0 B20R2.79822 CNCC[C@@H](Oc1ccccc1C)c2ccccc2 Amb6298232 [0,0,0,0,0,0|0,0,0]=0 1 B20R2.79822 CNCC[C@H](Oc1ccccc1C)c2ccccc2 Amb17608544 [0,0,0,0,0,0|0,0,0]=0 2 B20R2.79822 CNCC[C@H](Oc1ccccc1C)c2ccccc2 Amb2383481 [0,0,0,0,0,0|0,0,0]=0 3 B21R2.39322 CNCCC(Oc1ccccc1OC)c2ccccc2 Amb23594538 [0,1,0,0,0,0|0,0,0]=1 4 B21R3.238 Cc1ccccc1C2CNCCN2c3ccccc3 Amb17413841 [0,0,0,1,0,0|2,0,0]=3 5 B21R3.238 Clc1ccccc1C2CNCCN2c3ccccc3 Amb17420365 [0,0,0,1,0,0|3,0,0]=4 6 B21R3.238 Fc1ccccc1C2CNCCN2c3ccccc3 Amb17414758 [0,0,0,1,0,0|3,0,0]=4 7 B21R3.442232 Clc1ccccc1NC2(c3ccccc3)CCCC2 Amb18932492 [0,0,0,1,0,0|3,0,0]=4 8 B21R3.442232 Fc1ccccc1NC2(c3ccccc3)CCCC2 Amb18932496 [0,0,0,1,0,0|3,0,0]=4 9 B18R2.358 NCCN(Cc1ccccc1)c2ccccc2 Amb5782023 [2,0,0,0,0,0|2,0,0]=4 10 B18R2.358 OCCC(Sc1ccccc1)c2ccccc2 Amb23560227 [2,0,0,0,0,0|1,1,0]=4 11 B18R2.7830 Cc1ccccc1CC(CN)c2ccccc2 Amb5733601 [2,0,0,0,0,0|1,0,0]=3 12 B18R2.7830 Cc1ccccc1CC(CN)c2ccccn2 Amb17247436 [2,0,0,0,0,0|2,0,0]=4 13 B18R2.7830 Cc1ccccc1CC(CO)c2ccccc2 Amb5748455 [2,0,0,0,0,0|2,0,0]=4 14 B18R2.7830 Cc1ccccc1NC(CN)c2ccccc2 Amb17406872 [2,0,0,0,0,0|1,0,0]=3 15 B18R2.7830 Cc1ccccc1NC(CN)c2ccccn2 Amb17406983 [2,0,0,0,0,0|2,0,0]=4 16 B18R2.7830 Cc1ccccc1NC(CN)c2cccnc2 Amb17406986 [2,0,0,0,0,0|2,0,0]=4 17 B18R2.7830 Cc1ccccc1NC(CN)c2ccncc2 Amb17406989 [2,0,0,0,0,0|2,0,0]=4 18 B18R2.7830 Cc1ccccc1OC(CN)c2ccccc2 Amb17077704 [2,0,0,0,0,0|0,0,0]=2 19 B18R2.7830 NCC(Cc1ccccc1Cl)c2ccccc2 Amb5733608 [2,0,0,0,0,0|2,0,0]=4 20 B18R2.7830 NCC(Cc1ccccc1F)c2ccccc2 Amb1063491 [2,0,0,0,0,0|2,0,0]=4 21 B18R2.7830 NCC(Cc1ccccc1F)c2ccccc2 Amb6854108 [2,0,0,0,0,0|2,0,0]=4 22 B18R2.7830 NCC(Cc1ccccc1N)c2ccccc2 Amb17476545 [2,0,0,0,0,0|2,0,0]=4 23 B18R2.7830 NCC(Nc1ccccc1Cl)c2ccccc2 Amb17411830 [2,0,0,0,0,0|2,0,0]=4 24 B18R2.7830 NCC(Nc1ccccc1F)c2ccccc2 Amb17407391 [2,0,0,0,0,0|2,0,0]=4 25 B18R2.7830 NCC(Oc1ccccc1Cl)c2ccccc2 Amb17077710 [2,0,0,0,0,0|1,0,0]=3 26 B18R2.7830 NCC(Oc1ccccc1F)c2ccccc2 Amb17077707 [2,0,0,0,0,0|1,0,0]=3 27 B20R2.1493 COc1ccccc1OC(CCN)c2ccccc2 Amb17162727 [1,1,0,0,0,0|0,0,0]=2 28 B20R2.1493 COc1ccccc1OC(CCN)c2ccccc2 Amb35746069 [1,1,0,0,0,0|0,0,0]=2 29 B20R2.192782 Cc1ccccc1C(=O)N(CCN)c2ccccc2 Amb17058122 [1,1,0,0,0,0|2,0,0]=4 30 B20R3.265 Cc1ccccc1CN2CCNc3ccccc32 Amb17254363 [1,0,0,1,0,0|2,0,0]=4 31 B20R3.750 NCC1Oc2ccccc2OC1c3ccccc3 Amb5759689 [1,0,0,1,0,0|1,0,0]=3 32 B20R3.42 c1ccc(C2CNCCN2c3ccccc3)cc1 Amb17409911 [1,0,0,1,0,0|2,0,0]=4 33 B20R3.30216 c1ccc(NC2(c3ccccc3)CCCC2)cc1 Amb18932503 [1,0,0,1,0,0|2,0,0]=4 34 B20R3.132996 Cc1ccccc1C2NCCCc3ccccc32 Amb31175849 [0,0,0,1,1,0|2,0,0]=4 35 B22R3.45326 Cc1ccc(N2CCNCC2c3ccccc3C)cc1 Amb17418339 [0,1,0,1,0,0|2,0,0]=4 36 B22R3.45326 Cc1ccccc1C2CNCCN2c3ccc(F)cc3 Amb17419551 [0,1,0,1,0,0|2,0,0]=4 37 B22R3.170 COc1ccccc1C2CNCCN2c3ccccc3 Amb17418911 [0,1,0,1,0,0|2,0,0]=4 38 B22R3.1248909 COc1ccccc1NC2(c3ccccc3)CCCC2 Amb18269722 [0,1,0,1,0,0|2,0,0]=4 39 B22R3.6591517 Cc1cccc(C)c1NC2(c3ccccc3)CCCC2 Amb18932494 [0,1,0,1,0,0|2,0,0]=4 40 B18R2.40 C#CCCC(c1ccccc1)c2ccccc2 Amb33082299 [1,0,0,0,1,0|1,0,1]=4 41 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 Amb6665885 [1,0,0,0,1,0|2,0,0]=4 42 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 Amb5739403 [1,0,0,0,1,0|0,0,0]=2 43 B18R2.40 N#CCCC(c1ccccc1)c2ccccc2 Amb2609144 [1,0,0,0,1,0|2,0,0]=4 44 B18R2.40 [C-]#[N+]CCC(c1ccccc1)c2ccccc2 Amb3973125 [1,0,0,0,1,0|0,0,2]=4