0 B18R2.40386 CC(=O)c1c(C)n(c(c1N)c2ccccc2)C Amb17063011 [0,0,0,0,0,0|3,0,1]=4 1 B18R2.40386 CN(C)C=1C(=O)N(c2ccccc2)N(C)C1C Amb19131952 [0,0,0,0,0,0|1,0,0]=1 2 B18R2.40386 CN1C(C)=C(C(=O)N1c2ccccc2)C(C)=O Amb21994591 [0,0,0,0,0,0|1,0,1]=2 3 B18R2.40386 CN1C(C)=C(C(=O)N1c2ccccc2)N([13CH3])[13CH3] Amb22351923 [0,0,0,0,0,0|1,0,0]=1 4 B18R2.40386 CN1C(C)=C(C(=O)N1c2ccccc2)[N+]([O-])=O Amb19655117 [0,0,0,0,0,0|3,0,0]=3 5 B18R2.40386 CN1C(C)=C(C(C)C)C(=O)N1c2ccccc2 Amb19813472 [0,0,0,0,0,0|0,0,0]=0 6 B18R2.40386 CN1C(C)=C(C(O)=O)C(=O)N1c2ccccc2 Amb18048757 [0,0,0,0,0,0|2,0,1]=3 7 B17R2.19417 CC(=C1C(=NN(C1=O)c2ccccc2)C)C Amb2228113 [1,0,0,0,0,0|0,0,2]=3 8 B17R2.19417 CC(C)=C1C(=O)N(CC1=O)c2ccccc2 Amb23533810 [1,0,0,0,0,0|2,0,1]=4 9 B17R2.19417 CC(C)=C1C(=O)NN(C1=O)c2ccccc2 Amb17846011 [1,0,0,0,0,0|1,0,1]=3 10 B17R2.19417 CC(C)N1C(=O)CN(c2ccccc2)C1=O Amb21998687 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.19417 CC(Cl)c1c(C)[n]([n]c1C)-c2ccccc2 Amb24122345 [1,0,0,0,0,0|2,0,1]=4 12 B17R2.19417 CC(O)c1c(C)[n]([n]c1C)-c2ccccc2 Amb24122329 [1,0,0,0,0,0|2,0,1]=4 13 B17R2.19417 CC(c1c(C)nn(c1C)c2ccccc2)N Amb10610678 [1,0,0,0,0,0|2,0,1]=4 14 B17R2.19417 CC=1NN(c2ccccc2)C(=O)C1[N+]([O-])=O Amb19535780 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.19417 C\C(=C\1/C(=NN(C1=O)c2ccccc2)C)\O Amb1806694 [1,0,0,0,0,0|1,0,2]=4 16 B17R2.135589 CN1C(Br)=C(CO)C(=O)N1c2ccccc2 Amb22171609 [1,0,0,0,0,0|2,0,0]=3 17 B17R2.135589 CN1C(C)=C(C=O)C(=O)N1c2ccccc2 Amb19262444 [1,0,0,0,0,0|1,0,1]=3 18 B17R2.135589 CN1C(C)=C(CC)C(=O)N1c2ccccc2 Amb22453461 [1,0,0,0,0,0|0,0,0]=1 19 B17R2.135589 CN1C(C)=C(N=O)C(=O)N1c2ccccc2 Amb20001486 [1,0,0,0,0,0|2,0,0]=3 20 B17R2.135589 CN1C(C)=C(NC)C(=O)N1c2ccccc2 Amb18967613 [1,0,0,0,0,0|1,0,0]=2 21 B17R2.135589 CN1C(C)=C(NC)C(=O)N1c2ccccc2 Amb21959589 [1,0,0,0,0,0|1,0,0]=2 22 B19R2.216546 CN1C(C)=C(C(=O)N1c2ccccc2)C(C)(C)C Amb22453466 [0,1,0,0,0,0|0,0,0]=1 23 B19R2.6984463 CN1C(C)=C(C(=O)CC)C(=O)N1c2ccccc2 Amb22453467 [0,1,0,0,0,0|1,0,1]=3 24 B19R2.6984463 CN1C(C)=C(C(=O)CCl)C(=O)N1c2ccccc2 Amb21618682 [0,1,0,0,0,0|1,0,1]=3 25 B19R2.6984463 CN1C(C)=C(C(=O)OC)C(=O)N1c2ccccc2 Amb22471504 [0,1,0,0,0,0|1,0,1]=3 26 B19R2.6984463 CN1C(C)=C(C(C)CC)C(=O)N1c2ccccc2 Amb22453784 [0,1,0,0,0,0|0,0,0]=1 27 B19R2.6984463 CN1C(C)=N(C(=O)N1c2ccccc2)C(=S)NC Amb19770223 [0,1,0,0,0,0|2,0,1]=4 28 B19R2.6984463 CNC(=S)[N]1=C(C)N(C)N(C1=O)c2ccccc2 Amb17912573 [0,1,0,0,0,0|2,0,1]=4 29 B19R3.2419906 CN1C=2CCC(=O)C2C(=O)N1c3ccccc3 Amb22451787 [0,0,0,1,0,0|1,0,1]=3 30 B19R2.17331 CC(C)C1NC(=O)C(C)N(c2ccccc2)C1=O Amb23994804 [0,0,0,0,0,1|2,0,1]=4 31 B19R2.603573 CN1C(C)=C(CC(O)=O)C(=O)N1c2ccccc2 Amb22445656 [0,0,0,0,0,1|2,0,1]=4 32 B19R2.603573 CN1C(C)=C(NC(C)=O)C(=O)N1c2ccccc2 Amb19130217 [0,0,0,0,0,1|1,0,1]=3 33 B19R2.603573 CN1C(C)=C(NC(C)C)C(=O)N1c2ccccc2 Amb19133784 [0,0,0,0,0,1|0,0,0]=1 34 B19R2.603573 CN1C(C)=C(NC(C)C)C(=O)N1c2ccccc2 Amb20243286 [0,0,0,0,0,1|0,0,0]=1 35 B19R2.603573 CN1C(C)=C(NC(C)C)C(=O)N1c2ccccc2 Amb20247319 [0,0,0,0,0,1|0,0,0]=1 36 B19R2.603573 CN1C(C)=C(NC(N)=N)C(=O)N1c2ccccc2 Amb22454723 [0,0,0,0,0,1|2,0,1]=4 37 B19R2.603573 CN1C(C)=C(NC(N)=O)C(=O)N1c2ccccc2 Amb19654049 [0,0,0,0,0,1|2,0,1]=4 38 B19R2.603573 CN1C(C)=C(NC(N)=S)C(=O)N1c2ccccc2 Amb19654137 [0,0,0,0,0,1|2,0,1]=4 39 B19R2.603573 CN1C(C)=C(OC(C)C)C(=O)N1c2ccccc2 Amb22480154 [0,0,0,0,0,1|0,0,0]=1 40 B19R2.603573 OC(=O)Cc1c(C)n(n(c1=O)c2ccccc2)C Amb16226052 [0,0,0,0,0,1|2,0,1]=4 41 B16R1.58978 CC(NC(=O)C(c1ccccc1)N(C)C)C Amb16947854 [1,0,1,0,0,0|2,0,0]=4 42 B16R1.12455 CC(N(C(=O)Nc1ccccc1)C(C)C)C Amb1201404 [1,0,1,0,0,0|1,0,1]=4 43 B16R2.10928 CC=1NN(C(=O)C1CN)c2ccccc2 Amb23201609 [2,0,0,0,0,0|1,0,0]=3 44 B16R2.10928 CC=1NN(c2ccccc2)C(=O)C1C=O Amb19803074 [2,0,0,0,0,0|1,0,1]=4 45 B16R2.10928 CCc1c(C)nn(c1O)c2ccccc2 Amb10783621 [2,0,0,0,0,0|0,0,2]=4 46 B16R2.97836 Brc1c(C)n(n(c1=O)c2ccccc2)C Amb2384333 [2,0,0,0,0,0|1,0,0]=3 47 B16R2.97836 CN1C(=O)N(c2ccccc2)N(C)C1=O Amb22452594 [2,0,0,0,0,0|2,0,0]=4 48 B16R2.97836 CN1C(C)=C(Br)C(=O)N1c2ccccc2 Amb21683241 [2,0,0,0,0,0|1,0,0]=3 49 B16R2.97836 CN1C(C)=C(C)C(=O)N1c2ccccc2 Amb22453440 [2,0,0,0,0,0|0,0,0]=2 50 B16R2.97836 CN1C(C)=C(Cl)C(=O)N1c2ccccc2 Amb22493074 [2,0,0,0,0,0|1,0,0]=3 51 B16R2.97836 CN1C(C)=C(Cl)C(=S)N1c2ccccc2 Amb22468757 [2,0,0,0,0,0|1,1,0]=4 52 B16R2.97836 CN1C(C)=C(I)C(=O)N1c2ccccc2 Amb19895316 [2,0,0,0,0,0|1,0,0]=3 53 B16R2.97836 CN1C(C)=C(N)C(=O)N1c2ccccc2 Amb18035807 [2,0,0,0,0,0|1,0,0]=3 54 B16R2.97836 CN1C(C)=C(N)C(=O)N1c2ccccc2 Amb21864825 [2,0,0,0,0,0|1,0,0]=3 55 B16R2.97836 CN1C(C)=C(O)C(=O)N1c2ccccc2 Amb22347810 [2,0,0,0,0,0|1,0,0]=3 56 B16R2.97836 Cc1n(C)n(c(=O)c1C)c2ccccc2 Amb10554263 [2,0,0,0,0,0|0,0,0]=2 57 B16R2.97836 Nc1c(C)n(n(c1=O)c2ccccc2)C Amb11032439 [2,0,0,0,0,0|1,0,0]=3 58 B16R2.97836 O=c1n(C)c(=O)n(n1c2ccccc2)C Amb10553958 [2,0,0,0,0,0|2,0,0]=4 59 B18R2.29884 Cc1ccc(cc1)N2NC(=O)C(=C(C)C)C2=O Amb10781975 [1,1,0,0,0,0|1,0,1]=4 60 B18R2.30892 CC1=NN(C(=O)C1C(C)(C)C)c2ccccc2 Amb22453469 [1,1,0,0,0,0|0,0,2]=4 61 B18R2.31100 Brc1cccc(c1)N2NC(=O)C(=C(C)C)C2=O Amb10782277 [1,1,0,0,0,0|1,0,1]=4 62 B18R2.47068 CN1C(C)=C(CCC)C(=O)N1c2ccccc2 Amb22453464 [1,1,0,0,0,0|0,0,0]=2 63 B18R2.47068 CN1C(C)=C(N=C=S)C(=O)N1c2ccccc2 Amb19203281 [1,1,0,0,0,0|1,0,1]=4 64 B18R2.47068 CN1C(C)=C(NC#N)C(=O)N1c2ccccc2 Amb20413757 [1,1,0,0,0,0|1,0,1]=4 65 B18R2.47068 CN1C(C)=C(NC=O)C(=O)N1c2ccccc2 Amb19132389 [1,1,0,0,0,0|1,0,1]=4 66 B18R2.47068 CN1C(C)=C(\C=N\O)C(=O)N1c2ccccc2 Amb19666990 [1,1,0,0,0,0|1,0,1]=4 67 B18R2.47068 N#CNc1c(C)n(n(c1=O)c2ccccc2)C Amb2162558 [1,1,0,0,0,0|1,0,1]=4 68 B18R2.47068 O\N=C/c1c(C)n(n(c1=O)c2ccccc2)C Amb10069642 [1,1,0,0,0,0|1,0,1]=4 69 B20R2.1318734 CN1C(C)=C(NC(=O)CC)C(=O)N1c2ccccc2 Amb18372948 [0,1,0,0,0,1|1,0,1]=4 70 B20R2.1318734 CN1C(C)=C(NC(=O)CCl)C(=O)N1c2ccccc2 Amb19650582 [0,1,0,0,0,1|1,0,1]=4 71 B20R2.1318734 CN1C(C)=C(NC(=O)CO)C(=O)N1c2ccccc2 Amb18015221 [0,1,0,0,0,1|1,0,1]=4 72 B20R2.1318734 CN1C(C)=C(NC(=O)NC)C(=O)N1c2ccccc2 Amb22036779 [0,1,0,0,0,1|1,0,1]=4 73 B20R2.1318734 CN1C(C)=C(NC(=O)OC)C(=O)N1c2ccccc2 Amb19130387 [0,1,0,0,0,1|1,0,1]=4 74 B20R2.1318734 CN1C(C)=C(NC(=S)NC)C(=O)N1c2ccccc2 Amb19385961 [0,1,0,0,0,1|1,0,1]=4 75 B20R2.2904568 CC(=O)N(C)C=1C(=O)N(c2ccccc2)N(C)C1C Amb19202657 [0,1,0,0,0,1|1,0,1]=4 76 B20R2.2904569 CN1C(C)=C(C[N+](C)(C)C)C(=O)N1c2ccccc2 Amb22346381 [0,1,0,0,0,1|1,0,0]=3 77 B20R2.2904569 CN1C(C)=C(NS(C)(=O)=O)C(=O)N1c2ccccc2 Amb19191189 [0,1,0,0,0,1|2,0,0]=4 78 B20R2.2904569 [2H]C([2H])([2H])NC=1C(=O)N(c2ccccc2)N(C)C1C Amb19133073 [0,1,0,0,0,1|2,0,0]=4 79 B20R2.12248089 CN1C(C)=C(C(=O)CC#N)C(=O)N1c2ccccc2 Amb22452117 [0,2,0,0,0,0|1,0,1]=4 80 B18R2.30834 CC(Cc1c(C)nn(c1O)c2ccccc2)C Amb1572978 [1,0,0,0,0,1|0,0,2]=4 81 B18R2.30834 CC/1=NN(C(=C)\C1=C/C(C)C)c2ccccc2 Amb20663685 [1,0,0,0,0,1|1,0,1]=4 82 B18R2.30834 CC1=NN(C(=O)C1CC(C)C)c2ccccc2 Amb22471505 [1,0,0,0,0,1|0,0,2]=4 83 B18R2.30834 CN(C)C=C1C(=O)N(N=C1C)c2ccccc2 Amb24102966 [1,0,0,0,0,1|1,0,1]=4 84 B18R2.30834 CN(C)\C=C\1/C(=O)N(N=C1C)c2ccccc2 Amb19113961 [1,0,0,0,0,1|1,0,1]=4 85 B18R2.30834 CN(\C=C/1\C(=NN(C1=O)c2ccccc2)C)C Amb1349266 [1,0,0,0,0,1|1,0,1]=4 86 B20R2.2213230 CN(C)\C=N\C=1C(=O)N(c2ccccc2)N(C)C1C Amb18010312 [0,0,0,0,0,2|1,0,0]=3 87 B20R2.2213230 CN(\C=N\c1c(C)n(n(c1=O)c2ccccc2)C)C Amb1252057 [0,0,0,0,0,2|1,0,0]=3