0 B18R3.4953944 Cc1ccc2c(c1)c3c(n2C)C(N)CCC3 Amb9173992 [0,0,0,0,0,0|1,0,0]=1 1 B18R3.4953944 Cn1c2c(c3cc(Br)ccc31)CCCC2=O Amb612728 [0,0,0,0,0,0|1,0,2]=3 2 B17R3.31713 Cc1ccc2c(c1)c3c(n2C)CCNC3 Amb18894701 [1,0,0,0,0,0|1,0,0]=2 3 B17R3.31713 Cc1ccc2c(c1)c3c(n2C)CNCC3 Amb18894698 [1,0,0,0,0,0|1,0,0]=2 4 B17R3.31713 Cn1c2c(c3cc(Br)ccc31)CCCC2 Amb17574379 [1,0,0,0,0,0|1,0,0]=2 5 B17R3.31713 Cn1c2c(c3cc(Br)ccc31)CCNC2 Amb17574401 [1,0,0,0,0,0|2,0,0]=3 6 B17R3.31713 Cn1c2c(c3cc(Br)ccc31)CNCC2 Amb17574400 [1,0,0,0,0,0|2,0,0]=3 7 B17R3.31713 Cn1c2c(c3cc(Cl)ccc31)CCNC2 Amb18244613 [1,0,0,0,0,0|2,0,0]=3 8 B17R3.31713 Cn1c2c(c3cc(Cl)ccc31)CNCC2 Amb18244628 [1,0,0,0,0,0|2,0,0]=3 9 B17R3.31713 Cn1c2c(c3cc(F)ccc31)CCNC2 Amb18895154 [1,0,0,0,0,0|2,0,0]=3 10 B17R3.31713 Cn1c2c(c3cc(F)ccc31)CNCC2 Amb10179789 [1,0,0,0,0,0|2,0,0]=3 11 B17R3.31713 Cn1c2c(c3cc(N)ccc31)CCCC2 Amb9784270 [1,0,0,0,0,0|1,0,0]=2 12 B17R3.31713 Cn1c2c(c3cc(N)ccc31)CCNC2 Amb17570855 [1,0,0,0,0,0|2,0,0]=3 13 B17R3.31713 Cn1c2c(c3cc(N)ccc31)CNCC2 Amb17570854 [1,0,0,0,0,0|2,0,0]=3 14 B17R3.31713 Cn1c2c(c3cc(O)ccc31)CCCC2 Amb28905947 [1,0,0,0,0,0|1,0,0]=2 15 B17R3.51174 CC1NCCc2c1n(C)c3ccccc23 Amb18810509 [1,0,0,0,0,0|2,0,0]=3 16 B17R3.51174 Cn1c2c(c3ccccc31)CCCC2=O Amb4468167 [1,0,0,0,0,0|0,0,2]=3 17 B17R2.4245 CNCc1c(C#N)n(C)c2ccc(C)cc12 Amb32758561 [0,0,1,0,0,0|2,0,1]=4 18 B17R2.49976 CCCC(N)c1nc2cc(Br)ccc2n1C Amb18102450 [0,0,1,0,0,0|3,0,0]=4 19 B17R2.49976 CCCC(N)c1nc2cc(Cl)ccc2n1C Amb24110322 [0,0,1,0,0,0|3,0,0]=4 20 B17R2.49976 Cc1ccc2c(c1)cc(C(O)CCN)n2C Amb18768984 [0,0,1,0,0,0|1,0,0]=2 21 B17R2.49976 Cn1c(C(O)CCN)cc2cc(Cl)ccc21 Amb18157917 [0,0,1,0,0,0|2,0,0]=3 22 B17R2.982539 CCNCCc1cn(C)c2ccc(C)cc12 Amb18244455 [0,0,1,0,0,0|2,0,0]=3 23 B17R2.982539 CCNCCc1cn(C)c2ccc(Cl)cc12 Amb18899698 [0,0,1,0,0,0|3,0,0]=4 24 B17R2.982539 CCNCCc1cn(C)c2ccc(F)cc12 Amb18245500 [0,0,1,0,0,0|3,0,0]=4 25 B17R2.982539 CNCCCc1cn(C)c2ccc(C)cc12 Amb18896489 [0,0,1,0,0,0|2,0,0]=3 26 B17R2.982539 CNCCCc1cn(C)c2ccc(Cl)cc12 Amb18246527 [0,0,1,0,0,0|3,0,0]=4 27 B17R2.982539 CNCCCc1cn(C)c2ccc(F)cc12 Amb18245499 [0,0,1,0,0,0|3,0,0]=4 28 B16R2.109159 CNCc1c(C)n(C)c2ccc(Br)cc12 Amb18906170 [1,0,1,0,0,0|2,0,0]=4 29 B16R2.109159 CNCc1c(C)n(C)c2ccc(C)cc12 Amb18894861 [1,0,1,0,0,0|1,0,0]=3 30 B16R2.109159 CNCc1c(C)n(C)c2ccc(Cl)cc12 Amb18244987 [1,0,1,0,0,0|2,0,0]=4 31 B16R2.109159 CNCc1c(C)n(C)c2ccc(F)cc12 Amb18895560 [1,0,1,0,0,0|2,0,0]=4 32 B16R2.109159 Cc1c(CCN)c2cc(Br)ccc2n1C Amb18906171 [1,0,1,0,0,0|2,0,0]=4 33 B16R2.109159 Cc1c(CCN)c2cc(Cl)ccc2n1C Amb18244991 [1,0,1,0,0,0|2,0,0]=4 34 B16R2.109159 Cc1c(CCN)c2cc(F)ccc2n1C Amb18895561 [1,0,1,0,0,0|2,0,0]=4 35 B16R2.109159 Cc1c(CCO)c2cc(Br)ccc2n1C Amb18906280 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.109159 Cc1c(CCO)c2cc(Cl)ccc2n1C Amb18245286 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.109159 Cc1c(CCO)c2cc(F)ccc2n1C Amb18895740 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.109159 Cc1ccc2c(c1)c(CC#N)c(C)n2C Amb18894573 [1,0,1,0,0,0|1,0,1]=4 39 B16R2.109159 Cc1ccc2c(c1)c(CCN)c(C)n2C Amb18894862 [1,0,1,0,0,0|1,0,0]=3 40 B16R2.109159 Cc1ccc2c(c1)c(CCO)c(C)n2C Amb18895023 [1,0,1,0,0,0|1,0,0]=3 41 B16R2.2245 CCc1ccccc1C2=CC(Cl)CCC2 Amb28191840 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.2245 COc1ccccc1C2=CC(O)CNC2 Amb32989253 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.2443 Cc1ccc(C=O)c(C2=CCCCC2)c1 Amb27250180 [1,0,1,0,0,0|2,0,0]=4 44 B16R2.2911 Cc1ccc(C)c(C2=CC(N)CNC2)c1 Amb32989567 [1,0,1,0,0,0|2,0,0]=4 45 B16R2.2911 Cc1ccc(F)c(C2=CC(Cl)CCC2)c1 Amb27869363 [1,0,1,0,0,0|2,0,0]=4 46 B16R2.2911 Cc1ccc(F)c(C2=CC(O)CNC2)c1 Amb32989268 [1,0,1,0,0,0|2,0,0]=4 47 B16R2.2911 Cc1ccc(F)cc1C2=CC(O)CNC2 Amb32989325 [1,0,1,0,0,0|2,0,0]=4 48 B16R2.2911 Cc1cnc(N)c(C2=CC(O)CNC2)c1 Amb32989304 [1,0,1,0,0,0|2,0,0]=4 49 B16R2.755 CCCC(N)c1cc2cc(C)ccc2o1 Amb32991387 [1,0,1,0,0,0|2,0,0]=4 50 B16R2.755 CCC[C@@H](N)c1cc2cc(C)ccc2o1 Amb32991628 [1,0,1,0,0,0|2,0,0]=4 51 B16R2.755 CCC[C@H](N)c1cc2cc(C)ccc2o1 Amb32991504 [1,0,1,0,0,0|2,0,0]=4 52 B16R2.757 CC(CCN)c1cc2ccccc2n1C Amb33345335 [1,0,1,0,0,0|2,0,0]=4 53 B16R2.757 CCCC(N)c1nc2ccccc2n1C Amb9494757 [1,0,1,0,0,0|2,0,0]=4 54 B16R2.757 CCCC(O)c1nc2ccccc2n1C Amb1971138 [1,0,1,0,0,0|1,0,0]=3 55 B16R2.757 CNCC(O)c1cc2ccccc2n1C Amb33079623 [1,0,1,0,0,0|1,0,0]=3 56 B16R2.757 Cn1c(C(F)CCN)cc2ccccc21 Amb33344347 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.757 Cn1c(C(N)CCO)cc2ccccc21 Amb33449640 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.757 Cn1c(C(O)CC#N)cc2ccccc21 Amb33344736 [1,0,1,0,0,0|1,0,1]=4 59 B16R2.757 Cn1c(C(O)CCN)cc2ccccc21 Amb18176680 [1,0,1,0,0,0|1,0,0]=3 60 B16R2.757 Cn1c([C@@H](O)CCN)cc2ccccc21 Amb33344759 [1,0,1,0,0,0|1,0,0]=3 61 B16R2.757 Cn1c([C@H](O)CCN)cc2ccccc21 Amb33344771 [1,0,1,0,0,0|1,0,0]=3 62 B16R2.12172 CCCCc1nc2cc(N)ccc2n1C Amb18864875 [1,0,1,0,0,0|2,0,0]=4 63 B16R2.12172 Cc1ccc2c(c1)nc(CCCN)n2C Amb5731110 [1,0,1,0,0,0|2,0,0]=4 64 B16R2.12172 Cc1ccc2c(c1)nc(CCCO)n2C Amb18102638 [1,0,1,0,0,0|2,0,0]=4 65 B16R2.33916 CCC(Br)c1nc2cc(C)ccc2n1C Amb18618428 [1,0,1,0,0,0|2,0,0]=4 66 B16R2.5769 Cc1c(CCN)n(C)c2ccc(Br)cc12 Amb18906185 [1,0,1,0,0,0|2,0,0]=4 67 B16R2.5769 Cc1c(CCN)n(C)c2ccc(Cl)cc12 Amb18245077 [1,0,1,0,0,0|2,0,0]=4 68 B16R2.5769 Cc1c(CCN)n(C)c2ccc(F)cc12 Amb18895580 [1,0,1,0,0,0|2,0,0]=4 69 B16R2.5769 Cc1ccc2c(c1)c(C)c(CCN)n2C Amb18894915 [1,0,1,0,0,0|1,0,0]=3 70 B16R2.34051 Cn1c(C(O)CCl)c(Br)c2ccccc21 Amb33430446 [1,0,1,0,0,0|2,0,0]=4 71 B16R2.34051 Cn1c(C(O)CF)c(Br)c2ccccc21 Amb33430487 [1,0,1,0,0,0|2,0,0]=4 72 B16R2.34051 Cn1c(C(O)CN)c(Br)c2ccccc21 Amb33484706 [1,0,1,0,0,0|2,0,0]=4 73 B16R2.34051 Cn1c(C(O)CO)c(Br)c2ccccc21 Amb33430508 [1,0,1,0,0,0|2,0,0]=4 74 B16R2.34051 Cn1c([C@@H](O)CN)c(Br)c2ccccc21 Amb33435801 [1,0,1,0,0,0|2,0,0]=4 75 B16R2.34051 Cn1c([C@H](O)CN)c(Br)c2ccccc21 Amb33435806 [1,0,1,0,0,0|2,0,0]=4 76 B16R2.98486 Cc1ccc2c(c1)c(C)c(C(=O)O)n2C Amb2722043 [1,0,1,0,0,0|1,0,1]=4 77 B16R2.48851 CC(C)c1c(CN)c2ccccc2n1C Amb5781895 [1,0,1,0,0,0|2,0,0]=4 78 B16R2.48851 CCc1c(C(=O)O)n(C)c2ccccc12 Amb31112512 [1,0,1,0,0,0|1,0,1]=4 79 B16R2.6329 CCCNCc1cn(C)c2ccccc12 Amb18566605 [1,0,1,0,0,0|2,0,0]=4 80 B16R2.6329 CCCNCc1cn(C)c2ccccc12 Amb21969142 [1,0,1,0,0,0|2,0,0]=4 81 B16R2.6329 CCNCCc1cn(C)c2ccccc12 Amb17193964 [1,0,1,0,0,0|2,0,0]=4 82 B16R2.6329 CNCCCc1cn(C)c2ccccc12 Amb18566602 [1,0,1,0,0,0|2,0,0]=4 83 B16R2.6329 Cn1cc(CCCC#N)c2ccccc21 Amb18864168 [1,0,1,0,0,0|1,0,1]=4 84 B16R2.6329 Cn1cc(CCCC=O)c2ccccc21 Amb18864391 [1,0,1,0,0,0|0,0,2]=4 85 B16R2.6329 Cn1cc(CCCCN)c2ccccc21 Amb18566607 [1,0,1,0,0,0|1,0,0]=3 86 B16R2.6329 Cn1cc(CCCCN)c2cccnc21 Amb32879245 [1,0,1,0,0,0|2,0,0]=4 87 B16R2.6329 Cn1cc(CCCCO)c2ccccc21 Amb18864865 [1,0,1,0,0,0|0,0,0]=2 88 B16R2.6329 Cn1cc(CCCCS)c2ccccc21 Amb18570814 [1,0,1,0,0,0|0,1,0]=3 89 B16R2.6329 Cn1cc(CNCCO)c2ccccc21 Amb18865030 [1,0,1,0,0,0|1,0,0]=3 90 B16R2.6329 Cn1cc(CNCCO)c2ccccc21 Amb21969129 [1,0,1,0,0,0|1,0,0]=3 91 B16R2.6329 Cn1cc(OCCCN)c2ccccc21 Amb33319454 [1,0,1,0,0,0|2,0,0]=4 92 B16R2.6329 Cn1nc(CCCCN)c2ccccc21 Amb33449317 [1,0,1,0,0,0|2,0,0]=4 93 B16R2.165527 CNCCc1cn(C)c2ccc(Br)cc12 Amb18906166 [1,0,1,0,0,0|2,0,0]=4 94 B16R2.165527 CNCCc1cn(C)c2ccc(C)cc12 Amb18894857 [1,0,1,0,0,0|1,0,0]=3 95 B16R2.165527 CNCCc1cn(C)c2ccc(Cl)cc12 Amb18244967 [1,0,1,0,0,0|2,0,0]=4 96 B16R2.165527 CNCCc1cn(C)c2ccc(F)cc12 Amb18895556 [1,0,1,0,0,0|2,0,0]=4 97 B16R2.165527 Cc1ccc2c(c1)c(CCC#N)cn2C Amb18894572 [1,0,1,0,0,0|1,0,1]=4 98 B16R2.165527 Cc1ccc2c(c1)c(CCCN)cn2C Amb18064340 [1,0,1,0,0,0|1,0,0]=3 99 B16R2.165527 Cc1ccc2c(c1)c(CCCO)cn2C Amb18562279 [1,0,1,0,0,0|0,0,0]=2 100 B16R2.165527 Cn1cc(CCCN)c2cc(Br)ccc21 Amb18064347 [1,0,1,0,0,0|2,0,0]=4 101 B16R2.165527 Cn1cc(CCCN)c2cc(Cl)ccc21 Amb18064346 [1,0,1,0,0,0|2,0,0]=4 102 B16R2.165527 Cn1cc(CCCN)c2cc(F)ccc21 Amb18064345 [1,0,1,0,0,0|2,0,0]=4 103 B16R2.165527 Cn1cc(CCCO)c2cc(Br)ccc21 Amb18064324 [1,0,1,0,0,0|1,0,0]=3 104 B16R2.165527 Cn1cc(CCCO)c2cc(Cl)ccc21 Amb18562284 [1,0,1,0,0,0|1,0,0]=3 105 B16R2.165527 Cn1cc(CCCO)c2cc(F)ccc21 Amb18562283 [1,0,1,0,0,0|1,0,0]=3 106 B16R3.2583 Cc1ccc2c(c1)[C@H]3CCCC[C@H]3N2 Amb28196321 [2,0,0,0,0,0|0,0,2]=4 107 B16R3.2583 Nc1ccc2oc3c(c2c1)CCCC3 Amb6315823 [2,0,0,0,0,0|2,0,0]=4 108 B16R3.2583 Nc1ccc2oc3c(c2c1)CCCC3 Amb6872192 [2,0,0,0,0,0|2,0,0]=4 109 B16R3.2583 Oc1ccc2oc3c(c2c1)CCCC3 Amb1152694 [2,0,0,0,0,0|2,0,0]=4 110 B16R3.20606 CN1C2=NCCCN2c3ccccc31 Amb17916492 [2,0,0,0,0,0|2,0,0]=4 111 B16R3.20606 Cn1c2c(c3ccccc31)CCCC2 Amb4040725 [2,0,0,0,0,0|0,0,0]=2 112 B16R3.20606 Cn1c2c(c3ccccc31)CCNC2 Amb18821915 [2,0,0,0,0,0|1,0,0]=3 113 B16R3.20606 Cn1c2c(c3ccccc31)CNCC2 Amb6336961 [2,0,0,0,0,0|1,0,0]=3 114 B16R3.20606 Cn1c2c(c3cccnc31)CCNC2 Amb28137887 [2,0,0,0,0,0|2,0,0]=4 115 B16R3.3329 BrC1CCCc2c1sc3ccccc23 Amb27258888 [2,0,0,0,0,0|2,0,0]=4 116 B16R3.3329 O[C@H]1CCCn2c1nc3ccccc32 Amb27805328 [2,0,0,0,0,0|1,0,1]=4 117 B18R2.8457 CCNCc1c(C#N)n(C)c2ccc(C)cc12 Amb32758534 [0,1,1,0,0,0|1,0,1]=4 118 B18R2.81877 CCCC(N)c1nc2cc(CC)ccc2n1C Amb18618597 [0,1,1,0,0,0|2,0,0]=4 119 B18R2.81877 CCCC(N)c1nc2cc(OC)ccc2n1C Amb18103164 [0,1,1,0,0,0|2,0,0]=4 120 B18R2.144994 CCNCCc1cn(C)c2c(C)cc(C)cc12 Amb18897659 [0,1,1,0,0,0|2,0,0]=4 121 B18R2.144994 CNCCCc1cn(C)c2c(C)cc(C)cc12 Amb18897658 [0,1,1,0,0,0|2,0,0]=4 122 B18R2.508866 Cc1ccc2c(c1)c(CCCC(=O)O)cn2C Amb18897831 [0,1,1,0,0,0|0,0,1]=3 123 B18R2.508866 Cc1ccc2c(c1)c(CCNC(C)C)cn2C Amb18897571 [0,1,1,0,0,0|2,0,0]=4 124 B18R2.508866 Cn1cc(CCCC(=O)O)c2cc(Cl)ccc21 Amb18902972 [0,1,1,0,0,0|1,0,1]=4 125 B18R2.508866 Cn1cc(CCCC(=O)O)c2cc(F)ccc21 Amb18899217 [0,1,1,0,0,0|1,0,1]=4 126 B18R2.2426412 CCNCCc1c(C)n(C)c2ccc(C)cc12 Amb18897579 [0,1,1,0,0,0|2,0,0]=4 127 B18R2.2426412 CNCCCc1c(C)n(C)c2ccc(C)cc12 Amb18897578 [0,1,1,0,0,0|2,0,0]=4 128 B18R3.34877 CN1CCc2c(n(C)c3ccc(Br)cc23)C1 Amb17575257 [1,1,0,0,0,0|2,0,0]=4 129 B18R3.34877 CN1CCc2c(n(C)c3ccc(N)cc23)C1 Amb17571457 [1,1,0,0,0,0|2,0,0]=4 130 B18R3.99149 CN1CCc2c(c3cc(Br)ccc3n2C)C1 Amb17575258 [1,1,0,0,0,0|2,0,0]=4 131 B18R3.99149 CN1CCc2c(c3cc(N)ccc3n2C)C1 Amb17571458 [1,1,0,0,0,0|2,0,0]=4 132 B18R3.99149 Cc1ccc2c(c1)c3c(n2C)CCC(N)C3 Amb18559363 [1,1,0,0,0,0|0,0,0]=2 133 B18R3.99149 Cn1c2c(c3cc(Br)ccc31)CC(N)CC2 Amb18559368 [1,1,0,0,0,0|1,0,0]=3 134 B18R3.99149 Cn1c2c(c3cc(Cl)ccc31)CC(N)CC2 Amb18559367 [1,1,0,0,0,0|1,0,0]=3 135 B18R3.99149 Cn1c2c(c3cc(F)ccc31)CC(N)CC2 Amb18559365 [1,1,0,0,0,0|1,0,0]=3 136 B18R3.99149 Cn1c2c(c3cc(O)ccc31)CC(N)CC2 Amb18061627 [1,1,0,0,0,0|1,0,0]=3 137 B18R3.99207 Cc1ccc2c(c1)c3c(n2C)CCCC3=O Amb21984723 [1,1,0,0,0,0|0,0,1]=3 138 B18R3.99207 Cn1c2c(c3cc(Cl)ccc31)C(=O)CCC2 Amb21984726 [1,1,0,0,0,0|1,0,1]=4 139 B18R3.99207 Cn1c2c(c3cc(F)ccc31)C(=O)CCC2 Amb4040781 [1,1,0,0,0,0|1,0,1]=4 140 B18R3.174451 CCc1ccc2c(c1)c3c(n2C)CCNC3 Amb18896396 [1,1,0,0,0,0|1,0,0]=3 141 B18R3.174451 CCc1ccc2c(c1)c3c(n2C)CNCC3 Amb18244224 [1,1,0,0,0,0|1,0,0]=3 142 B18R3.174451 COc1ccc2c(c1)c3c(n2C)CCNC3 Amb6336963 [1,1,0,0,0,0|1,0,0]=3 143 B18R3.174451 COc1ccc2c(c1)c3c(n2C)CNCC3 Amb18244429 [1,1,0,0,0,0|1,0,0]=3 144 B18R3.174451 Cn1c2c(c3cc(CN)ccc31)CCCC2 Amb17193831 [1,1,0,0,0,0|0,0,0]=2 145 B18R3.788311 Cc1cc(C)c2c(c1)c3c(n2C)CCNC3 Amb18896398 [1,1,0,0,0,0|1,0,0]=3 146 B18R3.788311 Cc1cc(C)c2c(c1)c3c(n2C)CNCC3 Amb18244226 [1,1,0,0,0,0|1,0,0]=3 147 B18R3.153046 Cn1c2c(c3ccccc31)CCC\C2=N\O Amb1971704 [1,1,0,0,0,0|0,0,1]=3 148 B18R3.622434 Cn1c2c(c3ccccc31)CCNC2(C)C Amb18174011 [1,1,0,0,0,0|2,0,0]=4 149 B20R3.3541504 Cc1ccc2c(c1)c3c(n2CCCl)C(=O)CCC3 Amb590722 [0,2,0,0,0,0|0,0,2]=4 150 B18R3.53851 Cc1ccc2c(c1)c3c(n2C)CCNCC3 Amb31143443 [0,0,1,1,0,0|2,0,0]=4 151 B18R3.546933 Cc1ccc2c(c1)c(C3CCNC3)cn2C Amb18063972 [0,0,1,1,0,0|2,0,0]=4 152 B20R4.2858621 Cc1ccc2c(c1)c3c4n2CCNC4CCC3 Amb1098946 [0,1,0,1,0,0|1,0,0]=3 153 B20R4.2858621 Cc1ccc2c(c1)c3c4n2CCNC4CCC3 Amb2101399 [0,1,0,1,0,0|1,0,0]=3 154 B20R4.2858621 Cc1ccc2c(c1)c3c4n2CCNC4CCC3 Amb6882387 [0,1,0,1,0,0|1,0,0]=3 155 B16R2.6466 COc1ccc(C)cc1C2=CC(Cl)CC2 Amb27659603 [0,0,1,0,1,0|2,0,0]=4 156 B16R3.18509 Cn1c2c(c3cc(F)ccc31)CNC2 Amb27438636 [1,0,0,0,1,0|2,0,0]=4 157 B16R3.18377 Cn1c2c(c3ccccc31)CCC2N Amb27747048 [1,0,0,0,1,0|1,0,0]=3 158 B16R3.18394 Cc1ccc2nc3n(c2c1)CCC3O Amb27775811 [1,0,0,0,1,0|1,0,1]=4 159 B18R3.5898 Nc1c2c(nc3ccccc13)CCCC2O Amb2612697 [1,0,0,0,0,1|2,0,0]=4