1,0,0,0|0,0,2]=4 861 B15R2.31 Fc1cccc(C=C2CCNCC2)c1 Amb10609076 [0,1,1,0,0,0|1,0,1]=4 862 B15R2.31 Fc1cccc(C=C2CCNCC2)c1 Amb9202144 [0,1,1,0,0,0|1,0,1]=4 863 B15R2.31 Fc1cccc(NC2CCNCC2)c1 Amb21864766 [0,1,1,0,0,0|0,0,2]=4 864 B15R2.31 Fc1cccc(NC2CCNCC2)c1 Amb2694019 [0,1,1,0,0,0|0,0,2]=4 865 B15R2.31 O=C1C=C(Nc2ccccc2)CCC1 Amb654719 [0,1,1,0,0,0|1,0,1]=4 866 B15R2.38 Brc1ccccc1C=C2CCNCC2 Amb24752601 [0,1,1,0,0,0|1,0,1]=4 867 B15R2.38 Brc1ccccc1NC2CCNCC2 Amb19748586 [0,1,1,0,0,0|0,0,2]=4 868 B15R2.38 CC1CCCC=C1Nc2ccccc2 Amb27455012 [0,1,1,0,0,0|1,0,0]=3 869 B15R2.38 CC1CNCCC1Nc2ccccc2 Amb25106784 [0,1,1,0,0,0|0,0,2]=4 870 B15R2.38 CC1CNCC\C1=C/c2ccccc2 Amb26360462 [0,1,1,0,0,0|1,0,1]=4 871 B15R2.38 C[C@H]1CNCC[C@H]1Nc2ccccc2 Amb25259185 [0,1,1,0,0,0|0,0,2]=4 872 B15R2.38 Cc1ccccc1C=C2CCNCC2 Amb26512656 [0,1,1,0,0,0|1,0,1]=4 873 B15R2.38 Cc1ccccc1NC2CCNCC2 Amb13951869 [0,1,1,0,0,0|0,0,2]=4 874 B15R2.38 Clc1ccccc1C=C2CCNCC2 Amb24437064 [0,1,1,0,0,0|1,0,1]=4 875 B15R2.38 Clc1ccccc1NC2=NCCCC2 Amb27425474 [0,1,1,0,0,0|2,0,0]=4 876 B15R2.38 Clc1ccccc1NC2CCNCC2 Amb2694013 [0,1,1,0,0,0|0,0,2]=4 877 B15R2.38 Fc1ccccc1C=C2CCNCC2 Amb20668021 [0,1,1,0,0,0|1,0,1]=4 878 B15R2.38 Fc1ccccc1C=C2CCNCC2 Amb22059718 [0,1,1,0,0,0|1,0,1]=4 879 B15R2.38 Fc1ccccc1NC2=NCCCC2 Amb27602429 [0,1,1,0,0,0|2,0,0]=4 880 B15R2.38 Fc1ccccc1NC2CCNCC2 Amb2694027 [0,1,1,0,0,0|0,0,2]=4 881 B15R2.38 Ic1ccccc1NC2=NCCCC2 Amb28385350 [0,1,1,0,0,0|2,0,0]=4 882 B15R2.38 NC1CCCC=C1Cc2ccccc2 Amb18129721 [0,1,1,0,0,0|2,0,0]=4 883 B15R2.38 O=C1CCCCC1Nc2ccccc2 Amb6345715 [0,1,1,0,0,0|1,0,1]=4 884 B15R2.38 O=C1CCCC\C1=C/c2ccccc2 Amb33513197 [0,1,1,0,0,0|2,0,0]=4 885 B15R2.38 O=C1CNCCN1Cc2ccccc2 Amb2695573 [0,1,1,0,0,0|2,0,0]=4 886 B15R2.38 O=C1CNCCN1Cc2ccccc2 Amb8630127 [0,1,1,0,0,0|2,0,0]=4 887 B15R2.38 O=C1CSCC=C1Nc2ccccc2 Amb28408975 [0,1,1,0,0,0|1,0,1]=4 888 B15R2.38 S=C1CNCCN1Cc2ccccc2 Amb25309578 [0,1,1,0,0,0|2,0,0]=4 889 B15R2.2226 CC(C1=CCNCC1)c2ccccc2 Amb25053955 [0,1,1,0,0,0|1,0,0]=3 890 B15R2.2226 CN(c1ccccc1)C2CCNCC2 Amb10609166 [0,1,1,0,0,0|0,0,2]=4 891 B15R2.2226 CN(c1ccccc1)C2CCNCC2 Amb20667588 [0,1,1,0,0,0|0,0,2]=4 892 B15R2.2226 CN(c1ccccc1)C2CCNCC2 Amb6264384 [0,1,1,0,0,0|0,0,2]=4 893 B15R2.2226 O=C(C1=CCCCC1)c2ccccc2 Amb19075776 [0,1,1,0,0,0|2,0,0]=4 894 B15R2.2226 O=S(C1=CCCCC1)c2ccccc2 Amb6359946 [0,1,1,0,0,0|2,0,0]=4 895 B15R2.21 CNc1ccccc1C2CCCNC2 Amb27945810 [0,1,1,0,0,0|0,0,2]=4 896 B15R2.21 COc1ccccc1C2=CCCCC2 Amb25690487 [0,1,1,0,0,0|2,0,0]=4 897 B15R2.21 COc1ccccc1C2=CCCNC2 Amb28460875 [0,1,1,0,0,0|1,0,0]=3 898 B15R2.21 COc1cccnc1C2=CCCNC2 Amb27200229 [0,1,1,0,0,0|2,0,0]=4 899 B15R2.21 CSc1ccccc1C2=CCCNC2 Amb35608884 [0,1,1,0,0,0|1,0,0]=3 900 B15R2.21 O=CC1=C(c2ccccc2)CCCC1 Amb27957735 [0,1,1,0,0,0|2,0,0]=4 901 B15R2.21 O=Cc1ccccc1C2=CCCCC2 Amb26571171 [0,1,1,0,0,0|2,0,0]=4 902 B15R2.21 O=Cc1ccccc1C2=CCCOC2 Amb33041357 [0,1,1,0,0,0|2,0,0]=4 903 B15R2.21 OCc1ccccc1C2=CCCCC2 Amb27651823 [0,1,1,0,0,0|2,0,0]=4 904 B15R2.32 CC1=C(c2ccccc2)CCCC1O Amb27835154 [0,1,1,0,0,0|2,0,0]=4 905 B15R2.32 Cc1cccc(C2=CCCCC2)c1O Amb28365209 [0,1,1,0,0,0|2,0,0]=4 906 B15R2.32 Cc1cccc(C2CCCNC2)c1N Amb27490748 [0,1,1,0,0,0|0,0,2]=4 907 B15R2.32 NC1=C(c2ccccc2)CCCC1=O Amb27758644 [0,1,1,0,0,0|1,0,1]=4 908 B15R2.32 Nc1c(C2=CCCCC2)ccnc1Cl Amb33078244 [0,1,1,0,0,0|2,0,0]=4 909 B15R2.32 Nc1cccc(C2=CCCCC2)c1Cl Amb35718465 [0,1,1,0,0,0|2,0,0]=4 910 B15R2.32 Nc1cccc(C2=CCCCC2)c1F Amb29869707 [0,1,1,0,0,0|2,0,0]=4 911 B15R2.32 Nc1ccnc(C2=CCCCC2)c1N Amb33078247 [0,1,1,0,0,0|2,0,0]=4 912 B15R2.33 CN1CCC(=O)C(c2ccccc2)C1 Amb21963612 [0,1,1,0,0,0|1,0,1]=4 913 B15R2.33 CN1CCN(N)C(c2ccccc2)C1 Amb27964368 [0,1,1,0,0,0|1,0,1]=4 914 B15R2.33 CN1CC[C@H](N)[C@H](c2ccccc2)C1 Amb27632406 [0,1,1,0,0,0|0,0,2]=4 915 B15R2.33 Cc1ccc(N)c(C2=CCCCC2)c1 Amb28074127 [0,1,1,0,0,0|1,0,0]=3 916 B15R2.33 Cc1ccc(N)c(C2CCCNC2)c1 Amb27781088 [0,1,1,0,0,0|0,0,2]=4 917 B15R2.33 Cc1ccc(N)c([C@H]2CCCNC2)c1 Amb28347798 [0,1,1,0,0,0|0,0,2]=4 918 B15R2.33 Fc1ccc(Br)cc1C2=CCCNC2 Amb27949713 [0,1,1,0,0,0|1,0,0]=3 919 B15R2.33 Fc1ccc(Cl)c(C2=CCCNC2)c1 Amb27389766 [0,1,1,0,0,0|1,0,0]=3 920 B15R2.33 Fc1ccc(F)c(C2=CCCNC2)c1 Amb28120304 [0,1,1,0,0,0|1,0,0]=3 921 B15R2.33 Nc1ccc(Br)cc1[C@@H]2CCCNC2 Amb27759476 [0,1,1,0,0,0|0,0,2]=4 922 B15R2.33 Nc1ccc(Cl)cc1C2=CCCCC2 Amb27257771 [0,1,1,0,0,0|1,0,0]=3 923 B15R2.33 Nc1ccc(Cl)cc1C2CCCNC2 Amb28428502 [0,1,1,0,0,0|0,0,2]=4 924 B15R2.33 Nc1ccc(F)cc1[C@@H]2CCCNC2 Amb27258026 [0,1,1,0,0,0|0,0,2]=4 925 B15R2.33 Nc1ccc(F)cc1[C@H]2CCCNC2 Amb27830512 [0,1,1,0,0,0|0,0,2]=4 926 B15R2.33 Nc1ccc(I)cc1[C@@H]2CCCNC2 Amb27817666 [0,1,1,0,0,0|0,0,2]=4 927 B15R2.33 Nc1ccc(I)cc1[C@H]2CCCNC2 Amb27224984 [0,1,1,0,0,0|0,0,2]=4 928 B15R2.33 Nc1ccc(N)c([C@@H]2CCCNC2)c1 Amb27947508 [0,1,1,0,0,0|0,0,2]=4 929 B15R2.33 Nc1ccc(O)cc1[C@@H]2CCCNC2 Amb28239554 [0,1,1,0,0,0|0,0,2]=4 930 B15R2.33 Oc1ccc(Br)cc1C2=CCCCC2 Amb23441400 [0,1,1,0,0,0|2,0,0]=4 931 B15R2.33 Oc1ccc(Cl)cc1C2=CCCCC2 Amb23441398 [0,1,1,0,0,0|2,0,0]=4 932 B15R2.308 CC1=C(c2ccc(Br)cn2)CNCC1 Amb35640895 [0,1,1,0,0,0|2,0,0]=4 933 B15R2.308 CC1=C(c2ccc(C)cc2)CNCC1 Amb27418618 [0,1,1,0,0,0|1,0,0]=3 934 B15R2.308 CC1CC=C(c2cccnc2N)CC1 Amb27792759 [0,1,1,0,0,0|2,0,0]=4 935 B15R2.308 CC1CC=C(c2ccncc2N)CC1 Amb27605650 [0,1,1,0,0,0|2,0,0]=4 936 B15R2.308 CC1CC=C(c2cnccc2N)CC1 Amb27795651 [0,1,1,0,0,0|2,0,0]=4 937 B15R2.308 CN1CC=C(c2ccccc2N)CC1 Amb17107103 [0,1,1,0,0,0|2,0,0]=4 938 B15R2.308 Cc1ccc(C2CNCCC2=O)cc1 Amb18820007 [0,1,1,0,0,0|1,0,1]=4 939 B15R2.308 Nc1ncccc1C2=CCC(N)CC2 Amb28125280 [0,1,1,0,0,0|2,0,0]=4 940 B15R2.308 O=C1CCNCC1c2ccc(Cl)cc2 Amb18774614 [0,1,1,0,0,0|1,0,1]=4 941 B15R2.308 O=C1CCNCC1c2ccc(F)cc2 Amb18816272 [0,1,1,0,0,0|1,0,1]=4 942 B15R2.308 O=C1CCNCC1c2ccc(O)cc2 Amb18818484 [0,1,1,0,0,0|1,0,1]=4 943 B15R2.332 CC1=C(c2cccc(C)c2)CNCC1 Amb27418620 [0,1,1,0,0,0|1,0,0]=3 944 B15R2.332 CC1=C(c2cccc(F)c2)CNCC1 Amb27412676 [0,1,1,0,0,0|1,0,0]=3 945 B15R2.332 CN1CCNC(c2ccccc2N)=N1 Amb17594969 [0,1,1,0,0,0|2,0,0]=4 946 B15R2.332 Cc1cccc(C2CNCCC2=O)c1 Amb18820005 [0,1,1,0,0,0|1,0,1]=4 947 B15R2.332 Cc1ccccc1C2=CC(N)CNC2 Amb32989634 [0,1,1,0,0,0|1,0,0]=3 948 B15R2.332 Cc1ccccc1C2=CC(O)CNC2 Amb32989245 [0,1,1,0,0,0|1,0,0]=3 949 B15R2.332 Cc1ccncc1C2=CC(Cl)CNC2 Amb32988981 [0,1,1,0,0,0|2,0,0]=4 950 B15R2.332 Cc1ccncc1C2=CC(N)CNC2 Amb32989526 [0,1,1,0,0,0|2,0,0]=4 951 B15R2.332 Cc1ccncc1C2=CC(O)CNC2 Amb32989264 [0,1,1,0,0,0|2,0,0]=4 952 B15R2.332 Cc1ncccc1C2=CC(Cl)CNC2 Amb32989116 [0,1,1,0,0,0|2,0,0]=4 953 B15R2.332 Cc1ncccc1C2=CC(N)CNC2 Amb32989252 [0,1,1,0,0,0|2,0,0]=4 954 B15R2.332 Cc1ncccc1C2=CC(O)CNC2 Amb32989415 [0,1,1,0,0,0|2,0,0]=4 955 B15R2.332 Fc1cnccc1C2=CC(Cl)CNC2 Amb32989018 [0,1,1,0,0,0|2,0,0]=4 956 B15R2.332 NC1C=C(c2ccccc2Cl)CNC1 Amb32989637 [0,1,1,0,0,0|1,0,0]=3 957 B15R2.332 NC1C=C(c2ccccc2F)CNC1 Amb32989565 [0,1,1,0,0,0|1,0,0]=3 958 B15R2.332 NC1C=C(c2ccncc2F)CNC1 Amb32989527 [0,1,1,0,0,0|2,0,0]=4 959 B15R2.332 NC1CCNCC1c2cccc(F)c2 Amb27792197 [0,1,1,0,0,0|0,0,2]=4 960 B15R2.332 Nc1cccc(C2CNCCC2N)c1 Amb33501041 [0,1,1,0,0,0|0,0,2]=4 961 B15R2.332 Nc1ccccc1C2=CC(=O)CCC2 Amb24652468 [0,1,1,0,0,0|1,0,1]=4 962 B15R2.332 Nc1ccncc1C2=CC(Cl)CNC2 Amb32988983 [0,1,1,0,0,0|1,0,0]=3 963 B15R2.332 Nc1ccncc1C2=CC(N)CNC2 Amb32989552 [0,1,1,0,0,0|1,0,0]=3 964 B15R2.332 Nc1ccncc1C2=CC(O)CNC2 Amb32989126 [0,1,1,0,0,0|1,0,0]=3 965 B15R2.332 Nc1ncccc1C2=CC(Cl)CNC2 Amb32988982 [0,1,1,0,0,0|1,0,0]=3 966 B15R2.332 Nc1ncccc1C2=CC(N)CCC2 Amb27755892 [0,1,1,0,0,0|2,0,0]=4 967 B15R2.332 Nc1ncccc1C2=CC(N)CNC2 Amb32989434 [0,1,1,0,0,0|1,0,0]=3 968 B15R2.332 Nc1ncccc1C2=CC(O)CCC2 Amb27976486 [0,1,1,0,0,0|2,0,0]=4 969 B15R2.332 Nc1ncccc1C2=CC(O)CNC2 Amb32989138 [0,1,1,0,0,0|1,0,0]=3 970 B15R2.332 O=C1CCNCC1c2cccc(Cl)c2 Amb18774613 [0,1,1,0,0,0|1,0,1]=4 971 B15R2.332 O=C1CCNCC1c2cccc(F)c2 Amb18816273 [0,1,1,0,0,0|1,0,1]=4 972 B15R2.332 OC1C=C(c2ccccc2Cl)CNC1 Amb32988723 [0,1,1,0,0,0|1,0,0]=3 973 B15R2.332 OC1C=C(c2ccccc2F)CNC1 Amb32989144 [0,1,1,0,0,0|1,0,0]=3 974 B15R2.332 OC1C=C(c2ccncc2F)CNC1 Amb32989165 [0,1,1,0,0,0|2,0,0]=4 975 B15R2.389 Cc1cc(N)ccc1C2=CCCCC2 Amb17107097 [0,1,1,0,0,0|2,0,0]=4 976 B15R2.389 Cc1cc(O)ccc1C2=CCCCC2 Amb28253691 [0,1,1,0,0,0|2,0,0]=4 977 B15R2.389 Cc1ccc(C2=CCCCC2)c(N)n1 Amb35713118 [0,1,1,0,0,0|2,0,0]=4 978 B15R2.389 Cc1ccc(C2CCCNC2)c(N)c1 Amb27228945 [0,1,1,0,0,0|0,0,2]=4 979 B15R2.389 Cc1ccc([C@H]2CCCNC2)c(N)c1 Amb27418196 [0,1,1,0,0,0|0,0,2]=4 980 B15R2.389 Cc1cnc(C2=CCCCC2)c(N)c1 Amb27622560 [0,1,1,0,0,0|2,0,0]=4 981 B15R2.389 Fc1cc(Cl)ccc1C2=CCCNC2 Amb27418655 [0,1,1,0,0,0|1,0,0]=3 982 B15R2.389 Fc1ccc(C2=CCCNC2)c(F)c1 Amb27418623 [0,1,1,0,0,0|1,0,0]=3 983 B15R2.389 Nc1cc(Br)ccc1C2CCCNC2 Amb27600780 [0,1,1,0,0,0|0,0,2]=4 984 B15R2.389 Nc1cc(Cl)ccc1C2CCCNC2 Amb27391881 [0,1,1,0,0,0|0,0,2]=4 985 B15R2.389 Nc1cc(Cl)cnc1C2=CCCCC2 Amb27209493 [0,1,1,0,0,0|2,0,0]=4 986 B15R2.389 Nc1cc(F)cnc1C2=CCCCC2 Amb33078223 [0,1,1,0,0,0|2,0,0]=4 987 B15R2.389 Nc1ccc(C2=CCCCC2)c(Cl)c1 Amb28203155 [0,1,1,0,0,0|2,0,0]=4 988 B15R2.389 Nc1ccc(C2=CCCCC2)c(F)c1 Amb28437247 [0,1,1,0,0,0|2,0,0]=4 989 B15R2.541 Fc1cncc(F)c1C2=CCCNC2 Amb35630215 [0,1,1,0,0,0|2,0,0]=4 990 B15R2.541 Nc1cccc(Br)c1C2CCCNC2 Amb28058928 [0,1,1,0,0,0|0,0,2]=4 991 B15R2.555 CC1=C(c2ccccc2Cl)CNCC1 Amb28290932 [0,1,1,0,0,0|1,0,0]=3 992 B15R2.555 CC1=C(c2ccncc2F)CNCC1 Amb27418659 [0,1,1,0,0,0|2,0,0]=4 993 B15R2.555 Cc1ccccc1C2CNCCC2=O Amb18820008 [0,1,1,0,0,0|1,0,1]=4 994 B15R2.555 NC1CCNCC1c2ccccc2O Amb28052988 [0,1,1,0,0,0|0,0,2]=4 995 B15R2.555 Nc1ccccc1N2CCCCC2=O Amb6255610 [0,1,1,0,0,0|2,0,0]=4 996 B15R2.555 O=C1CCNCC1c2ccccc2Cl Amb18774612 [0,1,1,0,0,0|1,0,1]=4 997 B15R2.555 O=C1CCNCC1c2ccccc2F Amb18816274 [0,1,1,0,0,0|1,0,1]=4 998 B15R2.89 C#CCCc1oc2ccccc2c1C Amb33372974 [0,1,1,0,0,0|2,0,0]=4 999 B15R2.89 CC1\C(=C\CCN)Cc2ccccc21 Amb35672056 [0,1,1,0,0,0|1,0,1]=4 1000 B15R2.89 CCNCc1oc2ccccc2c1C Amb18055207 [0,1,1,0,0,0|2,0,0]=4 1001 B15R2.89 CNCCc1cc2ccccc2n1C Amb33345383 [0,1,1,0,0,0|2,0,0]=4 1002 B15R2.89 CNCCc1nc2ccccc2n1C Amb17092623 [0,1,1,0,0,0|1,0,1]=4 1003 B15R2.89 CNCCc1oc2ccccc2c1C Amb33424916 [0,1,1,0,0,0|1,0,0]=3 1004 B15R2.89 CNCCc1oc2ccccc2c1Cl Amb27851754 [0,1,1,0,0,0|2,0,0]=4 1005 B15R2.89 Cc1c(CCC#N)oc2ccccc12 Amb33424909 [0,1,1,0,0,0|1,0,1]=4 1006 B15R2.89 Cc1c(CCC=O)oc2ccccc12 Amb33372970 [0,1,1,0,0,0|2,0,0]=4 1007 B15R2.89 Cc1c(CCCBr)oc2ccccc12 Amb33485087 [0,1,1,0,0,0|2,0,0]=4 1008 B15R2.89 Cc1c(CCCCl)oc2ccccc12 Amb28208246 [0,1,1,0,0,0|2,0,0]=4 1009 B15R2.89 Cc1c(CCCN)oc2ccccc12 Amb18554083 [0,1,1,0,0,0|1,0,0]=3 1010 B15R2.89 Cc1c(CCCO)oc2ccccc12 Amb33372971 [0,1,1,0,0,0|2,0,0]=4 1011 B15R2.89 Cc1c(CCCS)oc2ccccc12 Amb33372613 [0,1,1,0,0,0|2,0,0]=4 1012 B15R2.89 Cc1c(CCON)oc2ccccc12 Amb33373384 [0,1,1,0,0,0|1,0,0]=3 1013 B15R2.89 Cc1c(OCCN)oc2ccccc12 Amb33372623 [0,1,1,0,0,0|1,0,0]=3 1014 B15R2.89 Cc1c(\C=C\CN)oc2ccccc12 Amb33373009 [0,1,1,0,0,0|1,0,1]=4 1015 B15R2.89 Cc1c2ccccc2nn1CCCN Amb23441250 [0,1,1,0,0,0|1,0,1]=4 1016 B15R2.89 Cn1c(CCCN)cc2ccccc21 Amb25327098 [0,1,1,0,0,0|2,0,0]=4 1017 B15R2.89 Cn1c(CCCN)nc2ccccc21 Amb15741150 [0,1,1,0,0,0|1,0,1]=4 1018 B15R2.89 Cn1c(CCCN)nc2ccccc21 Amb17622181 [0,1,1,0,0,0|1,0,1]=4 1019 B15R2.89 Cn1c(CCCN)nc2ccccc21 Amb21955726 [0,1,1,0,0,0|1,0,1]=4 1020 B15R2.89 Cn1c(CCCN)nc2ccccc21 Amb2693581 [0,1,1,0,0,0|1,0,1]=4 1021 B15R2.89 Cn1c(CCON)cc2ccccc21 Amb33344090 [0,1,1,0,0,0|2,0,0]=4 1022 B15R2.89 Cn1c(OCCN)cc2ccccc21 Amb33342114 [0,1,1,0,0,0|2,0,0]=4 1023 B15R2.89 [C-]#[N+]CCc1oc2ccccc2c1C Amb33422876 [0,1,1,0,0,0|1,0,1]=4 1024 B15R2.629 CC(N)Cc1nc2ccccc2n1C Amb2592088 [0,1,1,0,0,0|1,0,1]=4 1025 B15R2.629 C[C@@H](N)Cc1cc2ccccc2n1C Amb33343660 [0,1,1,0,0,0|2,0,0]=4 1026 B15R2.629 C[C@H](N)Cc1cc2ccccc2n1C Amb33343659 [0,1,1,0,0,0|2,0,0]=4 1027 B15R2.629 Cc1c(CC(=N)N)oc2ccccc12 Amb33372609 [0,1,1,0,0,0|1,0,1]=4 1028 B15R2.629 Cc1c(CC(C)Br)oc2ccccc12 Amb33336027 [0,1,1,0,0,0|2,0,0]=4 1029 B15R2.629 Cc1c(CC(C)O)oc2ccccc12 Amb18055214 [0,1,1,0,0,0|2,0,0]=4 1030 B15R2.629 Cc1c(CC(N)=O)oc2ccccc12 Amb18055208 [0,1,1,0,0,0|1,0,1]=4 1031 B15R2.629 Cc1c(CC(N)=S)oc2ccccc12 Amb33372357 [0,1,1,0,0,0|1,0,1]=4 1032 B15R2.629 Cc1c(C[C@@H](C)N)oc2ccccc12 Amb33373376 [0,1,1,0,0,0|1,0,0]=3 1033 B15R2.629 Cc1c(C[C@@H](C)O)oc2ccccc12 Amb33373373 [0,1,1,0,0,0|2,0,0]=4 1034 B15R2.629 Cc1c(C[C@H](C)N)oc2ccccc12 Amb33373375 [0,1,1,0,0,0|1,0,0]=3 1035 B15R2.629 Cc1c(C[C@H](C)O)oc2ccccc12 Amb33373374 [0,1,1,0,0,0|2,0,0]=4 1036 B15R2.889 CCc1c(CCN)oc2ccccc12 Amb18820003 [0,1,1,0,0,0|1,0,0]=3 1037 B15R2.889 CCn1c(CCN)nc2ccccc21 Amb19432150 [0,1,1,0,0,0|1,0,1]=4 1038 B15R2.889 CCn1c(CCN)nc2ccccc21 Amb5730472 [0,1,1,0,0,0|1,0,1]=4 1039 B15R2.889 CCn1c(CCN)nc2ccccc21 Amb8503462 [0,1,1,0,0,0|1,0,1]=4 1040 B15R2.889 COc1c(CCN)sc2ccccc12 Amb27802860 [0,1,1,0,0,0|1,0,0]=3 1041 B15R2.1592 C=C(CN)c1oc2ccccc2c1C Amb33373354 [0,1,1,0,0,0|1,0,1]=4 1042 B15R2.1592 CC(CN)c1cc2ccccc2n1C Amb33345384 [0,1,1,0,0,0|2,0,0]=4 1043 B15R2.1592 CC(CN)c1oc2ccccc2c1Br Amb28196565 [0,1,1,0,0,0|2,0,0]=4 1044 B15R2.1592 CC[C@@H](N)c1oc2ccccc2c1C Amb28423408 [0,1,1,0,0,0|2,0,0]=4 1045 B15R2.1592 CC[C@H](N)c1sc2ccccc2c1C Amb27167735 [0,1,1,0,0,0|2,0,0]=4 1046 B15R2.1592 Cc1c(C(=O)CN)oc2ccccc12 Amb18820527 [0,1,1,0,0,0|1,0,1]=4 1047 B15R2.1592 Cc1c(C(C)CBr)oc2ccccc12 Amb33336029 [0,1,1,0,0,0|2,0,0]=4 1048 B15R2.1592 Cc1c(C(C)CN)oc2ccccc12 Amb33424918 [0,1,1,0,0,0|1,0,0]=3 1049 B15R2.1592 Cc1c(C(C)ON)oc2ccccc12 Amb33373380 [0,1,1,0,0,0|2,0,0]=4 1050 B15R2.1592 Cc1c(C(F)CN)oc2ccccc12 Amb33422871 [0,1,1,0,0,0|1,0,0]=3 1051 B15R2.1592 Cc1c(C(N)CF)oc2ccccc12 Amb2372601 [0,1,1,0,0,0|2,0,0]=4 1052 B15R2.1592 Cc1c(C(N)CN)oc2ccccc12 Amb27596118 [0,1,1,0,0,0|1,0,0]=3 1053 B15R2.1592 Cc1c(C(N)CN)sc2ccccc12 Amb27866249 [0,1,1,0,0,0|1,0,0]=3 1054 B15R2.1592 Cc1c(C(N)CO)oc2ccccc12 Amb24671227 [0,1,1,0,0,0|2,0,0]=4 1055 B15R2.1592 Cc1c(C(O)CBr)oc2ccccc12 Amb33336035 [0,1,1,0,0,0|2,0,0]=4 1056 B15R2.1592 Cc1c(C(O)CCl)oc2ccccc12 Amb24521397 [0,1,1,0,0,0|2,0,0]=4 1057 B15R2.1592 Cc1c(C(O)CF)oc2ccccc12 Amb33373359 [0,1,1,0,0,0|2,0,0]=4 1058 B15R2.1592 Cc1c(C(O)CN)oc2ccccc12 Amb33424927 [0,1,1,0,0,0|1,0,0]=3 1059 B15R2.1592 Cc1c(C(O)CO)oc2ccccc12 Amb33373361 [0,1,1,0,0,0|2,0,0]=4 1060 B15R2.1592 Cc1c([C@@H](N)CO)oc2ccccc12 Amb28184168 [0,1,1,0,0,0|2,0,0]=4 1061 B15R2.1592 Cc1c([C@@H](N)CO)sc2ccccc12 Amb28323194 [0,1,1,0,0,0|2,0,0]=4 1062 B15R2.1592 Cc1c([C@@H](O)CN)oc2ccccc12 Amb33373664 [0,1,1,0,0,0|1,0,0]=3 1063 B15R2.1592 Cc1c([C@H](N)CO)oc2ccccc12 Amb25878122 [0,1,1,0,0,0|2,0,0]=4 1064 B15R2.1592 Cc1c([C@H](O)CCl)oc2ccccc12 Amb27387634 [0,1,1,0,0,0|2,0,0]=4 1065 B15R2.1592 Cc1c([C@H](O)CN)oc2ccccc12 Amb33225540 [0,1,1,0,0,0|1,0,0]=3 1066 B15R2.1592 Cn1c(C(F)CN)cc2ccccc21 Amb33344354 [0,1,1,0,0,0|2,0,0]=4 1067 B15R2.1592 Cn1c(C(O)CN)cc2ccccc21 Amb18819229 [0,1,1,0,0,0|2,0,0]=4 1068 B15R2.1592 Cn1c([C@@H](N)CN)cc2ccccc21 Amb28132630 [0,1,1,0,0,0|2,0,0]=4 1069 B15R2.1592 Cn1c([C@@H](O)CN)cc2ccccc21 Amb33344353 [0,1,1,0,0,0|2,0,0]=4 1070 B15R2.1592 Cn1c([C@H](N)CN)cc2ccccc21 Amb27831706 [0,1,1,0,0,0|2,0,0]=4 1071 B15R2.1592 Cn1c([C@H](O)CN)cc2ccccc21 Amb33344350 [0,1,1,0,0,0|2,0,0]=4 1072 B15R2.4355 Cc1c(CCN)sc2ccc(F)cc12 Amb28129620 [0,1,1,0,0,0|1,0,0]=3 1073 B15R2.4355 Cc1ccc2cc(CCN)n(C)c2c1 Amb18820708 [0,1,1,0,0,0|2,0,0]=4 1074 B15R2.4355 Cn1c(CCN)cc2ccc(F)cc21 Amb18190690 [0,1,1,0,0,0|2,0,0]=4 1075 B15R2.4355 Cn1c(CCN)nc2ccc(Cl)cc21 Amb18774611 [0,1,1,0,0,0|1,0,1]=4 1076 B15R2.4355 Cn1c(CCN)nc2ccc(F)cc21 Amb18961249 [0,1,1,0,0,0|1,0,1]=4 1077 B15R2.4355 Cn1c(CCN)nc2ccc(F)cc21 Amb19352556 [0,1,1,0,0,0|1,0,1]=4 1078 B15R2.4355 Cn1c(CCN)nc2ccc(O)cc21 Amb18818466 [0,1,1,0,0,0|1,0,1]=4 1079 B15R2.4362 Cc1c(CCN)sc2cc(Br)ccc12 Amb27625358 [0,1,1,0,0,0|1,0,0]=3 1080 B15R2.4362 Cc1c2ccc(F)cc2nn1CCN Amb27848321 [0,1,1,0,0,0|1,0,1]=4 1081 B15R2.4362 Cc1ccc2c(c1)cc(CCN)n2C Amb9901051 [0,1,1,0,0,0|2,0,0]=4 1082 B15R2.4362 Cc1ccc2c(c1)nc(CCN)n2C Amb19346520 [0,1,1,0,0,0|1,0,1]=4 1083 B15R2.4362 Cc1ccc2c(c1)nc(CCN)n2C Amb5730469 [0,1,1,0,0,0|1,0,1]=4 1084 B15R2.4362 Cn1c(CCN)cc2cc(Cl)ccc21 Amb18776369 [0,1,1,0,0,0|2,0,0]=4 1085 B15R2.4362 Cn1c(CCN)cc2cc(F)ccc21 Amb18190689 [0,1,1,0,0,0|2,0,0]=4 1086 B15R2.4362 Cn1c(CCN)cc2cc(O)ccc21 Amb18819227 [0,1,1,0,0,0|2,0,0]=4 1087 B15R2.4362 Cn1c(CCN)nc2cc(Cl)ccc21 Amb19346524 [0,1,1,0,0,0|1,0,1]=4 1088 B15R2.4362 Cn1c(CCN)nc2cc(Cl)ccc21 Amb20623858 [0,1,1,0,0,0|1,0,1]=4 1089 B15R2.4362 Cn1c(CCN)nc2cc(Cl)ccc21 Amb5731106 [0,1,1,0,0,0|1,0,1]=4 1090 B15R2.4362 Cn1c(CCN)nc2cc(F)ccc21 Amb18949582 [0,1,1,0,0,0|1,0,1]=4 1091 B15R2.4362 Cn1c(CCN)nc2cc(F)ccc21 Amb19346523 [0,1,1,0,0,0|1,0,1]=4 1092 B15R2.4362 Cn1c(CCN)nc2cc(O)ccc21 Amb18818465 [0,1,1,0,0,0|1,0,1]=4 1093 B15R2.4418 Cc1cccc2cc(CCN)n(C)c12 Amb18820706 [0,1,1,0,0,0|2,0,0]=4 1094 B15R2.4418 Cc1cccc2nc(CCN)n(C)c12 Amb18819992 [0,1,1,0,0,0|1,0,1]=4 1095 B15R2.4418 Cn1c(CCN)cc2cccc(Cl)c21 Amb18776370 [0,1,1,0,0,0|2,0,0]=4 1096 B15R2.4418 Cn1c(CCN)cc2cccc(F)c21 Amb18190691 [0,1,1,0,0,0|2,0,0]=4 1097 B15R2.9978 Cc1c(CCN)n(C)c2ccccc12 Amb18893846 [0,1,1,0,0,0|0,0,0]=2 1098 B15R2.9978 Cc1c(\C=N\N)n(C)c2ccccc12 Amb27768098 [0,1,1,0,0,0|1,0,1]=4 1099 B15R2.9978 Cn1c(CCN)c(Br)c2ccccc21 Amb33333788 [0,1,1,0,0,0|1,0,0]=3 1100 B15R2.9978 Cn1c(CCN)c(Cl)c2ccccc21 Amb27877633 [0,1,1,0,0,0|1,0,0]=3 1101 B15R2.9978 Cn1c(CCO)c(Br)c2ccccc21 Amb24579104 [0,1,1,0,0,0|2,0,0]=4 1102 B15R2.9978 Cn1c(CCS)c(Br)c2ccccc21 Amb33430513 [0,1,1,0,0,0|2,0,0]=4 1103 B15R2.9978 Cn1c(CNN)c(Br)c2ccccc21 Amb33435872 [0,1,1,0,0,0|2,0,0]=4 1104 B15R2.9978 Cn1c(CON)c(Br)c2ccccc21 Amb33435875 [0,1,1,0,0,0|2,0,0]=4 1105 B15R2.11629 Cc1cccc2c1cc(CCN)n2C Amb18820707 [0,1,1,0,0,0|2,0,0]=4 1106 B15R2.11629 Cn1c(CCN)cc2c(Cl)cccc21 Amb18776368 [0,1,1,0,0,0|2,0,0]=4 1107 B15R2.11629 Cn1c(CCN)cc2c(F)cccc21 Amb18817135 [0,1,1,0,0,0|2,0,0]=4 1108 B15R2.11629 Cn1c(CCN)cc2c(O)cccc21 Amb18819226 [0,1,1,0,0,0|2,0,0]=4 1109 B15R2.11629 Cn1c(CCN)nc2c(F)cccc21 Amb18949611 [0,1,1,0,0,0|1,0,1]=4 1110 B15R2.11629 Cn1c(CCN)nc2c(F)cccc21 Amb19346526 [0,1,1,0,0,0|1,0,1]=4 1111 B15R2.346 CCCCc1cc2cc(Br)ccc2o1 Amb22490300 [0,1,1,0,0,0|2,0,0]=4 1112 B15R2.346 CCCCc1cc2cc(F)ccc2o1 Amb28251567 [0,1,1,0,0,0|2,0,0]=4 1113 B15R2.346 CCCCc1cc2cc(N)ccc2o1 Amb26536206 [0,1,1,0,0,0|2,0,0]=4 1114 B15R2.346 CNCCc1cc2nc(Cl)ccc2s1 Amb33221055 [0,1,1,0,0,0|2,0,0]=4 1115 B15R2.346 CNCCc1nc2cc(Br)ccc2s1 Amb28322488 [0,1,1,0,0,0|1,0,1]=4 1116 B15R2.346 CNCCc1nc2cc(Cl)ccc2o1 Amb18293622 [0,1,1,0,0,0|1,0,1]=4 1117 B15R2.346 CNCCc1nc2cc(Cl)ccc2s1 Amb18981648 [0,1,1,0,0,0|1,0,1]=4 1118 B15R2.346 CNCCc1nc2cc(N)ccc2o1 Amb26940887 [0,1,1,0,0,0|1,0,1]=4 1119 B15R2.346 CNCCc1nc2ccc(Br)cc2o1 Amb26469531 [0,1,1,0,0,0|1,0,1]=4 1120 B15R2.346 CNCCc1nc2ccc(C)cc2s1 Amb28240751 [0,1,1,0,0,0|1,0,1]=4 1121 B15R2.346 CNCCc1nc2ccc(Cl)cc2o1 Amb25677795 [0,1,1,0,0,0|1,0,1]=4 1122 B15R2.346 CNCCc1nc2ccc(Cl)cc2s1 Amb27267764 [0,1,1,0,0,0|1,0,1]=4 1123 B15R2.346 CNCCc1nc2ccc(F)cc2o1 Amb24521130 [0,1,1,0,0,0|1,0,1]=4 1124 B15R2.346 CNCCc1nc2ccc(N)cc2o1 Amb25722194 [0,1,1,0,0,0|1,0,1]=4 1125 B15R2.351 CCCCc1cc2c(F)cccc2o1 Amb2698316 [0,1,1,0,0,0|2,0,0]=4 1126 B15R2.351 CNCCc1cc2cccc(F)c2o1 Amb27454743 [0,1,1,0,0,0|1,0,0]=3 1127 B15R2.351 CNCCc1nc2c(C)cccc2s1 Amb27586649 [0,1,1,0,0,0|1,0,1]=4 1128 B15R2.351 CNCCc1nc2c(F)cccc2o1 Amb24644129 [0,1,1,0,0,0|1,0,1]=4 1129 B15R2.351 CNCCc1nc2cccc(Br)c2o1 Amb25740977 [0,1,1,0,0,0|1,0,1]=4 1130 B15R2.351 CNCCc1nc2cccc(C)c2o1 Amb27629217 [0,1,1,0,0,0|1,0,1]=4 1131 B15R2.351 CNCCc1nc2cccc(Cl)c2o1 Amb25822554 [0,1,1,0,0,0|1,0,1]=4 1132 B15R2.351 CNCCc1nc2cccc(Cl)c2s1 Amb18981651 [0,1,1,0,0,0|1,0,1]=4 1133 B15R2.351 CNCCc1nc2cccc(F)c2o1 Amb24507157 [0,1,1,0,0,0|1,0,1]=4 1134 B15R2.351 CNCCc1nc2cccc(N)c2o1 Amb27399585 [0,1,1,0,0,0|1,0,1]=4 1135 B15R2.351 CNCCn1cc2c(F)cccc2n1 Amb27635411 [0,1,1,0,0,0|1,0,1]=4 1136 B15R2.1356 C=CCC(=O)c1cc2c(s1)CCNC2 Amb35608170 [0,1,1,0,0,0|1,0,1]=4 1137 B15R2.1356 CCCC(Cl)c1cc2ccccc2o1 Amb28454402 [0,1,1,0,0,0|2,0,0]=4 1138 B15R2.1356 CCCC(N)c1cc2ccccc2o1 Amb19002893 [0,1,1,0,0,0|2,0,0]=4 1139 B15R2.1356 CCC[C@@H](N)c1cc2ccccc2o1 Amb27602845 [0,1,1,0,0,0|2,0,0]=4 1140 B15R2.1356 CCC[C@@H](N)c1cc2ccccc2s1 Amb27845553 [0,1,1,0,0,0|2,0,0]=4 1141 B15R2.1356 CCC[C@H](N)c1cc2ccccc2o1 Amb27749287 [0,1,1,0,0,0|2,0,0]=4 1142 B15R2.1356 CCC[C@H](N)c1cc2ccccc2s1 Amb27597114 [0,1,1,0,0,0|2,0,0]=4 1143 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 Amb33314053 [0,1,1,0,0,0|1,0,1]=4 1144 B15R2.1356 CNCC(O)c1cc2ccccc2o1 Amb18818482 [0,1,1,0,0,0|1,0,0]=3 1145 B15R2.1356 CNCC(O)c1cc2ccccc2s1 Amb33314056 [0,1,1,0,0,0|1,0,0]=3 1146 B15R2.1356 CNCC(O)c1cn2ccccc2n1 Amb33149380 [0,1,1,0,0,0|1,0,1]=4 1147 B15R2.1356 CNCC(O)c1nc2ccccc2s1 Amb26506294 [0,1,1,0,0,0|1,0,1]=4 1148 B15R2.1356 CNC[C@H](O)c1cc2ccccc2o1 Amb27758331 [0,1,1,0,0,0|1,0,0]=3 1149 B15R2.1356 COCC(O)c1cc2ccccc2o1 Amb19078821 [0,1,1,0,0,0|2,0,0]=4 1150 B15R2.1356 COCC(O)c1cc2ccccc2s1 Amb28063307 [0,1,1,0,0,0|2,0,0]=4 1151 B15R2.1356 COC[C@@H](N)c1cc2ccccc2o1 Amb27433567 [0,1,1,0,0,0|2,0,0]=4 1152 B15R2.1356 COC[C@@H](N)c1cc2ccccc2s1 Amb27402692 [0,1,1,0,0,0|2,0,0]=4 1153 B15R2.1356 COC[C@H](N)c1cc2ccccc2o1 Amb28043082 [0,1,1,0,0,0|2,0,0]=4 1154 B15R2.1569 CC(Cc1cc2ccccc2s1)NN Amb27193840 [0,1,1,0,0,0|2,0,0]=4 1155 B15R2.1569 CCC(N)Cc1cc2ccccc2o1 Amb27984521 [0,1,1,0,0,0|2,0,0]=4 1156 B15R2.1569 CCC(N)Cc1cc2ccccc2s1 Amb19649531 [0,1,1,0,0,0|2,0,0]=4 1157 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 Amb33312492 [0,1,1,0,0,0|2,0,0]=4 1158 B15R2.1660 CC(Cl)CCc1cc2ccccc2o1 Amb28059321 [0,1,1,0,0,0|2,0,0]=4 1159 B15R2.1660 CC(N)CCc1cc2ccccc2s1 Amb33312837 [0,1,1,0,0,0|2,0,0]=4 1160 B15R2.1660 CC(O)CCc1cc2ccccc2s1 Amb33312836 [0,1,1,0,0,0|2,0,0]=4 1161 B15R2.1660 C[C@@H](N)CCc1cc2ccccc2s1 Amb33312833 [0,1,1,0,0,0|2,0,0]=4 1162 B15R2.1660 C[C@@H](O)CCc1cc2ccccc2s1 Amb33312834 [0,1,1,0,0,0|2,0,0]=4 1163 B15R2.1660 C[C@H](N)CCc1cc2ccccc2s1 Amb33312832 [0,1,1,0,0,0|2,0,0]=4 1164 B15R2.1660 C[C@H](O)CCc1cc2ccccc2s1 Amb33312835 [0,1,1,0,0,0|2,0,0]=4 1165 B15R2.2203 CCCNCc1cc2ccccc2o1 Amb6719091 [0,1,1,0,0,0|2,0,0]=4 1166 B15R2.2203 CCNCCc1cc2ccccc2s1 Amb19649532 [0,1,1,0,0,0|1,0,0]=3 1167 B15R2.2203 CNCCCc1nc2ccccc2o1 Amb32661278 [0,1,1,0,0,0|1,0,1]=4 1168 B15R2.2203 CNCCCc1nc2ccccc2o1 Amb9213013 [0,1,1,0,0,0|1,0,1]=4 1169 B15R2.2203 CNCCCc1nc2ccccc2s1 Amb8842475 [0,1,1,0,0,0|1,0,1]=4 1170 B15R2.2203 CNCCNc1nc2ccccc2o1 Amb18313340 [0,1,1,0,0,0|1,0,1]=4 1171 B15R2.2203 CNCCSc1nc2ccccc2o1 Amb19024672 [0,1,1,0,0,0|1,0,1]=4 1172 B15R2.2203 CNCCSc1nc2ccccc2s1 Amb18312352 [0,1,1,0,0,0|1,0,1]=4 1173 B15R2.2203 NCCCCc1cc2ccccc2o1 Amb18820049 [0,1,1,0,0,0|2,0,0]=4 1174 B15R2.2203 NCCCCc1cc2ccccc2s1 Amb18782051 [0,1,1,0,0,0|2,0,0]=4 1175 B15R2.44 CCCc1c(CN)oc2ccccc12 Amb27183235 [0,1,1,0,0,0|2,0,0]=4 1176 B15R2.44 CCCc1c(CN)sc2ccccc12 Amb27479963 [0,1,1,0,0,0|2,0,0]=4 1177 B15R2.44 CCc1oc2ccccc2c1CNC Amb2371307 [0,1,1,0,0,0|1,0,0]=3 1178 B15R2.44 CCc1oc2ccccc2c1CNC Amb54130 [0,1,1,0,0,0|1,0,0]=3 1179 B15R2.44 CNCc1c(SC)nc2ccccn12 Amb28239396 [0,1,1,0,0,0|1,0,1]=4 1180 B15R2.44 COCc1c(CO)sc2ccccc12 Amb27186870 [0,1,1,0,0,0|2,0,0]=4 1181 B15R2.993 CN(C)\C=C1/C(=O)Nc2ccccc21 Amb2418023 [0,1,1,0,0,0|1,0,1]=4 1182 B15R2.993 CN(C)\C=C1\C(=O)Nc2ccccc21 Amb589801 [0,1,1,0,0,0|1,0,1]=4 1183 B15R2.993 CN(C)\N=C1/C(=O)Nc2ccccc21 Amb4289351 [0,1,1,0,0,0|2,0,0]=4 1184 B15R2.993 CN(O)Cc1c2ccccc2nn1C Amb33312188 [0,1,1,0,0,0|1,0,1]=4 1185 B15R2.993 CN(O)\C=C1/C(=O)Nc2ccccc21 Amb21932255 [0,1,1,0,0,0|1,0,1]=4 1186 B15R2.993 CN(O)\C=C1\C(=O)Nc2ccccc21 Amb28247284 [0,1,1,0,0,0|1,0,1]=4 1187 B15R2.993 Cc1oc2ccccc2c1CC(C)N Amb27748354 [0,1,1,0,0,0|2,0,0]=4 1188 B15R2.993 Cc1sc2ccccc2c1CC(C)N Amb27462598 [0,1,1,0,0,0|2,0,0]=4 1189 B15R2.10698 C#CCc1c(C)n(C)c2ccccc12 Amb32732107 [0,1,1,0,0,0|1,0,1]=4 1190 B15R2.10698 CNCC1C(=O)N(C)c2ccccc21 Amb25699221 [0,1,1,0,0,0|1,0,1]=4 1191 B15R2.10698 CNCc1c(Br)n(C)c2ccccc12 Amb28436292 [0,1,1,0,0,0|1,0,0]=3 1192 B15R2.10698 CNCc1c(C)n(C)c2ccccc12 Amb18564554 [0,1,1,0,0,0|0,0,0]=2 1193 B15R2.10698 Cc1c(CC#N)c2ccccc2n1C Amb18863091 [0,1,1,0,0,0|2,0,0]=4 1194 B15R2.10698 Cc1c(CC=O)c2ccccc2n1C Amb32732102 [0,1,1,0,0,0|2,0,0]=4 1195 B15R2.10698 Cc1c(CCBr)c2ccccc2n1C Amb18228591 [0,1,1,0,0,0|2,0,0]=4 1196 B15R2.10698 Cc1c(CCCl)c2ccccc2n1C Amb18865748 [0,1,1,0,0,0|2,0,0]=4 1197 B15R2.10698 Cc1c(CCN)c2ccccc2n1C Amb1043445 [0,1,1,0,0,0|2,0,0]=4 1198 B15R2.10698 Cc1c(CCN)c2ccccc2n1C Amb1981152 [0,1,1,0,0,0|2,0,0]=4 1199 B15R2.10698 Cc1c(CCO)c2ccccc2n1C Amb17594922 [0,1,1,0,0,0|2,0,0]=4 1200 B15R2.10698 Cc1c(CCS)c2ccccc2n1C Amb18567586 [0,1,1,0,0,0|2,0,0]=4 1201 B15R2.10698 Cc1c(CNN)c2ccccc2n1C Amb32732120 [0,1,1,0,0,0|1,0,0]=3 1202 B15R2.10698 Cc1c(CNO)c2ccccc2n1C Amb32733103 [0,1,1,0,0,0|1,0,0]=3 1203 B15R2.10698 Cc1c(CON)c2ccccc2n1C Amb25029174 [0,1,1,0,0,0|2,0,0]=4 1204 B15R2.10698 [C-]#[N+]Cc1c(C)n(C)c2ccccc12 Amb32732147 [0,1,1,0,0,0|0,0,2]=4 1205 B15R2.11812 CNCC1C(=O)Nc2cc(C)ccc21 Amb27448489 [0,1,1,0,0,0|1,0,1]=4 1206 B15R2.11812 CNCC1C(=O)Nc2cc(Cl)ccc21 Amb25359134 [0,1,1,0,0,0|1,0,1]=4 1207 B15R2.11812 CNCC1C(=O)Nc2cc(F)ccc21 Amb26383548 [0,1,1,0,0,0|1,0,1]=4 1208 B15R2.11812 CNCc1c2ccc(F)cc2nn1C Amb27861026 [0,1,1,0,0,0|1,0,1]=4 1209 B15R2.11815 CNCC1C(=O)Nc2c(Br)cccc21 Amb25795417 [0,1,1,0,0,0|1,0,1]=4 1210 B15R2.11815 CNCC1C(=O)Nc2c(C)cccc21 Amb25763080 [0,1,1,0,0,0|1,0,1]=4 1211 B15R2.11815 CNCC1C(=O)Nc2c(Cl)cccc21 Amb25042734 [0,1,1,0,0,0|1,0,1]=4 1212 B15R2.11815 CNCC1C(=O)Nc2c(F)cccc21 Amb24685211 [0,1,1,0,0,0|1,0,1]=4 1213 B15R2.11815 CNCc1c(C)nc2c(F)cccn12 Amb27209690 [0,1,1,0,0,0|1,0,1]=4 1214 B15R2.11815 CNCc1c2cccc(F)c2nn1C Amb27201724 [0,1,1,0,0,0|1,0,1]=4 1215 B15R2.11815 CN\N=C1/C(=O)Nc2c(C)cccc21 Amb17866837 [0,1,1,0,0,0|2,0,0]=4 1216 B15R2.11815 CN\N=C1\C(=O)Nc2c(Cl)cccc21 Amb28046291 [0,1,1,0,0,0|2,0,0]=4 1217 B15R2.19393 CCC(O)c1c(C)oc2ccccc12 Amb27431150 [0,1,1,0,0,0|2,0,0]=4 1218 B15R2.19393 CN[C@@H](C)c1c(C)oc2ccccc12 Amb27254175 [0,1,1,0,0,0|1,0,0]=3 1219 B15R2.56716 CNCc1c2c(F)cccc2nn1C Amb27237697 [0,1,1,0,0,0|1,0,1]=4 1220 B15R2.56717 CNCC1C(=O)Nc2ccc(Br)cc21 Amb26058111 [0,1,1,0,0,0|1,0,1]=4 1221 B15R2.56717 CNCC1C(=O)Nc2ccc(C)cc21 Amb26862273 [0,1,1,0,0,0|1,0,1]=4 1222 B15R2.56717 CNCC1C(=O)Nc2ccc(Cl)cc21 Amb24450009 [0,1,1,0,0,0|1,0,1]=4 1223 B15R2.56717 CNCC1C(=O)Nc2ccc(F)cc21 Amb27945996 [0,1,1,0,0,0|1,0,1]=4 1224 B15R2.56717 CNCc1c2cc(F)ccc2nn1C Amb28326213 [0,1,1,0,0,0|1,0,1]=4 1225 B15R2.56717 CN\N=C1\C(=O)Nc2ccc(Cl)cc21 Amb26994591 [0,1,1,0,0,0|2,0,0]=4 1226 B15R2.201 CCc1c(C#N)c2ccccc2n1C Amb5781798 [0,1,1,0,0,0|0,0,2]=4 1227 B15R2.201 CCc1c(CN)c2ccccc2n1C Amb5781894 [0,1,1,0,0,0|0,0,0]=2 1228 B15R2.1759 CCc1sc2ccc(Br)cc2c1CC Amb27782728 [0,1,1,0,0,0|2,0,0]=4 1229 B15R2.1759 CCc1sc2ccc(Br)cc2c1CCl Amb27971384 [0,1,1,0,0,0|2,0,0]=4 1230 B15R2.1759 CCc1sc2ccc(F)cc2c1CCl Amb27263158 [0,1,1,0,0,0|2,0,0]=4 1231 B15R2.1759 CCc1sc2ccc(I)cc2c1CO Amb28057886 [0,1,1,0,0,0|2,0,0]=4 1232 B15R2.1759 CCc1sc2ccc(N)cc2c1CCl Amb28056931 [0,1,1,0,0,0|2,0,0]=4 1233 B15R2.1759 CCc1sc2ccc(O)cc2c1CBr Amb27962237 [0,1,1,0,0,0|2,0,0]=4 1234 B15R2.1759 CCc1sc2ccc(O)cc2c1CO Amb27818313 [0,1,1,0,0,0|2,0,0]=4 1235 B15R2.1821 CCc1sc2cc(Br)ccc2c1CCl Amb27193011 [0,1,1,0,0,0|2,0,0]=4 1236 B15R2.1821 CCc1sc2cc(C)ccc2c1CCl Amb28054939 [0,1,1,0,0,0|2,0,0]=4 1237 B15R2.1821 CCc1sc2cc(Cl)ccc2c1CC Amb28202944 [0,1,1,0,0,0|2,0,0]=4 1238 B15R2.1821 CCc1sc2cc(Cl)ccc2c1CCl Amb27424513 [0,1,1,0,0,0|2,0,0]=4 1239 B15R2.1821 CCc1sc2cc(I)ccc2c1CBr Amb27871690 [0,1,1,0,0,0|2,0,0]=4 1240 B15R2.1821 CCc1sc2cc(N)ccc2c1CC Amb28288019 [0,1,1,0,0,0|2,0,0]=4 1241 B15R2.1821 CCc1sc2cc(N)ccc2c1CO Amb27622399 [0,1,1,0,0,0|2,0,0]=4 1242 B15R2.1821 CCc1sc2cc(O)ccc2c1CBr Amb28202874 [0,1,1,0,0,0|2,0,0]=4 1243 B15R2.1821 CCc1sc2cc(O)ccc2c1CCl Amb27623011 [0,1,1,0,0,0|2,0,0]=4 1244 B15R2.1821 CCc1sc2cc(O)ccc2c1CO Amb27475073 [0,1,1,0,0,0|2,0,0]=4 1245 B15R2.1821 CCc1sc2cc(S)ccc2c1CC Amb27963790 [0,1,1,0,0,0|2,0,0]=4 1246 B15R2.1821 CCc1sc2cc(S)ccc2c1CO Amb27202949 [0,1,1,0,0,0|2,0,0]=4 1247 B15R2.1853 CCc1oc2ccccc2c1[C@@H](C)O Amb28183696 [0,1,1,0,0,0|2,0,0]=4 1248 B15R2.2046 CCc1sc2cccc(Br)c2c1CO Amb27964077 [0,1,1,0,0,0|2,0,0]=4 1249 B15R2.2046 CCc1sc2cccc(C)c2c1CC Amb27800196 [0,1,1,0,0,0|2,0,0]=4 1250 B15R2.2046 CCc1sc2cccc(C)c2c1CCl Amb27626657 [0,1,1,0,0,0|2,0,0]=4 1251 B15R2.2046 CCc1sc2cccc(F)c2c1CC Amb27446307 [0,1,1,0,0,0|2,0,0]=4 1252 B15R2.2046 CCc1sc2cccc(F)c2c1CO Amb28134915 [0,1,1,0,0,0|2,0,0]=4 1253 B15R2.2046 CCc1sc2cccc(I)c2c1CC Amb27429944 [0,1,1,0,0,0|2,0,0]=4 1254 B15R2.2046 CCc1sc2cccc(I)c2c1CCl Amb27459044 [0,1,1,0,0,0|2,0,0]=4 1255 B15R2.2046 CCc1sc2cccc(O)c2c1CC Amb27622740 [0,1,1,0,0,0|2,0,0]=4 1256 B15R2.2046 CCc1sc2cccc(S)c2c1CCl Amb27880310 [0,1,1,0,0,0|2,0,0]=4 1257 B15R2.2391 CCc1sc2c(Br)cccc2c1CCl Amb27966502 [0,1,1,0,0,0|2,0,0]=4 1258 B15R2.2391 CCc1sc2c(Br)cccc2c1CO Amb28247448 [0,1,1,0,0,0|2,0,0]=4 1259 B15R2.2391 CCc1sc2c(C)cccc2c1CBr Amb27797742 [0,1,1,0,0,0|2,0,0]=4 1260 B15R2.2391 CCc1sc2c(C)cccc2c1CC Amb27269058 [0,1,1,0,0,0|2,0,0]=4 1261 B15R2.2391 CCc1sc2c(C)cccc2c1CCl Amb28054940 [0,1,1,0,0,0|2,0,0]=4 1262 B15R2.2391 CCc1sc2c(Cl)cccc2c1CBr Amb27764177 [0,1,1,0,0,0|2,0,0]=4 1263 B15R2.2391 CCc1sc2c(Cl)cccc2c1CC Amb27192914 [0,1,1,0,0,0|2,0,0]=4 1264 B15R2.2391 CCc1sc2c(Cl)cccc2c1CO Amb27846241 [0,1,1,0,0,0|2,0,0]=4 1265 B15R2.2391 CCc1sc2c(F)cccc2c1CCl Amb27460019 [0,1,1,0,0,0|2,0,0]=4 1266 B15R2.2391 CCc1sc2c(F)cccc2c1CO Amb27976755 [0,1,1,0,0,0|2,0,0]=4 1267 B15R2.2391 CCc1sc2c(I)cccc2c1CO Amb27193198 [0,1,1,0,0,0|2,0,0]=4 1268 B15R2.2391 CCc1sc2c(N)cccc2c1CC Amb28290727 [0,1,1,0,0,0|2,0,0]=4 1269 B15R2.2391 CCc1sc2c(N)cccc2c1CCl Amb27963846 [0,1,1,0,0,0|2,0,0]=4 1270 B15R2.2391 CCc1sc2c(S)cccc2c1CC Amb27439240 [0,1,1,0,0,0|2,0,0]=4 1271 B15R2.4190 CC(C)c1nc2ccccn2c1CN Amb18909894 [0,1,1,0,0,0|1,0,1]=4 1272 B15R2.4190 CCc1c(C(C)N)oc2ccccc12 Amb13951241 [0,1,1,0,0,0|2,0,0]=4 1273 B15R2.4190 CCc1c(C(C)N)oc2ccccc12 Amb9703759 [0,1,1,0,0,0|2,0,0]=4 1274 B15R2.4190 CCc1c(C(C)O)oc2ccccc12 Amb9704447 [0,1,1,0,0,0|2,0,0]=4 1275 B15R2.4190 CCc1c(C(C)S)oc2ccccc12 Amb7784753 [0,1,1,0,0,0|2,0,0]=4 1276 B15R2.4190 CCc1c([C@@H](C)N)oc2ccccc12 Amb27947340 [0,1,1,0,0,0|2,0,0]=4 1277 B15R2.4190 CCc1c([C@H](C)N)oc2ccccc12 Amb28043375 [0,1,1,0,0,0|2,0,0]=4 1278 B15R2.46196 O=C1CCCCCNc2ccccc21 Amb28325702 [0,1,1,0,0,0|1,0,1]=4 1279 B15R3.50 Brc1ccc2c3c(oc2c1)CNC3 Amb18157752 [0,1,0,0,1,0|1,0,0]=3 1280 B15R3.50 Cc1ccc2c(c1)nc3n2CCC3 Amb23452461 [0,1,0,0,1,0|1,0,1]=4 1281 B15R3.50 Cc1ccn2c3c(cc2c1)CNC3 Amb18198210 [0,1,0,0,1,0|2,0,0]=4 1282 B15R3.50 Cc1ccn2c3c(nc2c1)CCC3 Amb28059440 [0,1,0,0,1,0|1,0,1]=4 1283 B15R3.50 Clc1ccc2c(c1)nc3n2CCC3 Amb23452462 [0,1,0,0,1,0|1,0,1]=4 1284 B15R3.50 Clc1ccn2c3c(nc2c1)CNC3 Amb28291404 [0,1,0,0,1,0|1,0,1]=4 1285 B15R3.50 Fc1ccc2c(c1)NC3CCCC23 Amb27861158 [0,1,0,0,1,0|0,0,2]=4 1286 B15R3.173 Brc1c2n(c3ccccc13)CCC2 Amb18158968 [0,1,0,0,1,0|2,0,0]=4 1287 B15R3.173 CN1C2=NCCN2c3ccccc31 Amb17674741 [0,1,0,0,1,0|2,0,0]=4 1288 B15R3.173 CN1C2=NCCN2c3ccccc31 Amb17943980 [0,1,0,0,1,0|2,0,0]=4 1289 B15R3.173 CN1c2ccccc2C3CCCC31 Amb23400847 [0,1,0,0,1,0|0,0,2]=4 1290 B15R3.173 Cn1c2c(c3ccccc31)CCN2 Amb18825340 [0,1,0,0,1,0|1,0,0]=3 1291 B15R3.173 Cn1c2c(c3ccccc31)CNC2 Amb18198216 [0,1,0,0,1,0|0,0,0]=2 1292 B15R3.173 Cn1c2c(c3cccnc31)NCC2 Amb18198006 [0,1,0,0,1,0|1,0,0]=3 1293 B15R3.173 Cn1c2c(c3cnccc31)NCC2 Amb18198007 [0,1,0,0,1,0|1,0,0]=3 1294 B15R3.173 Nc1c2n(c3ccccc13)CCC2 Amb18198215 [0,1,0,0,1,0|2,0,0]=4 1295 B15R3.173 [O-][n+]1c2n(c3ccccc31)CCC2 Amb26583509 [0,1,0,0,1,0|1,0,1]=4 1296 B15R3.562 Brc1cccc2c3c(oc12)CNC3 Amb18157740 [0,1,0,0,1,0|1,0,0]=3 1297 B15R3.562 Cc1cccc2c1N[C@H]3CCC[C@@H]23 Amb28052154 [0,1,0,0,1,0|0,0,2]=4 1298 B15R3.562 Cc1cccc2c3c(oc12)CNC3 Amb18825296 [0,1,0,0,1,0|1,0,0]=3 1299 B15R3.562 Clc1cccc2c3c(oc12)CNC3 Amb18190073 [0,1,0,0,1,0|1,0,0]=3 1300 B15R3.562 Nc1cccc2c1nc3n2CCC3 Amb25700393 [0,1,0,0,1,0|1,0,1]=4 1301 B15R3.562 Nc1cccc2c3c(oc12)CCC3 Amb9780550 [0,1,0,0,1,0|1,0,0]=3 1302 B15R3.2009 NC1Cc2cc3ccccc3n2C1 Amb27646907 [0,1,0,0,1,0|2,0,0]=4 1303 B15R3.2009 NC1Cc2nc3ccccc3n2C1 Amb27428983 [0,1,0,0,1,0|1,0,1]=4 1304 B15R3.2133 OC12CCCC1Nc3ccccc32 Amb27858962 [0,1,0,0,1,0|0,0,2]=4 1305 B15R3.2249 CC1CCn2c1nc3ccccc32 Amb27947557 [0,1,0,0,1,0|1,0,1]=4 1306 B15R3.2249 CC1NCc2c1nc3ccccn23 Amb18825286 [0,1,0,0,1,0|1,0,1]=4 1307 B15R3.2249 CC1NCn2c1nc3ccccc32 Amb28198846 [0,1,0,0,1,0|1,0,1]=4 1308 B15R3.2249 NC1CCC2c3ccccc3NC12 Amb24470118 [0,1,0,0,1,0|0,0,2]=4 1309 B15R3.2249 NC1CCc2c1sc3ccccc23 Amb28250133 [0,1,0,0,1,0|1,0,0]=3 1310 B15R3.2249 NC1CCn2c1cc3ccccc32 Amb18198245 [0,1,0,0,1,0|2,0,0]=4 1311 B15R3.8713 C[C@@]12CCC[C@@H]1c3ccccc3N2 Amb28070998 [0,1,0,0,1,0|0,0,2]=4 1312 B15R3.10083 CC1NCc2cc3ccccn3c21 Amb18198212 [0,1,0,0,1,0|2,0,0]=4 1313 B15R3.10083 CC1NCc2nc3ccccc3n21 Amb27449845 [0,1,0,0,1,0|1,0,1]=4 1314 B15R3.10083 CC1NCc2nc3ccccn3c21 Amb18197935 [0,1,0,0,1,0|1,0,1]=4 1315 B15R3.10083 OC1CCc2nc3ccccc3n21 Amb27470948 [0,1,0,0,1,0|1,0,1]=4 1316 B15R3.10591 Brc1ccc2oc3c(c2c1)CNC3 Amb18157742 [0,1,0,0,1,0|1,0,0]=3 1317 B15R3.10591 Clc1ccc2nc3n(c2c1)CCC3 Amb25187793 [0,1,0,0,1,0|1,0,1]=4 1318 B15R3.10591 Fc1ccc2c(c1)C3CNCC3N2 Amb27636726 [0,1,0,0,1,0|0,0,2]=4 1319 B15R3.10591 Fc1ccc2nc3c(n2c1)CCC3 Amb28136525 [0,1,0,0,1,0|1,0,1]=4 1320 B15R3.10591 Fc1ccc2nc3n(c2c1)CCC3 Amb28145876 [0,1,0,0,1,0|1,0,1]=4 1321 B15R3.10591 Nc1ccc2nc3n(c2c1)CCC3 Amb28120432 [0,1,0,0,1,0|1,0,1]=4 1322 B15R3.10591 Nc1ccc2oc3c(c2c1)CCC3 Amb9780551 [0,1,0,0,1,0|1,0,0]=3 1323 B15R3.10591 Nc1ccc2sc3c(c2c1)CNC3 Amb18190905 [0,1,0,0,1,0|1,0,0]=3 1324 B15R3.10591 Nc1ccc2sc3c(c2c1)COC3 Amb18818237 [0,1,0,0,1,0|2,0,0]=4 1325 B15R3.15273 Brc1cccc2oc3c(c12)CNC3 Amb18157745 [0,1,0,0,1,0|1,0,0]=3 1326 B15R3.15273 Cc1cccc2cc3c(n12)CNC3 Amb18198211 [0,1,0,0,1,0|2,0,0]=4 1327 B15R3.15273 Clc1cccc2nc3n(c12)CCC3 Amb23452463 [0,1,0,0,1,0|1,0,1]=4 1328 B15R3.15273 Nc1cccc2nc3n(c12)CCC3 Amb25064734 [0,1,0,0,1,0|1,0,1]=4 1329 B17R3.31 Cc1ccc2c3c(cnc2c1)CCNC3 Amb31096850 [0,1,0,0,0,1|0,0,1]=3 1330 B17R3.31 Clc1ccc2c3c(cnc2c1)CCNC3 Amb31096852 [0,1,0,0,0,1|0,0,1]=3 1331 B17R3.31 Fc1ccc2c3c(cnc2c1)CCNC3 Amb31096851 [0,1,0,0,0,1|0,0,1]=3 1332 B17R3.31 Oc1ccc2c3c(ccc2c1)CCCC3 Amb17595261 [0,1,0,0,0,1|2,0,0]=4 1333 B17R3.4465 BrC1CCCc2c1ccc3ccccc23 Amb28189787 [0,1,0,0,0,1|2,0,0]=4 1334 B17R3.4465 Cc1cccc2c3c(cnc12)CCNC3 Amb31096845 [0,1,0,0,0,1|0,0,1]=3 1335 B17R3.4465 Clc1cccc2c3c(cnc12)CCNC3 Amb31096863 [0,1,0,0,0,1|0,0,1]=3 1336 B17R3.4465 Fc1cccc2c3c(cnc12)CCNC3 Amb31096864 [0,1,0,0,0,1|0,0,1]=3 1337 B17R3.18998 Brc1ccc2ncc3c(c2c1)CNCC3 Amb31096865 [0,1,0,0,0,1|0,0,1]=3 1338 B17R3.18998 Cc1ccc2ncc3c(c2c1)CNCC3 Amb31096840 [0,1,0,0,0,1|0,0,1]=3 1339 B17R3.18998 Clc1ccc2ncc3c(c2c1)CNCC3 Amb31096848 [0,1,0,0,0,1|0,0,1]=3 1340 B17R3.18998 Fc1ccc2ncc3c(c2c1)CNCC3 Amb31096847 [0,1,0,0,0,1|0,0,1]=3 1341 B17R3.18998 Oc1ccc2ncc3c(c2c1)CCCC3 Amb33620333 [0,1,0,0,0,1|1,0,1]=4 1342 B17R3.54615 O=C1NC2=C(CCCC2)c3ccccc31 Amb22520217 [0,1,0,0,0,1|1,0,0]=3 1343 B17R3.54615 O=C1Nc2ccccc2C3=C1CCCC3 Amb19654320 [0,1,0,0,0,1|1,0,0]=3 1344 B17R3.54615 O=C1Nc2ccccc2C3=C1CCNC3 Amb31096891 [0,1,0,0,0,1|0,0,0]=2 1345 B17R3.54615 O=C1Nc2ccccc2C3=C1CNCC3 Amb31096924 [0,1,0,0,0,1|2,0,0]=4 1346 B17R3.54615 S=C1Nc2ccccc2C3=C1CCCC3 Amb19654176 [0,1,0,0,0,1|1,0,0]=3 1347 B17R3.54615 Sc1nc2ccccc2c3c1CCCC3 Amb6372998 [0,1,0,0,0,1|1,0,1]=4 1348 B17R3.3205 Brc1ccc2nc3c(cc2c1)CCNC3 Amb31096838 [0,1,0,0,0,1|1,0,0]=3 1349 B17R3.3205 Brc1ccc2nc3c(cc2c1)CNCC3 Amb31096806 [0,1,0,0,0,1|0,0,1]=3 1350 B17R3.3205 Cc1ccc2cc3c(nc2c1)CCNC3 Amb31096796 [0,1,0,0,0,1|0,0,1]=3 1351 B17R3.3205 Cc1ccc2cc3c(nc2c1)CNCC3 Amb31096823 [0,1,0,0,0,1|1,0,0]=3 1352 B17R3.3205 Cc1ccc2nc3c(cc2c1)CCNC3 Amb31096811 [0,1,0,0,0,1|1,0,0]=3 1353 B17R3.3205 Cc1ccc2nc3c(cc2c1)CNCC3 Amb31096787 [0,1,0,0,0,1|0,0,1]=3 1354 B17R3.3205 Clc1ccc2cc3c(nc2c1)CCNC3 Amb31096798 [0,1,0,0,0,1|0,0,1]=3 1355 B17R3.3205 Clc1ccc2cc3c(nc2c1)CNCC3 Amb31096825 [0,1,0,0,0,1|1,0,0]=3 1356 B17R3.3205 Clc1ccc2nc3c(cc2c1)CCNC3 Amb31096821 [0,1,0,0,0,1|1,0,0]=3 1357 B17R3.3205 Clc1ccc2nc3c(cc2c1)CNCC3 Amb31096795 [0,1,0,0,0,1|0,0,1]=3 1358 B17R3.3205 Fc1ccc2cc3c(nc2c1)CCNC3 Amb31096797 [0,1,0,0,0,1|0,0,1]=3 1359 B17R3.3205 Fc1ccc2cc3c(nc2c1)CNCC3 Amb31096824 [0,1,0,0,0,1|1,0,0]=3 1360 B17R3.3205 Fc1ccc2nc3c(cc2c1)CCNC3 Amb31096820 [0,1,0,0,0,1|1,0,0]=3 1361 B17R3.3205 Fc1ccc2nc3c(cc2c1)CNCC3 Amb31096794 [0,1,0,0,0,1|0,0,1]=3 1362 B17R3.3205 O=C1CCc2cc3ccccc3cc2C1 Amb2384320 [0,1,0,0,0,1|2,0,0]=4 1363 B17R3.35227 Brc1c2c(nc3ccccc13)CCCC2 Amb21962906 [0,1,0,0,0,1|1,0,1]=4 1364 B17R3.35227 Cc1c2c(nc3ccccc13)CCNC2 Amb31127439 [0,1,0,0,0,1|0,0,1]=3 1365 B17R3.35227 Clc1c2c(nc3ccccc13)CCCC2 Amb6335283 [0,1,0,0,0,1|1,0,1]=4 1366 B17R3.35227 Nc1c2c(cc3ccccc13)CCCC2 Amb21859234 [0,1,0,0,0,1|2,0,0]=4 1367 B17R3.35227 Nc1c2c(nc3ccccc13)CCCC2 Amb1147394 [0,1,0,0,0,1|1,0,1]=4 1368 B17R3.35227 Nc1c2c(nc3ccccc13)CCCC2 Amb2719963 [0,1,0,0,0,1|1,0,1]=4 1369 B17R3.35227 Nc1c2c(nc3ccccc13)CCCC2 Amb2732539 [0,1,0,0,0,1|1,0,1]=4 1370 B17R3.35227 Nc1c2c(nc3ccccc13)CCNC2 Amb22471039 [0,1,0,0,0,1|0,0,1]=3 1371 B17R3.35227 Nc1c2c(nc3ccccc13)CCOC2 Amb18653289 [0,1,0,0,0,1|1,0,1]=4 1372 B17R3.35227 Nc1c2c(nc3ccccc13)CNCC2 Amb32698011 [0,1,0,0,0,1|1,0,0]=3 1373 B17R3.35227 O=C1C2=C(CCCC2)Nc3ccccc31 Amb19088951 [0,1,0,0,0,1|1,0,0]=3 1374 B17R3.35227 O=C1C2=C(CCNC2)N=C3C=CC=CN13 Amb18653591 [0,1,0,0,0,1|1,0,1]=4 1375 B17R3.35227 O=C1C2=C(CCNC2)Nc3ccccc31 Amb21811708 [0,1,0,0,0,1|0,0,0]=2 1376 B17R3.35227 O=C1C2=C(CCNC2)Nc3ncccc31 Amb18810071 [0,1,0,0,0,1|1,0,0]=3 1377 B17R3.35227 O=C1C2=C(CNCC2)Nc3ccccc31 Amb31096756 [0,1,0,0,0,1|1,0,0]=3 1378 B17R3.35227 O=C1c2ccccc2N=C3CNCCN13 Amb18810076 [0,1,0,0,0,1|2,0,0]=4 1379 B17R3.50126 Cc1cccc2cc3c(nc12)CCNC3 Amb31096792 [0,1,0,0,0,1|0,0,1]=3 1380 B17R3.50126 Cc1cccc2cc3c(nc12)CNCC3 Amb31096818 [0,1,0,0,0,1|1,0,0]=3 1381 B17R3.50126 Clc1cccc2cc3c(nc12)CCNC3 Amb31096804 [0,1,0,0,0,1|0,0,1]=3 1382 B17R3.50126 Clc1cccc2cc3c(nc12)CNCC3 Amb31096835 [0,1,0,0,0,1|1,0,0]=3 1383 B17R3.50126 Fc1cccc2cc3c(nc12)CCNC3 Amb31096805 [0,1,0,0,0,1|0,0,1]=3 1384 B17R3.50126 Fc1cccc2cc3c(nc12)CNCC3 Amb31096837 [0,1,0,0,0,1|1,0,0]=3 1385 B17R3.50126 O=C1CCCC2=C1Sc3ccccc3N2 Amb589991 [0,1,0,0,0,1|1,0,1]=4 1386 B17R3.50126 OC1CCCc2cc3ccccc3nc21 Amb21962961 [0,1,0,0,0,1|1,0,1]=4 1387 B17R3.31653 Brc1ccc2nc3n(c2c1)CCNCC3 Amb22263526 [0,1,0,0,0,1|1,0,1]=4 1388 B17R3.275810 Brc1ccc2c(c1)nc3n2CCNCC3 Amb18691341 [0,1,0,0,0,1|1,0,1]=4 1389 B17R3.275810 Clc1ccc2c(c1)nc3n2CCNCC3 Amb22263596 [0,1,0,0,0,1|1,0,1]=4 1390 B17R3.1513 COc1ccc2nc3c(n2c1)CNCC3 Amb31112513 [0,2,0,0,0,0|1,0,1]=4 1391 B17R3.31626 CC1NCCc2nc3ccc(Cl)cn3c21 Amb31181812 [0,2,0,0,0,0|1,0,1]=4 1392 B17R3.31626 CC1NCCc2nc3ccc(F)cn3c21 Amb31112848 [0,2,0,0,0,0|1,0,1]=4 1393 B17R3.31626 Cc1ccc2nc3c(n2c1)C(C)NCC3 Amb31112309 [0,2,0,0,0,0|1,0,1]=4 1394 B17R3.31627 Cc1ccc2c(c1)C3CN(C)CCC3N2 Amb264326 [0,2,0,0,0,0|0,0,2]=4 1395 B17R3.31627 Cc1ccc2c(c1)C3CN(C)CCC3N2 Amb3318748 [0,2,0,0,0,0|0,0,2]=4 1396 B17R3.31627 Cc1ccc2c(c1)C3CN(C)CCC3N2 Amb9702677 [0,2,0,0,0,0|0,0,2]=4 1397 B17R3.31627 Cc1ccc2c(c1)[C@@H]3CN(C)CC[C@@H]3N2 Amb16200451 [0,2,0,0,0,0|0,0,2]=4 1398 B17R3.31627 Cc1ccc2c(c1)[C@@H]3CN(C)CC[C@@H]3N2 Amb33314321 [0,2,0,0,0,0|0,0,2]=4 1399 B17R3.31627 Cc1ccc2c(c1)[C@@H]3CN(C)CC[C@H]3N2 Amb542180 [0,2,0,0,0,0|0,0,2]=4 1400 B17R3.31627 Cc1ccc2c(c1)[C@H]3CN(C)CC[C@@H]3N2 Amb33379000 [0,2,0,0,0,0|0,0,2]=4 1401 B17R3.31627 Cc1ccc2c(c1)[C@H]3CN(C)CC[C@@H]3N2 Amb35745785 [0,2,0,0,0,0|0,0,2]=4 1402 B17R3.31627 Cc1ccc2c(c1)[C@H]3CN(C)CC[C@H]3N2 Amb538989 [0,2,0,0,0,0|0,0,2]=4 1403 B17R3.31627 Cc1ccc2oc3c(c2c1)CN(C)CC3 Amb24101857 [0,2,0,0,0,0|1,0,0]=3 1404 B17R3.31713 CN1CC[C@@H]2[C@@H](C1)c3ccccc3N2C Amb22744824 [0,2,0,0,0,0|0,0,2]=4 1405 B17R3.31713 CN1CCc2c(c3ccccc3n2C)C1 Amb1030877 [0,2,0,0,0,0|0,0,0]=2 1406 B17R3.31713 Cc1ccc2c(c1)c3c(n2C)CCNC3 Amb18894701 [0,2,0,0,0,0|0,0,0]=2 1407 B17R3.31713 Cc1ccc2c(c1)c3c(n2C)CNCC3 Amb18894698 [0,2,0,0,0,0|2,0,0]=4 1408 B17R3.31713 Cn1c2c(c3cc(Br)ccc31)CCCC2 Amb17574379 [0,2,0,0,0,0|1,0,0]=3 1409 B17R3.31713 Cn1c2c(c3cc(Br)ccc31)CCNC2 Amb17574401 [0,2,0,0,0,0|2,0,0]=4 1410 B17R3.31713 Cn1c2c(c3cc(Br)ccc31)CNCC2 Amb17574400 [0,2,0,0,0,0|0,0,0]=2 1411 B17R3.31713 Cn1c2c(c3cc(Cl)ccc31)CCNC2 Amb18244613 [0,2,0,0,0,0|2,0,0]=4 1412 B17R3.31713 Cn1c2c(c3cc(Cl)ccc31)CNCC2 Amb18244628 [0,2,0,0,0,0|0,0,0]=2 1413 B17R3.31713 Cn1c2c(c3cc(F)ccc31)CCNC2 Amb18895154 [0,2,0,0,0,0|2,0,0]=4 1414 B17R3.31713 Cn1c2c(c3cc(F)ccc31)CNCC2 Amb10179789 [0,2,0,0,0,0|0,0,0]=2 1415 B17R3.31713 Cn1c2c(c3cc(N)ccc31)CCCC2 Amb9784270 [0,2,0,0,0,0|1,0,0]=3 1416 B17R3.31713 Cn1c2c(c3cc(N)ccc31)CCNC2 Amb17570855 [0,2,0,0,0,0|2,0,0]=4 1417 B17R3.31713 Cn1c2c(c3cc(N)ccc31)CNCC2 Amb17570854 [0,2,0,0,0,0|0,0,0]=2 1418 B17R3.31713 Cn1c2c(c3cc(O)ccc31)CCCC2 Amb28905947 [0,2,0,0,0,0|1,0,0]=3 1419 B17R3.31713 Cn1c2c(c3ccccc31)CC(N)CC2 Amb18061772 [0,2,0,0,0,0|1,0,0]=3 1420 B17R3.34483 Cc1cc(Br)cn2c3c(nc12)CCNC3 Amb18265204 [0,2,0,0,0,0|1,0,1]=4 1421 B17R3.19746 Cc1ccn2c3c(nc2c1)CCNC3C Amb31112308 [0,2,0,0,0,0|1,0,1]=4 1422 B17R3.31819 Cc1ccc2c3c(n(C)c2c1)CCNC3 Amb18894703 [0,2,0,0,0,0|0,0,0]=2 1423 B17R3.31819 Cc1ccc2c3c(n(C)c2c1)CNCC3 Amb18894700 [0,2,0,0,0,0|2,0,0]=4 1424 B17R3.31819 Cn1c2c(c3ccc(Br)cc31)CCNC2 Amb32709306 [0,2,0,0,0,0|2,0,0]=4 1425 B17R3.31819 Cn1c2c(c3ccc(Cl)cc31)CCNC2 Amb18244623 [0,2,0,0,0,0|2,0,0]=4 1426 B17R3.31819 Cn1c2c(c3ccc(Cl)cc31)CNCC2 Amb18244637 [0,2,0,0,0,0|0,0,0]=2 1427 B17R3.31819 Cn1c2c(c3ccc(F)cc31)CCNC2 Amb18895156 [0,2,0,0,0,0|2,0,0]=4 1428 B17R3.31819 Cn1c2c(c3ccc(F)cc31)CNCC2 Amb18895158 [0,2,0,0,0,0|0,0,0]=2 1429 B17R3.31819 Cn1c2c(c3ccc(N)cc31)CCNC2 Amb32709300 [0,2,0,0,0,0|2,0,0]=4 1430 B17R3.633 COc1cccn2c3c(nc12)CCNC3 Amb31112514 [0,2,0,0,0,0|1,0,1]=4 1431 B17R3.51119 Cc1cccn2c3c(nc12)CCNC3C Amb31112307 [0,2,0,0,0,0|1,0,1]=4 1432 B17R3.51174 CC1NCCc2c1n(C)c3ccccc23 Amb18810509 [0,2,0,0,0,0|2,0,0]=4 1433 B17R3.51174 Cc1cccc2c3c(n(C)c12)CCNC3 Amb18894702 [0,2,0,0,0,0|0,0,0]=2 1434 B17R3.51174 Cc1cccc2c3c(n(C)c12)CNCC3 Amb18894699 [0,2,0,0,0,0|2,0,0]=4 1435 B17R3.51174 Cn1c2c(c3cccc(Br)c31)CCNC2 Amb18905986 [0,2,0,0,0,0|2,0,0]=4 1436 B17R3.51174 Cn1c2c(c3cccc(Br)c31)CNCC2 Amb18905987 [0,2,0,0,0,0|0,0,0]=2 1437 B17R3.51174 Cn1c2c(c3cccc(Cl)c31)CCNC2 Amb18244618 [0,2,0,0,0,0|2,0,0]=4 1438 B17R3.51174 Cn1c2c(c3cccc(Cl)c31)CNCC2 Amb18244633 [0,2,0,0,0,0|0,0,0]=2 1439 B17R3.51174 Cn1c2c(c3cccc(F)c31)CCNC2 Amb18895155 [0,2,0,0,0,0|2,0,0]=4 1440 B17R3.51174 Cn1c2c(c3cccc(F)c31)CNCC2 Amb18895157 [0,2,0,0,0,0|0,0,0]=2 1441 B17R3.51174 Cn1c2c(c3ccccc31)CCCC2=O Amb4468167 [0,2,0,0,0,0|1,0,1]=4 1442 B17R3.56301 CC1CCC(Br)c2sc3ccccc3c21 Amb27954054 [0,2,0,0,0,0|2,0,0]=4 1443 B17R3.4408 Cn1c2c(c3c(N)cccc31)CCNC2 Amb32709303 [0,2,0,0,0,0|2,0,0]=4 1444 B17R3.4408 Cn1c2c(c3ccccc31)C(=O)CCC2 Amb1033080 [0,2,0,0,0,0|1,0,1]=4 1445 B17R3.4408 Cn1c2c(c3ccccc31)C(=O)NCC2 Amb8391088 [0,2,0,0,0,0|0,0,1]=3 1446 B17R3.4408 Cn1c2c(c3ccccc31)C(O)CCC2 Amb21984727 [0,2,0,0,0,0|1,0,0]=3 1447 B17R3.182920 CCN1c2ccccc2C3CNCCC31 Amb32410663 [0,2,0,0,0,0|0,0,2]=4 1448 B17R3.182920 OCn1c2c(c3ccccc31)CCCC2 Amb4170718 [0,2,0,0,0,0|1,0,0]=3 1449 B17R3.20302 CC1(C)NCCc2nc3ccccn3c21 Amb18809934 [0,2,0,0,0,0|1,0,1]=4 1450 B17R3.83064 CCC1NCCc2nc3ccccn3c21 Amb31112311 [0,2,0,0,0,0|1,0,1]=4 1451 B17R3.400207 Cc1cccc2nc3c(n12)C(C)NCC3 Amb31112310 [0,2,0,0,0,0|1,0,1]=4 1452 B13R1.28 C=CCCNCCc1ccccc1 Amb19737352 [0,0,2,0,0,0|1,0,1]=4 1453 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [0,0,2,0,0,0|1,0,1]=4 1454 B13R1.28 NCCCNCCc1ccccc1 Amb17315277 [0,0,2,0,0,0|0,0,2]=4 1455 B13R1.84 COc1ccccc1NCCCN Amb17057731 [0,0,2,0,0,0|1,0,1]=4 1456 B13R1.84 COc1ccccc1\C=C\CCN Amb17138818 [0,0,2,0,0,0|2,0,0]=4 1457 B13R1.674 C=CC\C=C(\C)c1ccccc1N Amb24567224 [0,0,2,0,0,0|1,0,1]=4 1458 B13R1.674 CCO\C=C(/C)c1ccccc1N Amb18127957 [0,0,2,0,0,0|2,0,0]=4 1459 B13R1.674 C\C(=C/CCBr)c1ccccc1C Amb17254615 [0,0,2,0,0,0|2,0,0]=4 1460 B13R1.674 C\C(=C/CCBr)c1ccccc1Cl Amb17267356 [0,0,2,0,0,0|2,0,0]=4 1461 B13R1.674 C\C(=C/CCBr)c1ccccc1F Amb17256418 [0,0,2,0,0,0|2,0,0]=4 1462 B13R1.674 C\C(=C/CCCl)c1ccccc1C Amb17236142 [0,0,2,0,0,0|2,0,0]=4 1463 B13R1.674 C\C(=C/CCCl)c1ccccc1Cl Amb17241875 [0,0,2,0,0,0|2,0,0]=4 1464 B13R1.674 C\C(=C/CCCl)c1ccccc1F Amb17236849 [0,0,2,0,0,0|2,0,0]=4 1465 B13R1.674 C\C(=C/CCN)c1ccccc1C Amb17233141 [0,0,2,0,0,0|1,0,0]=3 1466 B13R1.674 C\C(=C/CCN)c1ccccc1Cl Amb17236339 [0,0,2,0,0,0|1,0,0]=3 1467 B13R1.674 C\C(=C/CCN)c1ccccc1F Amb17233550 [0,0,2,0,0,0|1,0,0]=3 1468 B13R1.674 C\C(=C\CCBr)c1ccccc1F Amb27258536 [0,0,2,0,0,0|2,0,0]=4 1469 B13R1.674 C\C(=C\CCCl)c1ccccc1Cl Amb27810632 [0,0,2,0,0,0|2,0,0]=4 1470 B13R1.674 C\C(=C\CCCl)c1cccnc1N Amb28322956 [0,0,2,0,0,0|2,0,0]=4 1471 B13R1.674 C\C(=C\CCN)c1ccccc1Br Amb27229642 [0,0,2,0,0,0|1,0,0]=3 1472 B13R1.674 C\C(=C\CCN)c1ccccc1F Amb27187328 [0,0,2,0,0,0|1,0,0]=3 1473 B13R1.674 NCCNC(=O)c1ccccc1N Amb18290739 [0,0,2,0,0,0|2,0,0]=4 1474 B13R1.44 CCCCC(=O)Nc1ccccc1 Amb3104073 [0,0,2,0,0,0|2,0,0]=4 1475 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb15740952 [0,0,2,0,0,0|1,0,0]=3 1476 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb9833670 [0,0,2,0,0,0|1,0,0]=3 1477 B13R1.44 CNCCC(=O)Nc1cccnc1 Amb18184496 [0,0,2,0,0,0|2,0,0]=4 1478 B13R1.44 CNCCC(=O)Nc1cccnc1 Amb22014620 [0,0,2,0,0,0|2,0,0]=4 1479 B13R1.44 CNCC\C(C)=C\c1ccccc1 Amb33476406 [0,0,2,0,0,0|1,0,0]=3 1480 B13R1.44 CNNCC(=O)Nc1ccccc1 Amb28251057 [0,0,2,0,0,0|2,0,0]=4 1481 B13R1.44 CN\N=C\C(=O)Nc1ccccc1 Amb26388804 [0,0,2,0,0,0|2,0,0]=4 1482 B13R1.44 CSCCC(=O)Nc1ccccc1 Amb27260793 [0,0,2,0,0,0|2,0,0]=4 1483 B13R1.47 C=C(CCN)C(C)c1ccccc1 Amb33081878 [0,0,2,0,0,0|1,0,1]=4 1484 B13R1.47 CC(C(=O)CCN)c1ccccc1 Amb33081588 [0,0,2,0,0,0|1,0,1]=4 1485 B13R1.47 CN(C(=O)CCN)c1ccccc1 Amb1134878 [0,0,2,0,0,0|2,0,0]=4 1486 B13R1.47 CN(C(=O)CCN)c1ccccc1 Amb9147569 [0,0,2,0,0,0|2,0,0]=4 1487 B13R1.47 C\C(=C(\Cl)CCCl)c1ccccc1 Amb27218275 [0,0,2,0,0,0|2,0,0]=4 1488 B13R1.173 CC\C=C(\CC)c1ccccc1N Amb27779032 [0,0,2,0,0,0|1,0,0]=3 1489 B13R1.173 Nc1ccccc1\C(=C\CO)CO Amb18128403 [0,0,2,0,0,0|2,0,0]=4 1490 B13R1.555 C\C=C\C\C=C/c1ccccc1N Amb27882821 [0,0,2,0,0,0|1,0,1]=4 1491 B13R1.555 C\C=C\C\C=C\c1ccccc1N Amb27783393 [0,0,2,0,0,0|1,0,1]=4 1492 B15R3.1736 c1ccc2c(C3CCN3)coc2c1 Amb27955785 [0,0,1,1,0,0|1,0,0]=3 1493 B15R3.1736 c1ccc2c(C3CCN3)csc2c1 Amb24707702 [0,0,1,1,0,0|1,0,0]=3 1494 B15R3.1736 c1ccc2c([C@H]3CCN3)csc2c1 Amb27655474 [0,0,1,1,0,0|1,0,0]=3 1495 B15R3.1736 c1ccn2c(C3CCN3)cnc2c1 Amb33274383 [0,0,1,1,0,0|1,0,1]=4 1496 B15R3.1736 c1ccn2ncc(C3CCN3)c2c1 Amb33147900 [0,0,1,1,0,0|1,0,1]=4 1497 B15R3.1738 c1ccc2c(c1)NCC23CCNC3 Amb23437395 [0,0,1,1,0,0|0,0,2]=4 1498 B15R3.1738 c1ccc2c(c1)NCC23CCNC3 Amb32665200 [0,0,1,1,0,0|0,0,2]=4 1499 B15R3.166 Cc1c(C2CO2)oc3ccccc13 Amb28366557 [0,0,1,1,0,0|2,0,0]=4 1500 B15R3.166 Cc1c([C@@H]2CO2)oc3ccccc13 Amb33428300 [0,0,1,1,0,0|2,0,0]=4 1501 B15R3.166 Cc1c([C@H]2CO2)oc3ccccc13 Amb33428303 [0,0,1,1,0,0|2,0,0]=4 1502 B15R3.24790 c1ccc2oc(C3COC3)cc2c1 Amb27240008 [0,0,1,1,0,0|2,0,0]=4 1503 B15R3.24790 c1ccc2sc(C3CNC3)cc2c1 Amb26633025 [0,0,1,1,0,0|1,0,0]=3 1504 B15R3.24790 c1ccc2sc(C3CNC3)nc2c1 Amb20668023 [0,0,1,1,0,0|1,0,1]=4 1505 B15R3.24790 c1ccc2sc(C3CNC3)nc2c1 Amb26376606 [0,0,1,1,0,0|1,0,1]=4 1506 B15R3.24790 c1ccn2cc(C3CNC3)nc2c1 Amb33447802 [0,0,1,1,0,0|1,0,1]=4 1507 B15R3.31660 c1ccc2sc(CC3CO3)cc2c1 Amb33312821 [0,0,1,1,0,0|2,0,0]=4 1508 B15R3.655 O=C1Nc2ccccc2C13CNC3 Amb24517344 [0,0,1,1,0,0|1,0,1]=4 1509 B15R3.655 O=C1Nc2ccccc2C13CNC3 Amb32826053 [0,0,1,1,0,0|1,0,1]=4 1510 B15R3.655 O=C1Nc2ccccc2C13CNC3 Amb33330200 [0,0,1,1,0,0|1,0,1]=4 1511 B15R3.14759 Cc1nc2cccc3n2c1CNC3 Amb18197928 [0,0,1,1,0,0|1,0,1]=4 1512 B15R3.1739 c1cc2ncc3c(n2n1)CCNC3 Amb25816930 [0,0,1,1,0,0|2,0,0]=4 1513 B15R3.1739 c1ccc2c(c1)NCC3CNCC23 Amb28121911 [0,0,1,1,0,0|0,0,2]=4 1514 B15R3.1739 c1cn2c3c(cnc2n1)CNCC3 Amb28057629 [0,0,1,1,0,0|2,0,0]=4 1515 B13R2.1028 CCNCC1Cc2ccccc21 Amb18289168 [0,0,1,0,1,0|0,0,2]=4 1516 B13R2.64 C(=C1/CCCN1)/c2ccccc2 Amb27814288 [0,0,1,0,1,0|2,0,0]=4 1517 B13R2.64 C(=C1/CCNC1)/c2ccccc2 Amb26544410 [0,0,1,0,1,0|1,0,0]=3 1518 B13R2.64 C(=C1CCCC1)c2ccccc2 Amb10606582 [0,0,1,0,1,0|1,0,1]=4 1519 B13R2.64 C1=C(Cc2ccccc2)NCC1 Amb17938862 [0,0,1,0,1,0|2,0,0]=4 1520 B13R2.64 C1=C(Cc2cccnc2)CCC1 Amb27247604 [0,0,1,0,1,0|2,0,0]=4 1521 B13R2.64 C1=[N+](Cc2ccccc2)CCN1 Amb27608681 [0,0,1,0,1,0|2,0,0]=4 1522 B13R2.64 c1cc(NC2CCNC2)ccn1 Amb18961189 [0,0,1,0,1,0|1,0,1]=4 1523 B13R2.64 c1ccc(CC2=NCCC2)cc1 Amb24053775 [0,0,1,0,1,0|2,0,0]=4 1524 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb24097496 [0,0,1,0,1,0|1,0,1]=4 1525 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb3940960 [0,0,1,0,1,0|1,0,1]=4 1526 B13R2.64 c1ccc(CN2CCNC2)cc1 Amb22494689 [0,0,1,0,1,0|2,0,0]=4 1527 B13R2.64 c1ccc(N=C2CCCC2)cc1 Amb27986023 [0,0,1,0,1,0|0,0,2]=4 1528 B13R2.64 c1ccc(NC2=NCCC2)cc1 Amb1286041 [0,0,1,0,1,0|1,0,0]=3 1529 B13R2.64 c1ccc(NC2=NCCO2)cc1 Amb25929780 [0,0,1,0,1,0|2,0,0]=4 1530 B13R2.64 c1ccc(NC2=NCCS2)cc1 Amb6599638 [0,0,1,0,1,0|2,0,0]=4 1531 B13R2.64 c1ccc(NC2CCCC2)cc1 Amb33527378 [0,0,1,0,1,0|0,0,2]=4 1532 B13R2.64 c1ccc(NC2CCCO2)cc1 Amb27614715 [0,0,1,0,1,0|1,0,1]=4 1533 B13R2.64 c1ccc(NC2CCNC2)cc1 Amb9768320 [0,0,1,0,1,0|0,0,1]=3 1534 B13R2.64 c1ccc(NC2CCNC2)nc1 Amb22272341 [0,0,1,0,1,0|1,0,1]=4 1535 B13R2.64 c1ccc(NC2CCNC2)nc1 Amb33530316 [0,0,1,0,1,0|1,0,1]=4 1536 B13R2.64 c1ccc(NC2CCOC2)cc1 Amb25310936 [0,0,1,0,1,0|1,0,1]=4 1537 B13R2.64 c1ccc(NC2CCOC2)cc1 Amb32729444 [0,0,1,0,1,0|1,0,1]=4 1538 B13R2.64 c1ccc(NC2CCSC2)cc1 Amb6685079 [0,0,1,0,1,0|1,0,1]=4 1539 B13R2.64 c1ccc(N[C@H]2CCNC2)nc1 Amb22736983 [0,0,1,0,1,0|1,0,1]=4 1540 B13R2.64 c1ccc(OC2CCNC2)cc1 Amb21955028 [0,0,1,0,1,0|1,0,1]=4 1541 B13R2.64 c1ccc(OC2CCNC2)cc1 Amb33552314 [0,0,1,0,1,0|1,0,1]=4 1542 B13R2.64 c1ccc(O[C@@H]2CCNC2)cc1 Amb25048825 [0,0,1,0,1,0|1,0,1]=4 1543 B13R2.64 c1ccc(O[C@@H]2CCNC2)cc1 Amb30526957 [0,0,1,0,1,0|1,0,1]=4 1544 B13R2.64 c1ccc(O[C@H]2CCNC2)cc1 Amb26011960 [0,0,1,0,1,0|1,0,1]=4 1545 B13R2.64 c1ccc(O[C@H]2CCNC2)cc1 Amb30526964 [0,0,1,0,1,0|1,0,1]=4 1546 B13R2.64 c1ccc(SC2CCNC2)cc1 Amb17191396 [0,0,1,0,1,0|1,0,1]=4 1547 B13R2.64 c1ccc(SC2CCNC2)cc1 Amb35745750 [0,0,1,0,1,0|1,0,1]=4 1548 B13R2.15 Clc1ccsc1C2=CCCNC2 Amb27595873 [0,0,1,0,1,0|2,0,0]=4 1549 B13R2.15 N=C1CCCN1c2ccccc2 Amb7764355 [0,0,1,0,1,0|1,0,1]=4 1550 B13R2.15 NC1=CCNN1c2ccccc2 Amb17594021 [0,0,1,0,1,0|1,0,1]=4 1551 B13R2.15 NC1=NCCN1c2ccccc2 Amb4436538 [0,0,1,0,1,0|2,0,0]=4 1552 B13R2.15 NC1CCCC1c2ccccc2 Amb17506307 [0,0,1,0,1,0|0,0,2]=4 1553 B13R2.15 NC1CCCC1c2ccccc2 Amb32652751 [0,0,1,0,1,0|0,0,2]=4 1554 B13R2.15 NC1CCNC1c2ccccc2 Amb18829599 [0,0,1,0,1,0|0,0,2]=4 1555 B13R2.15 NC1CNCC1c2ccccc2 Amb24432765 [0,0,1,0,1,0|0,0,2]=4 1556 B13R2.15 NN1CCCC1c2ccccc2 Amb22288944 [0,0,1,0,1,0|1,0,1]=4 1557 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 Amb22745600 [0,0,1,0,1,0|0,0,2]=4 1558 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 Amb32655988 [0,0,1,0,1,0|0,0,2]=4 1559 B13R2.15 N[C@@H]1CCC[C@H]1c2ccccc2 Amb25168925 [0,0,1,0,1,0|0,0,2]=4 1560 B13R2.15 N[C@@H]1CCC[C@H]1c2ccccc2 Amb28617037 [0,0,1,0,1,0|0,0,2]=4 1561 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 Amb27788278 [0,0,1,0,1,0|0,0,2]=4 1562 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 Amb27419894 [0,0,1,0,1,0|0,0,2]=4 1563 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 Amb33804658 [0,0,1,0,1,0|0,0,2]=4 1564 B13R2.15 O=C1CCC=C1c2ccccc2 Amb24099094 [0,0,1,0,1,0|1,0,1]=4 1565 B13R2.15 O=C1CCCC1c2ccccc2 Amb17940271 [0,0,1,0,1,0|1,0,1]=4 1566 B13R2.15 O=C1CCCN1c2ccccc2 Amb6357467 [0,0,1,0,1,0|2,0,0]=4 1567 B13R2.15 O=C1CCC[C@H]1c2ccccc2 Amb27175855 [0,0,1,0,1,0|1,0,1]=4 1568 B13R2.15 O=C1CCNC1c2ccccc2 Amb18829957 [0,0,1,0,1,0|1,0,1]=4 1569 B13R2.15 O=C1CCNC1c2ccccc2 Amb22901061 [0,0,1,0,1,0|1,0,1]=4 1570 B13R2.15 O=C1CCNN1c2ccccc2 Amb24621860 [0,0,1,0,1,0|2,0,0]=4 1571 B13R2.15 O=C1CNCN1c2ccccc2 Amb24664160 [0,0,1,0,1,0|2,0,0]=4 1572 B13R2.18 Brc1ccccc1C2=NCCN2 Amb18069920 [0,0,1,0,1,0|2,0,0]=4 1573 B13R2.18 Brc1ccccc1C2CCNC2 Amb18571277 [0,0,1,0,1,0|1,0,1]=4 1574 B13R2.18 Brc1ccccc1C2CCNC2 Amb30588526 [0,0,1,0,1,0|1,0,1]=4 1575 B13R2.18 Brc1ccccc1[C@H]2CCNC2 Amb27390200 [0,0,1,0,1,0|1,0,1]=4 1576 B13R2.18 CC1=C(c2ccco2)CNCC1 Amb28366295 [0,0,1,0,1,0|2,0,0]=4 1577 B13R2.18 CC1=C(c2ccco2)CNCC1 Amb28963388 [0,0,1,0,1,0|2,0,0]=4 1578 B13R2.18 CC1=C(c2ccsc2)CNCC1 Amb27173905 [0,0,1,0,1,0|2,0,0]=4 1579 B13R2.18 Cc1ccccc1C2=CCNC2 Amb22059719 [0,0,1,0,1,0|1,0,0]=3 1580 B13R2.18 Cc1ccccc1C2=CCNC2 Amb30584972 [0,0,1,0,1,0|1,0,0]=3 1581 B13R2.18 Cc1ccccc1C2=NCCC2 Amb26420612 [0,0,1,0,1,0|2,0,0]=4 1582 B13R2.18 Cc1ccccc1C2=NCCN2 Amb18563497 [0,0,1,0,1,0|2,0,0]=4 1583 B13R2.18 Cc1ccccc1C2=NNCC2 Amb25697316 [0,0,1,0,1,0|2,0,0]=4 1584 B13R2.18 Cc1ccccc1C2CCNC2 Amb13952285 [0,0,1,0,1,0|1,0,1]=4 1585 B13R2.18 Cc1ccccc1C2CCNC2 Amb24094033 [0,0,1,0,1,0|1,0,1]=4 1586 B13R2.18 Cc1ccccc1[C@H]2CCNC2 Amb27230875 [0,0,1,0,1,0|1,0,1]=4 1587 B13R2.18 Cc1ccncc1C2=CCNC2 Amb27450658 [0,0,1,0,1,0|2,0,0]=4 1588 B13R2.18 Clc1ccccc1C2=NCCC2 Amb22285378 [0,0,1,0,1,0|2,0,0]=4 1589 B13R2.18 Clc1ccccc1C2=NCCN2 Amb8487312 [0,0,1,0,1,0|2,0,0]=4 1590 B13R2.18 Clc1ccccc1C2CCNC2 Amb10068901 [0,0,1,0,1,0|1,0,1]=4 1591 B13R2.18 Clc1ccccc1C2CCNC2 Amb10602146 [0,0,1,0,1,0|1,0,1]=4 1592 B13R2.18 Clc1ccccc1C2CCNC2 Amb19958389 [0,0,1,0,1,0|1,0,1]=4 1593 B13R2.18 Fc1ccccc1C2=CCCC2 Amb26360444 [0,0,1,0,1,0|1,0,0]=3 1594 B13R2.18 Fc1ccccc1C2=CCNC2 Amb22059720 [0,0,1,0,1,0|1,0,0]=3 1595 B13R2.18 Fc1ccccc1C2=CCNC2 Amb30585028 [0,0,1,0,1,0|1,0,0]=3 1596 B13R2.18 Fc1ccccc1C2=NCCC2 Amb28137768 [0,0,1,0,1,0|2,0,0]=4 1597 B13R2.18 Fc1ccccc1C2=NCCN2 Amb17578183 [0,0,1,0,1,0|2,0,0]=4 1598 B13R2.18 Fc1ccccc1C2CCNC2 Amb19351410 [0,0,1,0,1,0|1,0,1]=4 1599 B13R2.18 Fc1ccccc1C2CCNC2 Amb8009464 [0,0,1,0,1,0|1,0,1]=4 1600 B13R2.18 Fc1ccccc1[C@@H]2CCNC2 Amb24094222 [0,0,1,0,1,0|1,0,1]=4 1601 B13R2.18 Fc1ccccc1[C@H]2CCNC2 Amb24099973 [0,0,1,0,1,0|1,0,1]=4 1602 B13R2.18 Ic1ccccc1C2=NCCC2 Amb28435190 [0,0,1,0,1,0|2,0,0]=4 1603 B13R2.18 Ic1ccccc1[C@H]2CCNC2 Amb27263845 [0,0,1,0,1,0|1,0,1]=4 1604 B13R2.18 Nc1ccccc1C2=CCCO2 Amb27406595 [0,0,1,0,1,0|1,0,0]=3 1605 B13R2.18 Nc1ccccc1C2=NCCN2 Amb6739917 [0,0,1,0,1,0|1,0,0]=3 1606 B13R2.18 Nc1ccccc1C2=NCCO2 Amb18063926 [0,0,1,0,1,0|1,0,1]=4 1607 B13R2.18 Nc1ccccc1C2C=CCC2 Amb18126193 [0,0,1,0,1,0|0,0,2]=4 1608 B13R2.18 Nc1ccccc1C2CCCC2 Amb17106959 [0,0,1,0,1,0|0,0,2]=4 1609 B13R2.18 Nc1ccccc1C2CCCN2 Amb18064028 [0,0,1,0,1,0|0,0,2]=4 1610 B13R2.18 Nc1ccccc1C2CCNC2 Amb27412916 [0,0,1,0,1,0|0,0,1]=3 1611 B13R2.18 Nc1ccccc1C2CCOC2 Amb20617120 [0,0,1,0,1,0|1,0,1]=4 1612 B13R2.18 Nc1ccccc1N2CCCC2 Amb24053263 [0,0,1,0,1,0|1,0,1]=4 1613 B13R2.18 Nc1ccccc1N2CCCC2 Amb420192 [0,0,1,0,1,0|1,0,1]=4 1614 B13R2.18 Nc1ccccc1N2CCCC2 Amb716884 [0,0,1,0,1,0|1,0,1]=4 1615 B13R2.18 Nc1ccccc1[C@@H]2CCCN2 Amb27259054 [0,0,1,0,1,0|0,0,2]=4 1616 B13R2.18 Nc1ccccc1[C@H]2CCNC2 Amb27390596 [0,0,1,0,1,0|0,0,1]=3 1617 B13R2.18 Nc1ccncc1C2CCNC2 Amb27168603 [0,0,1,0,1,0|1,0,1]=4 1618 B13R2.18 Nc1cnccc1C2CCNC2 Amb27214120 [0,0,1,0,1,0|1,0,1]=4 1619 B13R2.18 Nc1ncccc1C2=NCCC2 Amb23445309 [0,0,1,0,1,0|2,0,0]=4 1620 B13R2.18 Nc1ncncc1C2=CCCC2 Amb18645522 [0,0,1,0,1,0|2,0,0]=4 1621 B13R2.18 Oc1ccccc1C2=NCCN2 Amb4027022 [0,0,1,0,1,0|2,0,0]=4 1622 B13R2.18 Oc1ccccc1C2CCNC2 Amb18062861 [0,0,1,0,1,0|1,0,1]=4 1623 B13R2.18 Sc1ccccc1C2=CCCN2 Amb22363566 [0,0,1,0,1,0|1,0,0]=3 1624 B13R2.18 Sc1ccccc1C2=NCCN2 Amb2425856 [0,0,1,0,1,0|2,0,0]=4 1625 B13R2.164 CNCCc1cc2cscc2s1 Amb35630839 [0,0,1,0,1,0|2,0,0]=4 1626 B13R2.164 O=C\C=C\c1cc2c(s1)CCC2 Amb32731085 [0,0,1,0,1,0|2,0,0]=4 1627 B13R2.67 c1ccc2c(c1)CCCCCN2 Amb19148899 [0,0,1,0,1,0|0,0,2]=4 1628 B13R2.67 c1ccc2c(c1)CCCCCN2 Amb24665820 [0,0,1,0,1,0|0,0,2]=4 1629 B13R2.67 c1ccc2c(c1)CCCCNC2 Amb27616673 [0,0,1,0,1,0|1,0,1]=4 1630 B13R2.67 c1ccc2c(c1)CCCNCC2 Amb28246443 [0,0,1,0,1,0|0,0,2]=4 1631 B13R2.67 c1ccc2c(c1)CNCCCN2 Amb24183951 [0,0,1,0,1,0|0,0,1]=3 1632 B13R2.67 c1ccc2c(c1)CNCCCO2 Amb5750868 [0,0,1,0,1,0|1,0,1]=4 1633 B13R2.67 c1ccc2c(c1)NCCCCN2 Amb10606982 [0,0,1,0,1,0|1,0,1]=4 1634 B13R2.67 c1ccc2c(c1)NCCCCS2 Amb27407135 [0,0,1,0,1,0|1,0,1]=4 1635 B13R2.67 c1cnc2c(c1)CNCCCN2 Amb27165837 [0,0,1,0,1,0|1,0,1]=4 1636 B15R2.352 CCCCc1ccc2ccccc2c1 Amb9787702 [0,0,1,0,0,1|2,0,0]=4 1637 B15R2.352 CCCCc1ccc2ccccc2n1 Amb4012109 [0,0,1,0,0,1|2,0,0]=4 1638 B15R2.352 CCCCc1cnc2ccccc2c1 Amb27830570 [0,0,1,0,0,1|1,0,1]=4 1639 B15R2.352 CCNCC1CNc2ccccc2C1 Amb28350450 [0,0,1,0,0,1|0,0,2]=4 1640 B15R2.352 CCNCc1cc2ccccc2cn1 Amb25116683 [0,0,1,0,0,1|2,0,0]=4 1641 B15R2.352 CCNCc1ccc2ccccc2c1 Amb6266033 [0,0,1,0,0,1|1,0,0]=3 1642 B15R2.352 CCNCc1ccc2ccccc2n1 Amb19373560 [0,0,1,0,0,1|1,0,0]=3 1643 B15R2.352 CCNCc1ccc2ccccc2n1 Amb6742542 [0,0,1,0,0,1|1,0,0]=3 1644 B15R2.352 CCNCc1ccc2cccnc2c1 Amb28062622 [0,0,1,0,0,1|2,0,0]=4 1645 B15R2.352 CCNCc1ccc2cccnc2n1 Amb35640744 [0,0,1,0,0,1|2,0,0]=4 1646 B15R2.352 CCNCc1ccc2cnccc2c1 Amb27979430 [0,0,1,0,0,1|2,0,0]=4 1647 B15R2.352 CCNCc1ccc2ncccc2c1 Amb1995119 [0,0,1,0,0,1|2,0,0]=4 1648 B15R2.352 CCNCc1cnc2ccccc2c1 Amb1995113 [0,0,1,0,0,1|0,0,1]=3 1649 B15R2.352 CCNSc1ccc2ccccc2n1 Amb27854234 [0,0,1,0,0,1|2,0,0]=4 1650 B15R2.352 CCOCc1cnc2ccccc2n1 Amb27843681 [0,0,1,0,0,1|1,0,1]=4 1651 B15R2.352 CONCc1ccc2ccccc2n1 Amb27213147 [0,0,1,0,0,1|2,0,0]=4 1652 B15R2.18471 CCCCc1cccc2ccccc12 Amb10556080 [0,0,1,0,0,1|2,0,0]=4 1653 B15R2.18471 CCCCc1nccc2ccccc12 Amb10562265 [0,0,1,0,0,1|2,0,0]=4 1654 B15R2.18471 CCNCC1CCNc2ccccc21 Amb27418136 [0,0,1,0,0,1|0,0,2]=4 1655 B15R2.18471 CCNCC1CNCc2ccccc21 Amb27648210 [0,0,1,0,0,1|0,0,2]=4 1656 B15R2.18471 CCNCc1cccc2ccccc12 Amb1922692 [0,0,1,0,0,1|1,0,0]=3 1657 B15R2.18471 CCNCc1cccc2ccccc12 Amb6864712 [0,0,1,0,0,1|1,0,0]=3 1658 B15R2.18471 CCNCc1cccc2cccnc12 Amb1995123 [0,0,1,0,0,1|2,0,0]=4 1659 B15R2.18471 CCNCc1cccc2ccncc12 Amb27183661 [0,0,1,0,0,1|2,0,0]=4 1660 B15R2.18471 CCNCc1cccc2cnccc12 Amb1995130 [0,0,1,0,0,1|2,0,0]=4 1661 B15R2.18471 CCNCc1cccc2ncccc12 Amb1995114 [0,0,1,0,0,1|2,0,0]=4 1662 B15R2.18471 CCNCc1nccc2ccccc12 Amb18981147 [0,0,1,0,0,1|1,0,0]=3 1663 B15R2.18471 CCOCc1nccc2ccccc12 Amb27621667 [0,0,1,0,0,1|2,0,0]=4 1664 B15R2.2167 C(=C1/CCCNCC1)/c2ccccc2 Amb27189481 [0,0,1,0,0,1|1,0,1]=4 1665 B15R2.2167 c1ccc(NC2=NCCCCC2)cc1 Amb22549304 [0,0,1,0,0,1|1,0,1]=4 1666 B15R2.2167 c1ccc(NC2=NCCCCC2)cc1 Amb3466931 [0,0,1,0,0,1|1,0,1]=4 1667 B15R2.2167 c1ccc(NC2=NCCCCN2)cc1 Amb27642372 [0,0,1,0,0,1|2,0,0]=4 1668 B15R2.2167 c1ccc(NC2CCCNCC2)cc1 Amb32412596 [0,0,1,0,0,1|0,0,2]=4 1669 B15R2.2195 C(Cc1ccccc1)=C2CCNCC2 Amb25978714 [0,0,1,0,0,1|1,0,1]=4 1670 B15R2.2195 C1=C(CCc2ccccc2)CCCC1 Amb24573687 [0,0,1,0,0,1|2,0,0]=4 1671 B15R2.2195 C1=C(CCc2ccccc2)CCNC1 Amb26858301 [0,0,1,0,0,1|1,0,0]=3 1672 B15R2.2195 C1=C(CNc2ccccc2)CCCC1 Amb27387064 [0,0,1,0,0,1|1,0,0]=3 1673 B15R2.2195 C1=C(CNc2ccccn2)CCCC1 Amb27476999 [0,0,1,0,0,1|2,0,0]=4 1674 B15R2.2195 C1=C(CNc2cccnn2)CCNC1 Amb27412852 [0,0,1,0,0,1|2,0,0]=4 1675 B15R2.2195 C1=C(CNc2ccncc2)CCCC1 Amb27491110 [0,0,1,0,0,1|2,0,0]=4 1676 B15R2.2195 C1=C(CNc2ccncn2)CCNC1 Amb28135980 [0,0,1,0,0,1|2,0,0]=4 1677 B15R2.2195 C1=C(CNc2cnccn2)CCNC1 Amb28123952 [0,0,1,0,0,1|2,0,0]=4 1678 B15R2.2195 C1=C(NCc2ccccc2)CCCC1 Amb27971831 [0,0,1,0,0,1|1,0,0]=3 1679 B15R2.2195 C1=C(\C=C\c2ccccc2)CCNC1 Amb27747179 [0,0,1,0,0,1|1,0,0]=3 1680 B15R2.2195 c1ccc(CNC2CCNCC2)cc1 Amb18971352 [0,0,1,0,0,1|0,0,2]=4 1681 B15R2.2195 c1ccc(CNC2CCNCC2)cc1 Amb19892673 [0,0,1,0,0,1|0,0,2]=4 1682 B15R2.2195 c1ccc(NCC2CCNCC2)cc1 Amb17234994 [0,0,1,0,0,1|0,0,2]=4 1683 B15R2.2195 c1ccc(NN=C2CCCCC2)cc1 Amb2721347 [0,0,1,0,0,1|1,0,1]=4 1684 B15R2.54 NC1CCCCC=C1c2ccccc2 Amb27754688 [0,0,1,0,0,1|1,0,1]=4 1685 B15R2.54 NC1CCNCCC1c2ccccc2 Amb27440875 [0,0,1,0,0,1|0,0,2]=4 1686 B15R2.54 O=C1CCNCCN1c2ccccc2 Amb18564771 [0,0,1,0,0,1|2,0,0]=4 1687 B15R2.543 O=C1C=C(c2ccccc2)CCCC1 Amb27853297 [0,0,1,0,0,1|2,0,0]=4 1688 B15R2.8789 Nc1ccccc1C2=CCCCCC2 Amb17107098 [0,0,1,0,0,1|1,0,0]=3 1689 B15R2.8789 Nc1ccccc1C2=NCCCCN2 Amb27747086 [0,0,1,0,0,1|2,0,0]=4 1690 B15R2.8789 Nc1ccccc1N2CCCNCC2 Amb26040053 [0,0,1,0,0,1|1,0,1]=4 1691 B15R2.8789 Nc1cccnc1C2=CCCCCC2 Amb27223762 [0,0,1,0,0,1|2,0,0]=4 1692 B15R2.8789 Nc1cnccc1C2=CCCCCC2 Amb27796910 [0,0,1,0,0,1|2,0,0]=4 1693 B15R2.886 CCCC1=CC(=O)c2ccccc2N1 Amb19046468 [0,0,1,0,0,1|2,0,0]=4 1694 B15R2.886 Cc1cc(CCN)cc2cccnc12 Amb18353267 [0,0,1,0,0,1|2,0,0]=4 1695 B15R2.886 Cc1cc(CCO)nc2ccccc12 Amb24672473 [0,0,1,0,0,1|1,0,1]=4 1696 B15R2.886 Cc1nc(CCN)cc2ccccc12 Amb24405896 [0,0,1,0,0,1|1,0,0]=3 1697 B15R2.886 Cc1nc(CCN)nc2ccccc12 Amb18137486 [0,0,1,0,0,1|0,0,1]=3 1698 B15R2.886 Cc1nc(CNN)nc2ccccc12 Amb27407917 [0,0,1,0,0,1|1,0,1]=4 1699 B15R2.886 NCCC1=Nc2ccccc2C(=O)N1 Amb18016821 [0,0,1,0,0,1|1,0,1]=4 1700 B15R2.886 NCCC1=Nc2ccccc2C(=O)N1 Amb19550600 [0,0,1,0,0,1|1,0,1]=4 1701 B15R2.886 NCCC1N=C(N)c2ccccc2N1 Amb27607083 [0,0,1,0,0,1|1,0,1]=4 1702 B15R2.886 NCCc1nc(O)c2ccccc2n1 Amb18669582 [0,0,1,0,0,1|1,0,1]=4 1703 B15R2.888 CCCc1cc2ccccc2nc1C Amb27263662 [0,0,1,0,0,1|2,0,0]=4 1704 B15R2.888 Cc1cc2ccccc2nc1CCN Amb17578458 [0,0,1,0,0,1|0,0,1]=3 1705 B15R2.888 Cc1nc2ccccc2cc1CCN Amb17578455 [0,0,1,0,0,1|1,0,0]=3 1706 B15R2.888 Cc1nc2ccccc2nc1CCN Amb6892627 [0,0,1,0,0,1|0,0,1]=3 1707 B15R2.888 Cc1nc2ccccc2nc1CCO Amb8439494 [0,0,1,0,0,1|1,0,1]=4 1708 B15R2.888 NCCC1=Cc2ccccc2NC1=O Amb18010538 [0,0,1,0,0,1|2,0,0]=4 1709 B15R2.888 NCCC1=Cc2ccccc2NC1=O Amb18909682 [0,0,1,0,0,1|2,0,0]=4 1710 B15R2.888 NCCC1=Cc2ccccc2OC1=O Amb27263826 [0,0,1,0,0,1|2,0,0]=4 1711 B15R2.888 NCCc1cc2ccccc2cc1N Amb25860800 [0,0,1,0,0,1|2,0,0]=4 1712 B15R2.888 NCCc1cc2ccccc2nc1Cl Amb26561373 [0,0,1,0,0,1|2,0,0]=4 1713 B15R2.2220 Cc1c(CCCl)ccc2ccccc12 Amb27776862 [0,0,1,0,0,1|2,0,0]=4 1714 B15R2.2220 Cc1c(CCN)ccc2ccccc12 Amb27199021 [0,0,1,0,0,1|1,0,0]=3 1715 B15R2.2220 NCCC1=C(Cl)c2ccccc2CC1 Amb27619146 [0,0,1,0,0,1|2,0,0]=4 1716 B15R2.2220 NCCC1=COc2ccccc2C1=O Amb25865889 [0,0,1,0,0,1|2,0,0]=4 1717 B15R2.2220 NCCc1ccc2ccccc2c1F Amb28280797 [0,0,1,0,0,1|2,0,0]=4 1718 B15R2.2220 NCCc1ccc2ccccc2c1O Amb18191126 [0,0,1,0,0,1|2,0,0]=4 1719 B15R2.4392 CCCC1=CC(C)Nc2ccccc21 Amb27749179 [0,0,1,0,0,1|1,0,1]=4 1720 B15R2.4392 CCCc1nc(C)cc2ccccc12 Amb27665973 [0,0,1,0,0,1|2,0,0]=4 1721 B15R2.4392 CNCC1=CC(=O)Nc2ccccc21 Amb19904243 [0,0,1,0,0,1|1,0,0]=3 1722 B15R2.4392 CNCC1CC(=O)Nc2ccccc21 Amb24507120 [0,0,1,0,0,1|1,0,1]=4 1723 B15R2.4392 CNCc1cc(C)cc2ccccc12 Amb27747234 [0,0,1,0,0,1|1,0,0]=3 1724 B15R2.4392 CNCc1cc(C)nc2ccccc12 Amb8853658 [0,0,1,0,0,1|0,0,1]=3 1725 B15R2.4392 Cc1cc(CNN)c2ccccc2n1 Amb28990891 [0,0,1,0,0,1|1,0,1]=4 1726 B15R2.4392 Cc1cc(CNN)c2ccccc2n1 Amb33552776 [0,0,1,0,0,1|1,0,1]=4 1727 B15R2.4392 Cc1cc(CNN)c2ccccc2n1 Amb6272932 [0,0,1,0,0,1|1,0,1]=4 1728 B15R2.4392 Cc1cc(CNO)c2ccccc2n1 Amb27145537 [0,0,1,0,0,1|1,0,1]=4 1729 B15R2.9941 CNCc1c(C)ccc2ncccc12 Amb21967916 [0,0,1,0,0,1|2,0,0]=4 1730 B15R2.9941 CNCc1c(C)nnc2ccccc12 Amb27631619 [0,0,1,0,0,1|0,0,1]=3 1731 B15R2.117 CCc1cc2ccccc2nc1NN Amb5746610 [0,0,1,0,0,1|2,0,0]=4 1732 B15R2.117 CCc1nc2ccccc2cc1CN Amb32695578 [0,0,1,0,0,1|0,0,1]=3 1733 B15R2.117 CCc1nc2ccccc2cc1NN Amb33134416 [0,0,1,0,0,1|1,0,1]=4 1734 B15R2.117 CCc1nc2ccccc2nc1CC Amb2734847 [0,0,1,0,0,1|1,0,1]=4 1735 B15R2.117 CCc1nc2ccccc2nc1CN Amb27977798 [0,0,1,0,0,1|0,0,1]=3 1736 B15R2.117 CCc1nc2ccccc2nc1NN Amb18649978 [0,0,1,0,0,1|1,0,1]=4 1737 B15R2.117 COc1cc2ccccc2cc1CN Amb18909616 [0,0,1,0,0,1|2,0,0]=4 1738 B15R2.117 COc1nc2ccccc2cc1CN Amb7779829 [0,0,1,0,0,1|1,0,1]=4 1739 B15R2.117 CSc1nc2ccccc2cc1CN Amb27169692 [0,0,1,0,0,1|1,0,1]=4 1740 B15R2.117 NCc1cc2ccccc2cc1CN Amb25753477 [0,0,1,0,0,1|2,0,0]=4 1741 B15R2.117 NCc1cc2ccccc2nc1CO Amb27413653 [0,0,1,0,0,1|1,0,1]=4 1742 B15R2.1851 CCc1cc(CC)c2ccccc2n1 Amb24545726 [0,0,1,0,0,1|1,0,1]=4 1743 B15R2.1851 CCc1cc(CCl)c2ccccc2n1 Amb27876277 [0,0,1,0,0,1|1,0,1]=4 1744 B15R2.1851 CNc1cc(CN)c2ccccc2n1 Amb18252983 [0,0,1,0,0,1|1,0,1]=4 1745 B15R2.1851 COc1cc(CN)c2ccccc2c1 Amb26551165 [0,0,1,0,0,1|2,0,0]=4 1746 B15R2.1851 COc1cc(CN)c2ccccc2n1 Amb18960004 [0,0,1,0,0,1|1,0,1]=4 1747 B15R2.1851 CSc1cc(CN)c2ccccc2n1 Amb18912361 [0,0,1,0,0,1|1,0,1]=4 1748 B15R2.2115 CCc1ccc2ccccc2c1CBr Amb32695462 [0,0,1,0,0,1|2,0,0]=4 1749 B15R2.2115 CCc1ccc2ccccc2c1CCl Amb28346631 [0,0,1,0,0,1|2,0,0]=4 1750 B15R2.2115 CCc1ccc2ccccc2c1CN Amb32686533 [0,0,1,0,0,1|1,0,0]=3 1751 B15R2.2115 CCc1ccc2ccccc2c1CN Amb32686534 [0,0,1,0,0,1|1,0,0]=3 1752 B15R2.2115 CCc1ccc2ccccc2c1CO Amb27603246 [0,0,1,0,0,1|2,0,0]=4 1753 B15R2.2115 CCc1ncc2ccccc2c1CC Amb2698495 [0,0,1,0,0,1|1,0,1]=4 1754 B15R2.2115 COc1ccc2ccccc2c1CN Amb1971450 [0,0,1,0,0,1|2,0,0]=4 1755 B15R2.2115 COc1ccc2ccccc2c1CN Amb29083246 [0,0,1,0,0,1|2,0,0]=4 1756 B15R2.2115 COc1cnc2ccccc2c1CN Amb25167117 [0,0,1,0,0,1|1,0,1]=4 1757 B15R2.2115 NCc1ccc2ccccc2c1CN Amb27595608 [0,0,1,0,0,1|2,0,0]=4 1758 B17R3.1829 c1ccc2nc3c(cc2c1)CNCCN3 Amb31112174 [0,0,0,0,0,2|0,0,1]=3