0 B19R3.2370 C(C[n+]1ccccc1)c2c[nH]c3ccccc23 Amb19861046 [0,0,0,0,0,0|2,0,0]=2 1 B19R3.2370 C(C[n]1ccc2ccccc12)c3ccc[n]c3 Amb23973742 [0,0,0,0,0,0|4,0,0]=4 2 B19R3.2370 C(N[n]1c[n]c2ccccc12)c3ccccc3 Amb22450010 [0,0,0,0,0,0|3,0,1]=4 3 B19R3.2370 C(Nc1[n][s]c2ccccc21)c3ccccc3 Amb25662167 [0,0,0,0,0,0|4,0,0]=4 4 B19R3.2370 C(Nc1[s][n]c2ccccc21)c3ccccc3 Amb24333530 [0,0,0,0,0,0|3,0,1]=4 5 B19R3.2370 C(Nc1c[n]c2cccc[n]21)c3ccccc3 Amb23437242 [0,0,0,0,0,0|3,0,1]=4 6 B19R3.2370 C(Nc1c[n]ccc1)c2c[s]c3ccccc32 Amb23955436 [0,0,0,0,0,0|4,0,0]=4 7 B19R3.2370 C(Nc1ccccc1)c2[nH][n]c3ccccc32 Amb23947344 [0,0,0,0,0,0|3,0,1]=4 8 B19R3.2370 C(Nc1ccccc1)c2c[nH]c3ccccc32 Amb22482957 [0,0,0,0,0,0|2,0,0]=2 9 B19R3.2370 C(Oc1c[nH]c2ccccc21)c3ccccc3 Amb25064011 [0,0,0,0,0,0|2,0,0]=2 10 B19R3.2370 C(Sc1ccccc1)c2c[nH]c3ccccc32 Amb22450867 [0,0,0,0,0,0|2,0,0]=2 11 B19R3.2370 C(Sc1ccccc1)c2c[s]c3ccccc32 Amb22450866 [0,0,0,0,0,0|3,0,0]=3 12 B19R3.2370 C1=Nc2ccccc2C1=C=Cc3ccccc3 Amb22474528 [0,0,0,0,0,0|1,0,3]=4 13 B19R3.2370 c1ccc(cc1)C#Cc2csc3c2cccc3 Amb16664505 [0,0,0,0,0,0|2,0,2]=4 14 B19R3.2370 c1ccc(cc1)CC[n+]2csc3c2cccc3 Amb16203813 [0,0,0,0,0,0|3,0,0]=3 15 B19R3.2370 c1ccc(cc1)CCn2ccc3c2cccc3 Amb17244982 [0,0,0,0,0,0|3,0,0]=3 16 B19R3.2370 c1ccc(cc1)CCn2cnc3c2cccc3 Amb1219774 [0,0,0,0,0,0|2,0,1]=3 17 B19R3.2370 c1ccc(cc1)CCn2nnc3c2cccc3 Amb10555874 [0,0,0,0,0,0|3,0,1]=4 18 B19R3.2370 c1ccc(cc1)CCn2nnc3c2cccc3 Amb1261298 [0,0,0,0,0,0|3,0,1]=4 19 B19R3.2370 c1ccc(cc1)OC[n+]2csc3c2cccc3 Amb10554739 [0,0,0,0,0,0|4,0,0]=4 20 B19R3.2370 c1ccc(cc1)SCn2cnc3c2cccc3 Amb10554748 [0,0,0,0,0,0|3,0,1]=4 21 B19R3.2370 n1ccc(cc1)OCn2nnc3c2cccc3 Amb10562819 [0,0,0,0,0,0|3,0,1]=4 22 B20R3.500 O=C(Cc1ccccc1)c2c[nH]c3ccccc23 Amb17689291 [0,1,0,0,0,0|1,0,1]=3 23 B20R3.500 O=C(c1c[nH]c2c1cccc2)Cc3cccnc3 Amb17596468 [0,1,0,0,0,0|2,0,1]=4 24 B20R3.500 O=C(c1csc2c1cccc2)Nc3ccncc3 Amb2213563 [0,1,0,0,0,0|2,0,1]=4 25 B20R3.644 Brc1ccc(cc1)NCc2c[s]c3ccccc32 Amb23969372 [0,1,0,0,0,0|3,0,0]=4 26 B20R3.644 C[n+]1ccc(cc1)\C=C\c2c[nH]c3c2cccc3 Amb17735154 [0,1,0,0,0,0|0,0,3]=4 27 B20R3.2931 NC(Cc1c[nH]c2ccccc21)c3ccccc3 Amb22755746 [0,1,0,0,0,0|1,0,0]=2 28 B20R3.2931 NC(c1ccccc1)Cn2cnc3c2cccc3 Amb1140119 [0,1,0,0,0,0|2,0,1]=4 29 B20R3.2931 O=C(Cc1c[s]c2ccccc21)c3cc[n]c[n]3 Amb23978501 [0,1,0,0,0,0|2,0,1]=4 30 B20R3.2931 O=C(c1ccccc1)Cc2c[nH]c3c2cccc3 Amb17596446 [0,1,0,0,0,0|1,0,1]=3 31 B20R3.2931 O=C(c1ccncc1)Nc2c[nH]c3c2cccc3 Amb10836136 [0,1,0,0,0,0|1,0,1]=3 32 B20R3.2931 O=C(c1ccnnc1)Nc2c[nH]c3c2cccc3 Amb10830764 [0,1,0,0,0,0|2,0,1]=4 33 B20R3.2931 O=S(Cc1c[s]c2ccccc21)c3ccccc3 Amb22450869 [0,1,0,0,0,0|3,0,0]=4 34 B20R3.2931 OC(Cc1c[s]c2ccccc21)c3cc[n]c[n]3 Amb23978422 [0,1,0,0,0,0|2,0,0]=3 35 B20R3.2931 OC(c1ccccc1)Cn2cnc3c2cccc3 Amb1971109 [0,1,0,0,0,0|2,0,1]=4 36 B20R3.2931 OC(c1ccncc1)CN2CCc3c2cccc3 Amb17158938 [0,1,0,0,0,0|2,0,1]=4 37 B20R3.2931 OC(c1ccncc1)Cn2nnc3c2cccc3 Amb10565238 [0,1,0,0,0,0|2,0,1]=4 38 B20R3.2931 [O-]\[N+](=C/c1c[nH]c2c1cccc2)\c3ccccc3 Amb1159722 [0,1,0,0,0,0|2,0,1]=4 39 B20R3.5850 Nc1ccc2c(c1)ncn2CCc3ccccc3 Amb1073324 [0,1,0,0,0,0|2,0,1]=4 40 B20R3.5850 Nc1ccc2c(c1)ncn2CCc3ccccc3 Amb2452808 [0,1,0,0,0,0|2,0,1]=4 41 B20R3.8097 Brc1ccccc1NCc2c[s]c3ccccc32 Amb23969369 [0,1,0,0,0,0|3,0,0]=4 42 B20R3.8097 Cc1ccccc1\N=C\c2c[nH]c3c2cccc3 Amb1814026 [0,1,0,0,0,0|2,0,1]=4 43 B20R3.8097 Clc1ccccc1\N=C\c2c[nH]c3c2cccc3 Amb1773328 [0,1,0,0,0,0|2,0,1]=4 44 B20R3.8097 Fc1ccccc1NCc2c[s]c3ccccc32 Amb23955437 [0,1,0,0,0,0|3,0,0]=4 45 B20R3.8097 Nc1ccccc1CC[n]2ccc3ccccc23 Amb23950082 [0,1,0,0,0,0|3,0,0]=4 46 B20R3.8097 Nc1ccccc1\N=C\c2c[nH]c3c2cccc3 Amb1915048 [0,1,0,0,0,0|2,0,1]=4 47 B20R3.13142 Cc1cc2cccc[n]2c1CCc3cc[n]cc3 Amb24065743 [0,1,0,0,0,0|2,0,0]=3 48 B20R3.13142 Cc1cc2ccccc2[n]1CCc3ccccc3 Amb23973771 [0,1,0,0,0,0|3,0,0]=4 49 B20R3.13142 Cc1nc2c(n1CCc3ccccc3)cccc2 Amb1555077 [0,1,0,0,0,0|2,0,1]=4 50 B20R3.13142 O=C/1Nc2c(\C1=N/Nc3ccccc3)cccc2 Amb1012019 [0,1,0,0,0,0|3,0,0]=4 51 B20R3.13142 O=C/1Nc2ccccc2\C1=N\Cc3ccccc3 Amb22360106 [0,1,0,0,0,0|2,0,0]=3 52 B20R3.13142 O=C1Nc2ccccc2N1CCc3ccccc3 Amb18526878 [0,1,0,0,0,0|2,0,0]=3 53 B20R3.13142 O=C1Oc2ccccc2N1CCc3ccccc3 Amb18526128 [0,1,0,0,0,0|3,0,0]=4 54 B20R3.13142 O=C1Sc2ccccc2N1CCc3ccccc3 Amb18003964 [0,1,0,0,0,0|3,0,0]=4 55 B20R3.13142 O=c1sc2c(n1CCc3ccccc3)cccc2 Amb1219786 [0,1,0,0,0,0|3,0,0]=4 56 B20R3.13142 S=C1Nc2ccccc2N1CNc3ccccc3 Amb22359493 [0,1,0,0,0,0|3,0,0]=4 57 B20R3.14372 Ic1cc(ccc1)NCc2c[s]c3ccccc32 Amb23969488 [0,1,0,0,0,0|3,0,0]=4 58 B20R3.14372 Oc1cc(ccc1)NCc2c[s]c3ccccc32 Amb23955439 [0,1,0,0,0,0|3,0,0]=4 59 B20R3.148628 Clc1cc2c(cc1)[nH]cc2CCc3cc[n]cc3 Amb24089381 [0,1,0,0,0,0|0,0,0]=1 60 B20R3.148628 Fc1cc2c(cc1)[nH]cc2C=Cc3cc[n]cc3 Amb24081506 [0,1,0,0,0,0|0,0,2]=3 61 B20R3.3470528 Brc1cn(c2c1cccc2)CCc3ccncc3 Amb10554972 [0,1,0,0,0,0|2,0,0]=3 62 B20R3.3470528 C[n]1cc(CCc2cc[n]cc2)c3ccccc13 Amb24064705 [0,1,0,0,0,0|0,0,0]=1 63 B20R3.3470528 C[n]1cc(CCc2cc[n]cc2)c3ccccc13 Amb24064738 [0,1,0,0,0,0|0,0,0]=1 64 B20R3.3470528 Cn1cc(c2c1cccc2)CNc3cccnc3 Amb1990756 [0,1,0,0,0,0|3,0,0]=4 65 B20R3.3470528 Cn1cc(c2c1cccc2)\C=N\c3ccccc3 Amb2241269 [0,1,0,0,0,0|2,0,1]=4 66 B18R2.445 CCc1ccccc1OCCc2cc[n]cc2 Amb23913768 [0,0,1,0,0,0|2,0,1]=4 67 B18R2.2525 c1ccc(cc1)N\C=C\C=N\c2ccccc2 Amb1419375 [0,0,1,0,0,0|2,0,1]=4 68 B18R2.2525 c1ccc(cc1)N\C=C\C=N\c2ccccc2 Amb2421818 [0,0,1,0,0,0|2,0,1]=4 69 B18R2.2525 c1ccc(cc1)N\C=C\C=[NH+]\c2ccccc2 Amb1145186 [0,0,1,0,0,0|2,0,1]=4 70 B18R2.3606 N#CC(c1ccccc1)CCc2ccncc2 Amb17245662 [0,0,1,0,0,0|0,0,3]=4 71 B18R2.4001 CN(c1ncccc1N)CCc2ccncc2 Amb17067583 [0,0,1,0,0,0|2,0,1]=4 72 B18R2.4001 Nc1ccccc1C(=S)NCc2ccccc2 Amb25056864 [0,0,1,0,0,0|3,0,0]=4 73 B18R2.4001 [O-]c1ccccc1C(=O)CCc2ccccc2 Amb23523073 [0,0,1,0,0,0|3,0,0]=4 74 B20R4.2602 C1Cc2c(oc3ccccc23)-c4ccccc41 Amb24056760 [0,0,0,1,0,0|2,0,0]=3 75 B20R4.2602 C1Sc2ccccc2-c3[nH]c4ccccc4c31 Amb22353675 [0,0,0,1,0,0|2,0,0]=3 76 B20R4.2602 c1[n]c2ccccc2c3[nH]c4ccccc4c31 Amb24056700 [0,0,0,1,0,0|2,0,1]=4 77 B18R3.2098 C(=C1C=Cc2ccccc12)c3ccccc3 Amb22448425 [0,0,0,0,1,0|2,0,1]=4 78 B18R3.2098 C(c1c[nH]c2c[n]ccc21)c3ccccc3 Amb22755565 [0,0,0,0,1,0|2,0,0]=3 79 B18R3.2098 C(c1cc[n]cc1)[n]2ccc3ccc[n]c23 Amb24103791 [0,0,0,0,1,0|3,0,0]=4 80 B18R3.2098 C(c1ccccc1)[n+]2c[s]c3ccccc23 Amb22343306 [0,0,0,0,1,0|3,0,0]=4 81 B18R3.2098 c1[s]c2ccccc2c1Nc3ccccc3 Amb24104688 [0,0,0,0,1,0|3,0,0]=4 82 B18R3.2098 c1c[n](Nc2cc[n]cc2)c3ccccc31 Amb19515787 [0,0,0,0,1,0|3,0,0]=4 83 B18R3.2098 c1c[n](Nc2cc[n]cc2)c3ccccc31 Amb22504120 [0,0,0,0,1,0|3,0,0]=4 84 B18R3.2098 c1ccc(cc1)CC2CNc3c2cccc3 Amb17240364 [0,0,0,0,1,0|1,0,2]=4 85 B18R3.2098 c1ccc(cc1)C[n+]2csc3c2cccc3 Amb16205276 [0,0,0,0,1,0|3,0,0]=4 86 B18R3.2098 c1ccc(cc1)C[n+]2csc3c2cccc3 Amb16205842 [0,0,0,0,1,0|3,0,0]=4 87 B18R3.2098 c1ccc(cc1)Cc2c[nH]c3c2cccc3 Amb1910719 [0,0,0,0,1,0|1,0,0]=2 88 B18R3.2098 c1ccc(cc1)Cc2c[nH]c3c2cccn3 Amb13885024 [0,0,0,0,1,0|2,0,0]=3 89 B18R3.2098 c1ccc(cc1)Cn2cnc3c2cccc3 Amb1219763 [0,0,0,0,1,0|2,0,1]=4 90 B18R3.2098 c1ccc(cn1)Cc2c[nH]c3c2cccc3 Amb10601198 [0,0,0,0,1,0|2,0,0]=3 91 B18R3.2098 n1ccc(cc1)Cn2nnc3c2cccc3 Amb10559871 [0,0,0,0,1,0|2,0,1]=4 92 B20R3.2720 C(CN1CCNc2ccccc12)c3ccccc3 Amb24797454 [0,0,0,0,0,1|2,0,1]=4 93 B20R3.2720 C(Cc1[n]ccc2ccccc12)c3cccc[n]3 Amb24079853 [0,0,0,0,0,1|3,0,0]=4 94 B20R3.2720 C(Cc1cc[n]c2ccccc12)c3ccccc3 Amb24066193 [0,0,0,0,0,1|1,0,1]=3 95 B20R3.2720 C(Nc1c[n][n]c2ccccc12)c3ccccc3 Amb23470301 [0,0,0,0,0,1|2,0,1]=4 96 B20R3.2720 C(Oc1cccc2ccccc21)c3cc[n]cc3 Amb23916995 [0,0,0,0,0,1|2,0,0]=3 97 B20R3.2720 C(Sc1[n]ccc2ccccc21)c3ccccc3 Amb24121756 [0,0,0,0,0,1|3,0,0]=4 98 B20R3.2720 c1ccc(cc1)CCN2CCNc3c2cccc3 Amb17254366 [0,0,0,0,0,1|2,0,1]=4 99 B20R3.2720 c1ccc(cc1)CNc2nccc3c2cccc3 Amb16207313 [0,0,0,0,0,1|3,0,0]=4 100 B20R3.2720 c1ccc(cc1)CNc2nccc3c2cccc3 Amb16208060 [0,0,0,0,0,1|3,0,0]=4 101 B20R3.2720 c1ccc(cc1)CNc2ncnc3c2cccc3 Amb2554311 [0,0,0,0,0,1|2,0,1]=4 102 B20R3.2720 c1ccc(cc1)CSc2ncnc3c2cccc3 Amb1150421 [0,0,0,0,0,1|2,0,1]=4 103 B20R3.2720 c1ccc2ccccc2c1\C=C\c3cc[n]cc3 Amb22496673 [0,0,0,0,0,1|1,0,2]=4 104 B20R3.2720 n1ccc(cc1)CNc2ncnc3c2cccc3 Amb16888062 [0,0,0,0,0,1|1,0,1]=3 105 B20R3.2720 n1ccc(cc1)CNc2ncnc3c2cccn3 Amb16888831 [0,0,0,0,0,1|2,0,1]=4 106 B20R3.2720 n1ccc(cc1)CSc2nccc3c2cccc3 Amb10243175 [0,0,0,0,0,1|2,0,0]=3 107 B20R3.2720 n1ccc(cc1)\C=N\c2cccc3c2cccc3 Amb16766941 [0,0,0,0,0,1|2,0,1]=4 108 B20R3.2725 C(CCc1[n][nH]c2ccccc12)c3ccccc3 Amb24068355 [0,0,0,0,0,1|2,0,0]=3 109 B20R3.2725 C(CNc1[n]c[n]c[n]1)c2c[nH]c3ccccc23 Amb23393431 [0,0,0,0,0,1|2,0,0]=3 110 B20R3.2725 C(CNc1ccccc1)c2c[nH]c3ccccc23 Amb18899632 [0,0,0,0,0,1|1,0,0]=2 111 B20R3.2725 C(NCC1CNc2ccccc21)c3ccccc3 Amb24761160 [0,0,0,0,0,1|1,0,2]=4 112 B20R3.2725 C(NCc1c[n][n]2ccccc21)c3ccccc3 Amb25379500 [0,0,0,0,0,1|2,0,1]=4 113 B20R3.2725 C(NCc1c[n]ccc1)c2c[nH]c3ccccc23 Amb23912232 [0,0,0,0,0,1|2,0,0]=3 114 B20R3.2725 C(NCc1c[s]c2ccccc12)c3ccccc3 Amb25382290 [0,0,0,0,0,1|2,0,0]=3 115 B20R3.2725 C(OCc1c[nH]c2ccccc12)c3c[n]ccc3 Amb22447990 [0,0,0,0,0,1|2,0,0]=3 116 B20R3.2725 C(OCc1c[nH]c2ccccc12)c3ccccc3 Amb25385977 [0,0,0,0,0,1|1,0,0]=2 117 B20R3.2725 C(\C=C\c1ccccc1)c2c[nH]c3c[n]ccc32 Amb22755583 [0,0,0,0,0,1|2,0,1]=4 118 B20R3.2725 c1ccc(cc1)CCCn2ccc3c2cccc3 Amb17252385 [0,0,0,0,0,1|3,0,0]=4 119 B20R3.2725 c1ccc(cc1)CCCn2cnc3c2cccc3 Amb1096647 [0,0,0,0,0,1|2,0,1]=4 120 B20R3.2725 c1ccc(cc1)C\N=C\c2c[nH]c3c2cccc3 Amb1812966 [0,0,0,0,0,1|1,0,1]=3 121 B20R3.2725 c1ccc(cc1)N\N=C\c2c[nH]c3c2cccc3 Amb1157645 [0,0,0,0,0,1|2,0,1]=4 122 B20R3.2725 c1ccc(cc1)OCCn2ccc3c2cccc3 Amb17253683 [0,0,0,0,0,1|3,0,0]=4 123 B20R3.2725 c1ccc(cc1)OCCn2cnc3c2cccc3 Amb1054302 [0,0,0,0,0,1|2,0,1]=4 124 B20R3.2725 c1cnc(nc1)NCCc2c[nH]c3c2cccc3 Amb1158608 [0,0,0,0,0,1|3,0,0]=4 125 B20R3.2725 n1ccc(cc1)N\N=C\c2c[nH]c3c2cccc3 Amb10576982 [0,0,0,0,0,1|1,0,1]=3 126 B20R3.30190 C(Oc1ccc2ccccc2[n]1)c3ccccc3 Amb22481147 [0,0,0,0,0,1|3,0,0]=4 127 B20R3.30190 c1ccc(cc1)CCc2ccc3c(n2)cccc3 Amb16225646 [0,0,0,0,0,1|2,0,0]=3 128 B20R3.30190 c1ccc(cc1)CNc2cnc3c(n2)cccc3 Amb11278433 [0,0,0,0,0,1|2,0,1]=4 129 B20R3.30190 n1ccc(cc1)CNC2=Nc3c(CS2)cccc3 Amb2417462 [0,0,0,0,0,1|3,0,0]=4 130 B17R2.3956 Nc1ccccc1NCCc2ccccc2 Amb12720 [1,0,1,0,0,0|2,0,0]=4 131 B17R2.3956 Nc1ccccc1OCCc2ccccc2 Amb1112568 [1,0,1,0,0,0|2,0,0]=4 132 B17R2.2342 CN(c1ccccc1)CCc2ccncc2 Amb10616548 [1,0,1,0,0,0|1,0,1]=4 133 B17R2.2342 NC(c1ccccc1)CCc2ccccc2 Amb10609173 [1,0,1,0,0,0|1,0,1]=4 134 B17R2.2342 N[C@@H](CCc1ccccc1)c2ccccc2 Amb19889812 [1,0,1,0,0,0|1,0,1]=4 135 B17R2.2342 O=C(c1ccccc1)CCc2ccccc2 Amb2228399 [1,0,1,0,0,0|2,0,0]=4 136 B17R2.2342 OC(c1ccccc1)CCc2ccncc2 Amb10573982 [1,0,1,0,0,0|1,0,1]=4 137 B19R2.8899 O=C(\C=C\CCc1ccccc1)c2ccccc2 Amb22173711 [0,1,1,0,0,0|2,0,0]=4 138 B19R2.8900 N=C(Nc1ccccc1)NCCc2ccccc2 Amb11206704 [0,1,1,0,0,0|2,0,0]=4 139 B19R2.8900 O=C(Nc1ccccc1)NCCc2ccccc2 Amb16205323 [0,1,1,0,0,0|2,0,0]=4 140 B19R2.8900 O=C(Nc1ccccc1)NCCc2ccccc2 Amb2549805 [0,1,1,0,0,0|2,0,0]=4 141 B19R2.4401 Nc1c(Cl)cccc1C(=O)NCc2cc[n]cc2 Amb18938217 [0,1,1,0,0,0|2,0,0]=4 142 B19R2.4531 CN(CCc1cc[n]cc1)c2ccc(Br)cc2N Amb23920281 [0,1,1,0,0,0|1,0,1]=4 143 B19R2.4531 CN(CCc1cc[n]cc1)c2ccc(Cl)cc2N Amb18589775 [0,1,1,0,0,0|1,0,1]=4 144 B19R2.4531 CN(CCc1cc[n]cc1)c2ccc(I)cc2N Amb24015753 [0,1,1,0,0,0|1,0,1]=4 145 B19R2.4531 Cc1ccc(c(N)c1)C(=O)NCc2cc[n]cc2 Amb24045673 [0,1,1,0,0,0|2,0,0]=4 146 B19R2.4531 Cc1ccc(c(N)c1)N(C)CCc2cc[n]cc2 Amb23920280 [0,1,1,0,0,0|1,0,1]=4 147 B19R2.4553 Cc1ccc(N)c(c1)N(C)CCc2cc[n]cc2 Amb24043645 [0,1,1,0,0,0|1,0,1]=4 148 B19R2.5647 OC(c1ccccc1)CC(=C)c2ccccc2Cl Amb10567250 [0,1,1,0,0,0|2,0,0]=4 149 B19R2.50154 Nc1ccccc1C(=O)CCc2ccccc2Cl Amb22753566 [0,1,1,0,0,0|2,0,0]=4 150 B19R3.288 Cc1[n]c2ccccc2[n]1Cc3cc[n]cc3 Amb23917222 [0,1,0,0,1,0|1,0,1]=4 151 B19R3.288 O=C/1Nc2c(\C1=C/c3ccncc3)cccc2 Amb151009 [0,1,0,0,1,0|0,0,1]=3 152 B19R3.288 O=C/1Nc2c(\C1=C\c3ccccc3)cccc2 Amb1817868 [0,1,0,0,1,0|1,0,1]=4 153 B19R3.288 O=C/1Nc2c(\C1=N\c3ccccc3)cccc2 Amb1774503 [0,1,0,0,1,0|2,0,0]=4 154 B19R3.288 O=C/1Nc2ccccc2\C1=N/c3ccccc3 Amb20527651 [0,1,0,0,1,0|2,0,0]=4 155 B19R3.288 O=C1Nc2ccccc2C1Cc3cc[n]cc3 Amb22442004 [0,1,0,0,1,0|0,0,1]=3 156 B19R3.288 O=C1Nc2ccccc2N1Cc3cc[n]cc3 Amb18538707 [0,1,0,0,1,0|1,0,0]=3 157 B19R3.288 O=C1Nc2ccccc2N1Cc3ccccc3 Amb18537191 [0,1,0,0,1,0|2,0,0]=4 158 B19R3.288 O=c1[nH]c2c(n1Cc3ccccc3)cccc2 Amb1061689 [0,1,0,0,1,0|2,0,0]=4 159 B19R3.288 S=C1Nc2ccccc2N1Cc3ccccc3 Amb19205278 [0,1,0,0,1,0|2,0,0]=4 160 B19R3.307 Nc1ccccc1Sc2c[nH]c3c2cccc3 Amb1156092 [0,1,0,0,1,0|2,0,0]=4 161 B19R3.434 Clc1ccc(cn1)Cc2c[nH]c3c2cccc3 Amb10601200 [0,1,0,0,1,0|2,0,0]=4 162 B19R3.434 Fc1ccc(Cc2c[nH]c3ccccc32)cc1 Amb22482947 [0,1,0,0,1,0|1,0,0]=3 163 B19R3.434 Nc1ccc(cc1)Cc2c[nH]c3c2cccc3 Amb10558702 [0,1,0,0,1,0|1,0,0]=3 164 B19R3.2487 CC(c1c[s]c2ccccc21)c3ccccc3 Amb22750554 [0,1,0,0,1,0|2,0,0]=4 165 B19R3.2487 O=C(c1c[nH]c2c1cccc2)c3ccccc3 Amb1779775 [0,1,0,0,1,0|1,0,1]=4 166 B19R3.2487 OC(c1c[nH]c2c1cccc2)c3ccccn3 Amb2460067 [0,1,0,0,1,0|2,0,0]=4 167 B19R3.2487 OC(c1c[nH]c2c[n]ccc12)c3ccccc3 Amb24087073 [0,1,0,0,1,0|2,0,0]=4 168 B19R3.5866 Brc1ccc2[nH]cc(Cc3ccccc3)c2c1 Amb17836118 [0,1,0,0,1,0|1,0,0]=3 169 B19R3.5866 Clc1cc2c(cc1)[nH]cc2Sc3ccccc3 Amb24089384 [0,1,0,0,1,0|2,0,0]=4 170 B19R3.5866 Fc1cc2c(Cc3ccccc3)c[nH]c2cc1 Amb22476949 [0,1,0,0,1,0|1,0,0]=3 171 B19R3.202197 OC(CC1Cc2ccccc21)c3cc[n]cc3 Amb24023674 [0,1,0,0,1,0|0,0,2]=4 172 B19R3.3759 Cc1noc(n1)CCc2c[nH]c3c2cccc3 Amb11108847 [0,1,0,0,1,0|2,0,0]=4 173 B19R3.3759 Nc1[n][nH]c(CCc2c[nH]c3ccccc23)[n]1 Amb22577736 [0,1,0,0,1,0|2,0,0]=4 174 B19R3.3759 Nc1n[nH]c(n1)CCc2c[nH]c3c2cccc3 Amb13777467 [0,1,0,0,1,0|2,0,0]=4 175 B19R3.3759 Nc1n[nH]c(n1)CCc2c[nH]c3c2cccc3 Amb19135937 [0,1,0,0,1,0|2,0,0]=4 176 B19R3.5407 S=C1NC=CN1CCc2c[nH]c3ccccc23 Amb18542424 [0,1,0,0,1,0|1,0,1]=4 177 B19R3.8943 O=C1Nc2ccccc2N1CCc3ccc[s]3 Amb18036125 [0,1,0,0,1,0|2,0,0]=4 178 B19R3.152087 Cc1cccc2c1[nH]cc2CCn3cnnc3 Amb17631990 [0,1,0,0,1,0|2,0,0]=4 179 B21R3.8413 Nc1cc2cc[n]c(NCc3cc[n]cc3)c2cc1 Amb19098112 [0,1,0,0,0,1|2,0,0]=4 180 B21R3.19514 Cc1cc2ccccc2c(NCc3cc[n]cc3)[n]1 Amb24295274 [0,1,0,0,0,1|2,0,0]=4 181 B21R3.19514 Clc1cc2ccccc2c(NCc3cc[n]cc3)[n]1 Amb19097790 [0,1,0,0,0,1|2,0,0]=4 182 B21R3.19514 O=C1C=C(CNc2ccccc2)c3ccccc3N1 Amb20187987 [0,1,0,0,0,1|2,0,0]=4 183 B21R3.19514 O=C1C=C(NCc2cc[n]cc2)c3ccccc3O1 Amb19787789 [0,1,0,0,0,1|2,0,0]=4 184 B21R3.19514 O=C1C=C(NCc2ccccc2)c3ccccc3N1 Amb22484629 [0,1,0,0,0,1|2,0,0]=4 185 B21R3.19514 O=C1C=C(OCc2ccccc2)c3ccccc3N1 Amb22651667 [0,1,0,0,0,1|2,0,0]=4 186 B21R3.19514 O=C1Nc2ccccc2C(CCc3ccccc3)=N1 Amb22752738 [0,1,0,0,0,1|1,0,0]=3 187 B21R3.19514 O=C1Nc2ccccc2C(NCc3ccccc3)=N1 Amb20460797 [0,1,0,0,0,1|2,0,0]=4 188 B21R3.19514 S=C1Nc2ccccc2C(NCc3ccccc3)=N1 Amb20450824 [0,1,0,0,0,1|2,0,0]=4 189 B21R3.21578 Cc1cc(cc[n]1)NCc2cccc3ccccc32 Amb23845036 [0,1,0,0,0,1|2,0,0]=4 190 B21R3.24493 CN(c1ncnc2c1cccc2)Cc3ccncc3 Amb13995693 [0,1,0,0,0,1|1,0,1]=4 191 B21R3.155183 Brc1ccc2c(c1)c(ncn2)NCc3ccncc3 Amb16887785 [0,1,0,0,0,1|1,0,1]=4 192 B21R3.155183 Cc1cc2c(cc1)[n]ccc2NCc3cc[n]cc3 Amb24299972 [0,1,0,0,0,1|1,0,1]=4 193 B21R3.155183 Clc1ccc2c(c1)c(ccn2)NCc3ccncc3 Amb16889705 [0,1,0,0,0,1|1,0,1]=4 194 B21R3.155183 Fc1ccc2c(c1)c(ncn2)NCc3ccncc3 Amb16887835 [0,1,0,0,0,1|1,0,1]=4 195 B21R3.393077 Brc1cccc2c1ncnc2NCc3ccncc3 Amb16887744 [0,1,0,0,0,1|1,0,1]=4 196 B21R3.393077 Cc1cccc2c1[n]ccc2NCc3cc[n]cc3 Amb24287610 [0,1,0,0,0,1|1,0,1]=4 197 B21R3.393077 Fc1cccc2c1ncnc2NCc3ccncc3 Amb16887961 [0,1,0,0,0,1|1,0,1]=4 198 B21R3.433959 Cc1c[n]c(NCc2cc[n]cc2)c3ccccc31 Amb18456665 [0,1,0,0,0,1|2,0,0]=4 199 B21R3.521193 CC(Nc1cc[n]c2ccccc21)c3cc[n]cc3 Amb24272809 [0,1,0,0,0,1|1,0,1]=4 200 B21R3.623 C[C@@H](NCc1c[nH]c2ccccc21)c3ccccc3 Amb24310861 [0,1,0,0,0,1|1,0,0]=3 201 B21R3.623 C[C@@H](c1ccccc1)NCc2c[nH]c3c2cccc3 Amb1987827 [0,1,0,0,0,1|1,0,0]=3 202 B21R3.623 O=C(c1ccccc1)NCc2c[nH]c3c2cccc3 Amb16867058 [0,1,0,0,0,1|1,0,1]=4 203 B21R3.623 O=C(c1ccncc1)NCc2c[nH]c3c2cccc3 Amb16867104 [0,1,0,0,0,1|0,0,1]=3 204 B21R3.872 Brc1c[n]c(cc1)NCCc2c[nH]c3ccccc23 Amb23665975 [0,1,0,0,0,1|2,0,0]=4 205 B21R3.872 Nc1ccc(cc1)NCCc2c[nH]c3ccccc23 Amb18583569 [0,1,0,0,0,1|1,0,0]=3 206 B21R3.872 Nc1ccc(cn1)NCCc2c[nH]c3c2cccc3 Amb17041268 [0,1,0,0,0,1|2,0,0]=4 207 B21R3.872 Nc1ccc(nc1)NCCc2c[nH]c3c2cccc3 Amb17041102 [0,1,0,0,0,1|2,0,0]=4 208 B21R3.2808 O=C(c1c[nH]c2c1cccc2)NCc3ccccc3 Amb2432919 [0,1,0,0,0,1|1,0,1]=4 209 B21R3.2808 O=C(c1c[nH]c2c1cccn2)NCc3ccncc3 Amb16280380 [0,1,0,0,0,1|1,0,1]=4 210 B21R3.8298 C[n+]1ccccc1NCCc2c[nH]c3c2cccc3 Amb2308551 [0,1,0,0,0,1|2,0,0]=4 211 B21R3.8298 Nc1ccccc1NCCc2c[nH]c3ccccc23 Amb18583568 [0,1,0,0,0,1|1,0,0]=3 212 B21R3.8418 Fc1ccc2c(c1)[nH]cc2CCNc3ccccn3 Amb13560550 [0,1,0,0,0,1|2,0,0]=4 213 B21R3.19837 Cc1[nH]c2c(c1CNCc3ccccn3)cccc2 Amb15694863 [0,1,0,0,0,1|2,0,0]=4 214 B21R3.19837 N=C1Nc2ccccc2N1CCCc3ccccc3 Amb22388936 [0,1,0,0,0,1|2,0,0]=4 215 B21R3.19837 O=C1Nc2ccccc2N1CCCc3ccccc3 Amb18538973 [0,1,0,0,0,1|2,0,0]=4 216 B21R3.19837 O=C1Nc2ccccc2N1CCOc3ccccc3 Amb18537192 [0,1,0,0,0,1|2,0,0]=4 217 B21R3.19837 O=c1[nH]c2c(n1CCOc3ccccc3)cccc2 Amb1057893 [0,1,0,0,0,1|2,0,0]=4 218 B21R3.21587 Cc1cc(NCCc2c[s]c3ccccc23)[n]c[n]1 Amb23640145 [0,1,0,0,0,1|2,0,0]=4 219 B21R3.21587 Cc1cccc(NCCc2c[nH]c3ccccc23)[n]1 Amb23652007 [0,1,0,0,0,1|2,0,0]=4 220 B21R3.21587 Fc1cccc(n1)NCCc2c[nH]c3c2cccc3 Amb2426213 [0,1,0,0,0,1|2,0,0]=4 221 B21R3.21587 Nc1ccnc(c1)NCCc2c[nH]c3c2cccc3 Amb17353896 [0,1,0,0,0,1|2,0,0]=4 222 B21R3.24497 CN(Cc1c[nH]c2c1cccc2)Cc3ccccc3 Amb1784436 [0,1,0,0,0,1|1,0,0]=3 223 B21R3.24497 O=C(Nc1c[nH]c2c1cccc2)Cc3ccccc3 Amb19146942 [0,1,0,0,0,1|1,0,1]=4 224 B21R3.4959521 C[n]1cc(CNCc2ccccc2)c3ccccc13 Amb21969126 [0,1,0,0,0,1|1,0,0]=3 225 B21R3.505 O=C1Nc2ccccc2C=C1CNc3ccccc3 Amb19814343 [0,1,0,0,0,1|2,0,0]=4 226 B21R3.505 O=C1Nc2ccccc2N=C1NCc3ccccc3 Amb19654372 [0,1,0,0,0,1|2,0,0]=4 227 B21R3.24492 OC(c1ccccc1)Cc2ccc3c(n2)cccc3 Amb16200314 [0,1,0,0,0,1|2,0,0]=4 228 B21R3.30927 Nc1ccc(CCc2ccc3ccccc3[n]2)cc1 Amb24090078 [0,1,0,0,0,1|2,0,0]=4 229 B21R3.153330 Brc1cc2ccc(cc2cc1)OCc3cc[n]cc3 Amb23917021 [0,1,0,0,0,1|2,0,0]=4 230 B21R3.444247 O=c1cc(CCc2ccccc2)oc3ccccc31 Amb24089700 [0,1,0,0,0,1|2,0,0]=4 231 B21R3.469780 Clc1nccc(c1)CSc2ccc3c(n2)cccc3 Amb11198973 [0,1,0,0,0,1|2,0,0]=4 232 B21R3.683 N#CC(c1c[nH]c2c1cccc2)Cc3ccccc3 Amb17596810 [0,2,0,0,0,0|1,0,0]=3 233 B21R3.683 NCC(c1c[nH]c2c1cccc2)Cc3ccccc3 Amb17062799 [0,2,0,0,0,0|1,0,0]=3 234 B21R3.683 NCC(c1c[nH]c2c1cccc2)Cc3ccccn3 Amb17062796 [0,2,0,0,0,0|2,0,0]=4 235 B21R3.683 NCC(c1c[nH]c2c1cccc2)Cc3cccnc3 Amb17062797 [0,2,0,0,0,0|2,0,0]=4 236 B21R3.683 NCC(c1c[nH]c2c1cccc2)Cc3ccncc3 Amb17062798 [0,2,0,0,0,0|0,0,0]=2 237 B21R3.21581 O=C(Cc1cc(Cl)ccc1)c2c[nH]c3ccccc23 Amb23950561 [0,2,0,0,0,0|1,0,1]=4 238 B21R3.4959510 O=C(c1cn(c2c1cccc2)C)Nc3ccncc3 Amb13779706 [0,2,0,0,0,0|1,0,1]=4 239 B21R3.838 NC(Cc1c[nH]c2ccccc21)c3ccc(Cl)cc3 Amb24113765 [0,2,0,0,0,0|1,0,0]=3 240 B21R3.661650 O=C1Nc2ccccc2N1CCc3ccc(Cl)cc3 Amb18539161 [0,2,0,0,0,0|2,0,0]=4 241 B21R3.661650 O=C1Nc2ccccc2N1CCc3ccc(F)cc3 Amb18539012 [0,2,0,0,0,0|2,0,0]=4 242 B21R3.1163 N#CC(c1ccccc1)Cc2c[nH]c3c2cccc3 Amb17258502 [0,2,0,0,0,0|1,0,0]=3 243 B21R3.1163 NCC(c1ccccc1)Cc2c[nH]c3c2cccc3 Amb17063611 [0,2,0,0,0,0|1,0,0]=3 244 B21R3.8187 [O-][S+](=O)(Cc1c[nH]c2ccccc12)c3ccccc3 Amb17914789 [0,2,0,0,0,0|2,0,0]=4 245 B21R3.442558 O=C1Nc2ccccc2N1CCc3ccccc3F Amb18539011 [0,2,0,0,0,0|2,0,0]=4 246 B21R3.476618 Cc1ccc(c(c1)NCc2c[nH]c3c2cccc3)C Amb1897871 [0,2,0,0,0,0|2,0,0]=4 247 B21R3.2307191 CN1C(=O)N(CCc2ccccc2)c3ccccc13 Amb19545142 [0,2,0,0,0,0|2,0,0]=4 248 B21R3.7442827 O=C1Nc2ccccc2N1CCc3cccc(Cl)c3 Amb18539162 [0,2,0,0,0,0|2,0,0]=4 249 B21R3.39025 COc1cc(ccc1)NCc2c[nH]c3ccccc32 Amb24117253 [0,2,0,0,0,0|2,0,0]=4 250 B19R3.25 C1C=NN(C1c2ccccc2)c3ccccc3 Amb17733827 [0,0,1,1,0,0|2,0,0]=4 251 B19R3.28 c1ccc(cc1)CC2=CCCc3c2cccc3 Amb10559872 [0,0,1,1,0,0|2,0,0]=4 252 B19R3.27 c1ccc(cc1)C2NN=C(C2)c3ccccc3 Amb2264581 [0,0,1,1,0,0|2,0,0]=4 253 B19R3.9171 O=C1CC(Nc2ccccc21)c3cc[n]cc3 Amb23455106 [0,0,1,1,0,0|1,0,0]=3 254 B19R3.9171 O=C1NC(Nc2c1cccc2)c3ccncc3 Amb1231606 [0,0,1,1,0,0|2,0,0]=4 255 B19R3.19245 C(Sc1cccc2cc[nH]c21)c3ccccc3 Amb24098198 [0,0,1,1,0,0|2,0,0]=4 256 B19R3.19245 c1ccc(cc1)COc2cccc3c2[nH]cc3 Amb2455794 [0,0,1,1,0,0|2,0,0]=4 257 B19R4.2073 C1c2c([nH]c3ccccc32)-c4ccccc41 Amb22364917 [0,0,0,1,1,0|1,0,0]=3 258 B19R4.2073 c1cccc2c3[nH]c4ccccc4c3[nH]c21 Amb22372270 [0,0,0,1,1,0|2,0,0]=4 259 B19R4.2073 c1cccc2c3oc4ccccc4c3[nH]c21 Amb24056701 [0,0,0,1,1,0|2,0,0]=4 260 B19R4.1390701 o1nc2c(n1)c3[nH]c4c(c3CC2)cccc4 Amb2227231 [0,0,0,1,1,0|2,0,0]=4 261 B21R4.3385 C1CC=2c3ccccc3CCC2c4ccccc41 Amb22713384 [0,0,0,1,0,1|2,0,0]=4 262 B21R4.68983 c1ccc2c(c1)CCc3c2nc4ccccc4c3 Amb2411517 [0,0,0,1,0,1|1,0,1]=4 263 B21R4.3358470 Clc1ccc2c(c1)c3[nH]c4c(c3CS2)cccc4 Amb16448843 [0,1,0,1,0,0|2,0,0]=4 264 B17R2.2382 C(CCCc1ccccc1)c2cc[n]cc2 Amb24097587 [0,0,1,0,1,0|0,0,2]=4 265 B17R2.2382 C(N\C=C\c1ccccc1)c2ccccc2 Amb25350265 [0,0,1,0,1,0|2,0,0]=4 266 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 Amb1032140 [0,0,1,0,1,0|1,0,1]=4 267 B17R2.2382 c1ccc(cc1)SC\C=C\c2ccccc2 Amb2433200 [0,0,1,0,1,0|2,0,0]=4 268 B17R2.162 NN=C(Cc1ccccc1)c2ccccc2 Amb22443589 [0,0,1,0,1,0|2,0,0]=4 269 B17R2.162 O=C\C(=C\c1ccncc1)\c2ccccc2 Amb17339289 [0,0,1,0,1,0|1,0,1]=4 270 B17R2.3417 Cc1ccccc1C(=O)Cc2cc[n]cc2 Amb24064051 [0,0,1,0,1,0|2,0,0]=4 271 B17R2.3417 Nc1ccccc1C(O)Cc2cc[n]cc2 Amb24063935 [0,0,1,0,1,0|1,0,1]=4 272 B17R2.3417 O=C(Cc1cc[n]cc1)c2ccccc2Cl Amb22753966 [0,0,1,0,1,0|2,0,0]=4 273 B17R2.3417 O=C(c1ccccc1N)Nc2ccncc2 Amb1115047 [0,0,1,0,1,0|2,0,0]=4 274 B17R3.8 C1C=C(c2ccccc12)c3ccccc3 Amb17778883 [0,0,0,0,2,0|2,0,0]=4 275 B17R3.8 c1[nH]c2[n]cccc2c1-c3ccccc3 Amb20247121 [0,0,0,0,2,0|2,0,0]=4 276 B17R3.8 c1[nH]c2ccccc2c1-c3cccc[n]3 Amb24069318 [0,0,0,0,2,0|2,0,0]=4 277 B17R3.8 c1[n]ccc2[nH]cc(c21)-c3ccccc3 Amb22750532 [0,0,0,0,2,0|2,0,0]=4 278 B17R3.8 c1[n]ccc2c(c[nH]c21)-c3ccccc3 Amb22753673 [0,0,0,0,2,0|2,0,0]=4 279 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccc3 Amb10554720 [0,0,0,0,2,0|1,0,0]=3 280 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 Amb10067083 [0,0,0,0,2,0|2,0,0]=4 281 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 Amb10571529 [0,0,0,0,2,0|2,0,0]=4 282 B19R2.4485 O=C(Nc1ccccc1N)CCc2ccccc2 Amb1140148 [0,0,1,0,0,1|2,0,0]=4 283 B19R2.5666 O=C(c1ccccc1Br)NCCc2ccncc2 Amb1086062 [0,0,1,0,0,1|2,0,0]=4 284 B19R2.5666 O=C(c1ccccc1F)NCCc2ccncc2 Amb1066479 [0,0,1,0,0,1|2,0,0]=4 285 B19R2.5666 O=C(c1ccccc1N)OCCc2ccccc2 Amb17307696 [0,0,1,0,0,1|2,0,0]=4 286 B21R3.3124 C(CNc1[n]c[n]c2ccccc21)c3ccccc3 Amb24072005 [0,0,0,0,0,2|1,0,1]=4 287 B21R3.3124 C(CNc1ccccc1)c2cccc3ccccc23 Amb20076432 [0,0,0,0,0,2|2,0,0]=4 288 B21R3.3124 c1ccc(cc1)CCNc2ncnc3c2cccc3 Amb1250633 [0,0,0,0,0,2|1,0,1]=4 289 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 Amb1850855 [0,0,0,0,0,2|2,0,0]=4 290 B21R3.3130 C(CN=Cc1ccccc1)c2c[nH]c3ccccc23 Amb22477594 [0,0,0,0,0,2|1,0,0]=3 291 B21R3.3130 C(NCCc1c[nH]c2ccccc12)c3cc[n]cc3 Amb22386842 [0,0,0,0,0,2|0,0,0]=2 292 B21R3.3130 C(NCCc1c[nH]c2ccccc12)c3ccc[n]c3 Amb22587878 [0,0,0,0,0,2|2,0,0]=4 293 B21R3.3130 C(NCCc1c[nH]c2ccccc12)c3ccccc3 Amb22463644 [0,0,0,0,0,2|1,0,0]=3 294 B21R3.3130 C(NCCc1ccccc1)c2c[nH]c3ccccc23 Amb21955472 [0,0,0,0,0,2|1,0,0]=3 295 B21R3.3130 c1ccc(cn1)CNCCc2c[nH]c3c2cccc3 Amb1570327 [0,0,0,0,0,2|2,0,0]=4 296 B21R3.3130 c1ccc(cn1)C[NH2+]CCc2c[nH]c3c2cccc3 Amb2450604 [0,0,0,0,0,2|2,0,0]=4 297 B21R3.3130 n1ccc(cc1)CNCCc2c[nH]c3c2cccc3 Amb1087527 [0,0,0,0,0,2|0,0,0]=2 298 B21R3.47750 C(CCc1cc2ccccc2cc1)c3ccccc3 Amb24060843 [0,0,0,0,0,2|2,0,0]=4 299 B21R3.47750 C(NCc1cc2ccccc2cc1)c3cc[n]cc3 Amb21954084 [0,0,0,0,0,2|1,0,0]=3 300 B21R3.47750 c1ccc(cc1)CCSc2ccc3c(n2)cccc3 Amb10577471 [0,0,0,0,0,2|2,0,0]=4 301 B21R3.47750 n1ccc(cc1)CCSc2ccc3c(c2)cccc3 Amb10555513 [0,0,0,0,0,2|1,0,0]=3