0 B18R2.14825 CC(C)(C(=O)c1cccnc1)c2cccnc2 Amb3940935 [0,0,0,0,0,0|0,0,0]=0 1 B18R2.14825 CC(O)(C(=O)c1ccccc1)c2ccccc2 Amb2610170 [0,0,0,0,0,0|3,0,0]=3 2 B18R2.14825 O=C(c1ccccc1)C(F)(F)c2cccnc2 Amb24076485 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.10205 CC(C(=O)c1ccccc1)c2ccccc2 Amb4036456 [1,0,0,0,0,0|2,0,0]=3 4 B17R2.10205 CC(C(=O)c1ccccc1)c2ccncc2 Amb17595689 [1,0,0,0,0,0|3,0,0]=4 5 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 Amb6347163 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.10205 NC(C(=O)c1ccccc1)c2ccccc2 Amb17939052 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.10205 NC(C(=O)c1ccccc1)c2ccccc2 Amb19373676 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.10205 O=C(c1ccccc1)C(Br)c2ccccc2 Amb2792465 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.10205 O=C(c1ccccc1)C(Cl)c2ccccc2 Amb1676617 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.10205 O=C(c1ccccc1)C(O)c2ccccc2 Amb9703088 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.10205 OC(c1cccnc1)C(O)c2cccnc2 Amb21858595 [1,0,0,0,0,0|1,0,2]=4 12 B17R2.20249 CC(O)(Cc1ccccc1)c2cccnc2 Amb32662755 [1,0,0,0,0,0|2,0,1]=4 13 B19R2.12359 CC(C)(C(=O)c1ccc(Cl)cc1)c2ccccc2 Amb8850467 [0,1,0,0,0,0|2,0,0]=3 14 B19R2.12359 CC(C)(C(=O)c1ccc(N)cc1)c2ccccc2 Amb17596632 [0,1,0,0,0,0|2,0,0]=3 15 B19R3.6065 CC1(c2ccccc2)Cc3ccccc3C1=O Amb8390051 [0,0,0,1,0,0|2,0,0]=3 16 B19R3.59927 CC1(C)C(c2ccccc2)=Nc3ccccc31 Amb21948310 [0,0,0,1,0,0|3,0,0]=4 17 B19R3.59927 CC1(C)C(c2ccccc2)=Nc3ccccc31 Amb6469760 [0,0,0,1,0,0|3,0,0]=4 18 B19R2.8901 C=C(CC(C)(C)c1ccccc1)c2ccccc2 Amb22351821 [0,0,0,0,0,1|3,0,0]=4 19 B19R2.8901 CC(C)(SC(=S)c1ccccc1)c2ccccc2 Amb24055348 [0,0,0,0,0,1|2,1,0]=4 20 B16R2.88 CC(Nc1ccccc1)c2cccnc2 Amb9739106 [2,0,0,0,0,0|2,0,0]=4 21 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 Amb1205838 [2,0,0,0,0,0|2,0,0]=4 22 B16R2.88 O=C(Cc1ccccc1)c2cccnc2 Amb5720532 [2,0,0,0,0,0|1,0,0]=3 23 B16R2.88 O=C(Cc1ccccn1)c2cccnc2 Amb4017162 [2,0,0,0,0,0|2,0,0]=4 24 B16R2.88 O=C(Cc1cccnc1)c2ccccn2 Amb28322331 [2,0,0,0,0,0|2,0,0]=4 25 B16R2.88 O=C(Cc1cccnc1)c2cnccn2 Amb27948372 [2,0,0,0,0,0|1,0,0]=3 26 B16R2.88 O=C(Cc1ccncc1)c2cccnc2 Amb19083421 [2,0,0,0,0,0|2,0,0]=4 27 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 Amb2691341 [2,0,0,0,0,0|2,0,0]=4 28 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 Amb1195992 [2,0,0,0,0,0|2,0,0]=4 29 B16R2.88 O=C(Nc1cccnc1)c2ccccc2 Amb3368143 [2,0,0,0,0,0|2,0,0]=4 30 B16R2.88 O=C(Nc1cccnc1)c2cnccn2 Amb9885837 [2,0,0,0,0,0|2,0,0]=4 31 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 Amb4017594 [2,0,0,0,0,0|2,0,0]=4 32 B16R2.88 O=C(Oc1cccnc1)c2ccccc2 Amb2609761 [2,0,0,0,0,0|2,0,0]=4 33 B18R2.250 CN(C(=O)c1ccc(Cl)nc1)c2ccccc2 Amb6246334 [1,1,0,0,0,0|2,0,0]=4 34 B18R2.2315 CCC(C(=O)c1ccccc1)c2ccccc2 Amb4025720 [1,1,0,0,0,0|2,0,0]=4 35 B18R2.2315 COC(C(=O)c1ccccc1)c2ccccc2 Amb4605980 [1,1,0,0,0,0|2,0,0]=4 36 B18R2.3988 CN(C(=O)c1cccnc1Cl)c2ccccc2 Amb6247165 [1,1,0,0,0,0|2,0,0]=4 37 B18R2.6461 CN(C(=O)c1cncc(N)c1)c2ccccc2 Amb31097994 [1,1,0,0,0,0|2,0,0]=4 38 B18R2.126847 CC(CN)(Cc1cccnc1)c2ccccc2 Amb5748026 [1,1,0,0,0,0|1,0,1]=4 39 B18R2.126847 CC(CO)(Cc1cccnc1)c2ccccc2 Amb5748113 [1,1,0,0,0,0|1,0,1]=4 40 B20R2.15718 CC(C)(C(=O)Nc1ccccc1)c2ccc(N)cc2 Amb18938427 [0,1,0,0,0,1|2,0,0]=4 41 B20R2.15718 CC(C)(C(=O)Nc1cccnc1)c2ccc(N)cc2 Amb18938415 [0,1,0,0,0,1|1,0,0]=3 42 B20R2.2291469 CC(C)(C(=O)c1ccccc1)C(=O)c2ccccc2 Amb2389773 [0,1,0,0,0,1|2,0,0]=4 43 B20R2.184799 COOC(C)(C(=O)c1ccccc1)c2ccccc2 Amb21953287 [0,2,0,0,0,0|2,0,0]=4 44 B20R2.193540 COC(OC)(C(=O)c1ccccc1)c2ccccc2 Amb6356451 [0,2,0,0,0,0|2,0,0]=4 45 B18R3.111 O=C1c2cccnc2CN1c3ccccc3 Amb22008618 [1,0,0,1,0,0|2,0,0]=4 46 B18R3.422788 O=C1C(=O)c2cccnc2-c3ncccc31 Amb1058779 [1,0,0,1,0,0|1,0,1]=4 47 B18R3.240269 O=C(n1ccnc1)C2(c3ccccc3)CC2 Amb22436467 [0,0,0,1,1,0|2,0,0]=4 48 B16R2.6780 CC(C(=O)c1cccs1)c2ccccc2 Amb28060054 [1,0,0,0,1,0|2,0,0]=4 49 B16R2.6780 CC(C(=O)c1ccsn1)c2ccccc2 Amb27190434 [1,0,0,0,1,0|2,0,0]=4 50 B16R2.6780 CC(C(=O)c1cncs1)c2ccccc2 Amb29878063 [1,0,0,0,1,0|2,0,0]=4 51 B16R2.6780 CC(C(=O)c1cnsc1)c2ccccc2 Amb29868447 [1,0,0,0,1,0|2,0,0]=4 52 B16R2.2945 CC(C)(c1ccccc1)c2ccccc2 Amb6357389 [1,0,0,0,1,0|2,0,0]=4 53 B18R2.3634 CC(CC(=O)c1ccccc1)c2ccccc2 Amb2637812 [1,0,0,0,0,1|2,0,0]=4 54 B18R2.3634 CC(NC(=O)c1cccnc1)c2ccccc2 Amb3371351 [1,0,0,0,0,1|1,0,0]=3 55 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 Amb17779318 [1,0,0,0,0,1|2,0,0]=4 56 B18R2.3634 O=C(CC(=O)c1cccnc1)c2cccnc2 Amb2760206 [1,0,0,0,0,1|1,0,1]=4 57 B18R2.3634 O=C(OC(=O)c1cccnc1)c2cccnc2 Amb16233302 [1,0,0,0,0,1|1,0,1]=4 58 B18R2.3634 O=C(\C=C(/O)c1cccnc1)c2cccnc2 Amb32429115 [1,0,0,0,0,1|1,0,1]=4 59 B18R2.7204 O=C(Nc1cccnc1)C(Cl)c2ccccc2 Amb8825190 [1,0,0,0,0,1|2,0,0]=4 60 B18R2.14826 CC(C)(Oc1ccccc1)C(=O)n2ccnc2 Amb17344532 [0,0,0,0,1,1|2,0,0]=4