0 B17R2.1933 CC1=C(c2ccncc2)C=C(C#N)C(=O)N1 Amb18131261 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.1933 Cc1nc(=O)c(C#N)nn1-c2ccccc2 Amb1988574 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.1933 Cc1nc(Cl)c(C#N)cc1-c2ccccc2 Amb2424705 [0,0,0,0,0,0|2,0,1]=3 3 B17R2.1933 Cc1nc(Cl)c(C#N)cc1-c2ccncc2 Amb16230978 [0,0,0,0,0,0|1,0,1]=2 4 B17R2.1933 Cc1nc(O)c(C#N)cc1-c2ccccc2 Amb22370839 [0,0,0,0,0,0|1,0,2]=3 5 B17R2.1933 N#CC1=CN(c2ccccc2)C(=O)NC1=O Amb18131538 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.1933 N#Cc1cc(-c2ccccc2)c(Cl)nc1Cl Amb2609889 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.1933 N#Cc1cc(-c2ccccc2)c(N)nc1O Amb2610146 [0,0,0,0,0,0|2,0,2]=4 8 B17R2.1933 N#Cc1cc(-c2ccccc2)c(O)nc1O Amb2609757 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.27 Cc1ccc(C#N)cc1-c2ccccc2 Amb17336679 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.27 N#Cc1cc(-c2ccncc2)c(Cl)nn1 Amb31180444 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.27 N#Cc1ccc(F)c(-c2ccccc2)c1 Amb17337168 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.2321 N#CC1=CC(c2ccccc2)=CNC1=O Amb18540761 [1,0,0,0,0,0|1,0,0]=2 13 B16R2.2321 N#CC1=CC(c2ccncc2)=CNC1=O Amb18652572 [1,0,0,0,0,0|0,0,0]=1 14 B16R2.2321 N#Cc1cc(-c2ccccc2)ccc1N Amb18651930 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.2321 N#Cc1cc(-c2ccccc2)cnc1Cl Amb2428094 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.2321 N#Cc1cc(-c2ccccc2)cnc1O Amb1331794 [1,0,0,0,0,0|1,0,2]=4 17 B16R2.2321 N#Cc1cc(-c2ccncc2)nnc1Cl Amb31180447 [1,0,0,0,0,0|2,0,1]=4 18 B18R2.1627 N#CC1=CN(c2ccc(Cl)cc2)C(=O)NC1=O Amb18666040 [0,1,0,0,0,0|3,0,0]=4 19 B18R2.6531 CC1=C(c2ccccc2)C=C(C(=O)O)C(=O)N1 Amb20622568 [0,1,0,0,0,0|2,0,1]=4 20 B18R2.6531 CC1=C(c2ccncc2)C=C(C(N)=O)C(=O)N1 Amb19892368 [0,1,0,0,0,0|0,0,2]=3 21 B18R2.28032 CC1=C(C#N)C(O)=C(c2ccccc2)C(=O)N1 Amb19668038 [0,1,0,0,0,0|3,0,0]=4 22 B18R2.119552 N#CC1=CN(c2ccccc2Cl)C(=O)NC1=O Amb18666045 [0,1,0,0,0,0|3,0,0]=4 23 B16R2.10936 Cc1oc(N)c(C#N)c1-c2ccccc2 Amb18864152 [0,0,0,0,1,0|3,0,0]=4 24 B16R2.10936 Cc1sc(N)c(C#N)c1-c2ccccc2 Amb6335186 [0,0,0,0,1,0|3,0,0]=4 25 B18R2.1623 N#CC1=CN(Cc2ccccc2)C(=O)NC1=O Amb18659654 [0,0,0,0,0,1|3,0,0]=4 26 B18R2.1623 N#CC1=CN(Cc2ccncc2)C(=O)NC1=O Amb21929081 [0,0,0,0,0,1|2,0,0]=3 27 B15R2.17 N#Cc1cccc(-c2ccccc2)c1 Amb2686569 [2,0,0,0,0,0|2,0,0]=4 28 B15R2.17 N#Cc1cccc(-c2ccncc2)c1 Amb9779126 [2,0,0,0,0,0|1,0,0]=3 29 B15R2.17 N#Cc1cccc(-c2ccncc2)n1 Amb28254574 [2,0,0,0,0,0|2,0,0]=4 30 B15R2.17 N#Cc1ccnc(-c2ccncc2)c1 Amb23598769 [2,0,0,0,0,0|2,0,0]=4 31 B15R2.17 N#Cc1cncc(-c2ccccc2)c1 Amb17335418 [2,0,0,0,0,0|1,0,1]=4 32 B15R2.17 N#Cc1cncc(-c2ccncc2)c1 Amb18128884 [2,0,0,0,0,0|0,0,1]=3 33 B15R2.33 Cc1ccc(C)c(-c2ccncc2)c1 Amb27169767 [2,0,0,0,0,0|1,0,1]=4 34 B15R2.33 Cc1ccc(Cl)cc1-c2ccncc2 Amb26469210 [2,0,0,0,0,0|2,0,0]=4 35 B15R2.33 Cc1ccc(F)cc1-c2ccncc2 Amb25335381 [2,0,0,0,0,0|2,0,0]=4 36 B15R2.33 Cc1ccc(N)cc1-c2ccncc2 Amb24378733 [2,0,0,0,0,0|1,0,1]=4 37 B15R2.33 Cc1ccc(O)cc1-c2ccncc2 Amb27421750 [2,0,0,0,0,0|2,0,0]=4 38 B15R2.94 CC1=CC(c2ccccc2)=CNC1=O Amb27454275 [2,0,0,0,0,0|1,0,1]=4 39 B15R2.94 NC1=CC(c2ccccc2)=CNC1=O Amb18538522 [2,0,0,0,0,0|1,0,1]=4 40 B15R2.94 NC1=CC(c2ccncc2)=CNC1=O Amb18649580 [2,0,0,0,0,0|0,0,1]=3 41 B15R2.94 O=C1NC=C(c2ccccc2)C=C1F Amb25935149 [2,0,0,0,0,0|2,0,0]=4 42 B15R2.94 O=C1NC=C(c2ccccc2)C=C1O Amb27629139 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.389 CC1=C(c2ccncc2)C=CC(=O)N1 Amb27647450 [2,0,0,0,0,0|0,0,0]=2 44 B15R2.389 Cc1cc(Cl)ccc1-c2ccncc2 Amb27462153 [2,0,0,0,0,0|2,0,0]=4 45 B15R2.389 Cc1cc(F)ccc1-c2ccncc2 Amb27268013 [2,0,0,0,0,0|2,0,0]=4 46 B15R2.389 Cc1cc(I)ccc1-c2ccncc2 Amb27612216 [2,0,0,0,0,0|2,0,0]=4 47 B15R2.389 Cc1cc(N)ccc1-c2ccncc2 Amb18944466 [2,0,0,0,0,0|2,0,0]=4 48 B15R2.389 Cc1cc(O)ccc1-c2ccncc2 Amb27950383 [2,0,0,0,0,0|1,0,1]=4 49 B15R2.389 Cc1ccc(-c2ccncc2)c(C)c1 Amb26476258 [2,0,0,0,0,0|2,0,0]=4 50 B15R2.389 Cc1nc(Cl)ccc1-c2ccncc2 Amb25785011 [2,0,0,0,0,0|1,0,1]=4 51 B15R2.389 Cc1nc(F)ccc1-c2ccncc2 Amb25830522 [2,0,0,0,0,0|1,0,1]=4 52 B15R2.389 Cc1nc(N)ccc1-c2ccncc2 Amb18129540 [2,0,0,0,0,0|1,0,1]=4 53 B15R2.389 O=C1NC=C(c2ccncc2)C(=O)N1 Amb23598760 [2,0,0,0,0,0|2,0,0]=4 54 B17R2.2800 Cc1ccc(-c2cc(C#N)ccc2C)cc1 Amb17338869 [1,1,0,0,0,0|2,0,0]=4 55 B17R2.2800 Cc1ccc(C#N)cc1-c2ccc(Cl)cc2 Amb17343988 [1,1,0,0,0,0|2,0,0]=4 56 B17R2.2800 Cc1ccc(C#N)cc1-c2ccc(F)cc2 Amb17339652 [1,1,0,0,0,0|2,0,0]=4 57 B17R2.2806 Cc1ccc(C#N)cc1-c2ccccc2Cl Amb17343986 [1,1,0,0,0,0|2,0,0]=4 58 B17R2.2806 Cc1ccc(C#N)cc1-c2ccccc2F Amb17339650 [1,1,0,0,0,0|2,0,0]=4 59 B17R2.2806 Cc1ccccc1-c2cc(C#N)ccc2C Amb17338867 [1,1,0,0,0,0|2,0,0]=4 60 B17R2.2817 Cc1ccc(C#N)cc1-c2cccc(Cl)c2 Amb17343987 [1,1,0,0,0,0|2,0,0]=4 61 B17R2.2817 Cc1ccc(C#N)cc1-c2cccc(F)c2 Amb17339651 [1,1,0,0,0,0|2,0,0]=4 62 B17R2.2817 Cc1cccc(-c2cc(C#N)ccc2C)c1 Amb17338868 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.1938 Cc1cc(-c2ccncc2)c(C)cc1C=O Amb32723295 [1,1,0,0,0,0|1,0,1]=4 64 B17R2.18 Cc1ccc(C2=CNC(=O)C(C#N)=C2)cc1 Amb18038546 [1,1,0,0,0,0|1,0,0]=3 65 B17R2.18 N#CC1=CC(c2ccc(Br)cc2)=CNC1=O Amb18039108 [1,1,0,0,0,0|1,0,0]=3 66 B17R2.18 N#CC1=CC(c2ccc(Cl)cc2)=CNC1=O Amb18038664 [1,1,0,0,0,0|1,0,0]=3 67 B17R2.18 N#CC1=CC(c2ccc(F)cc2)=CNC1=O Amb18540875 [1,1,0,0,0,0|1,0,0]=3 68 B17R2.107 N#CC1=CC(c2ccccc2)=CN(N)C1=O Amb19095787 [1,1,0,0,0,0|1,0,0]=3 69 B17R2.206 O=C(O)C1=CC(c2ccncc2)=CNC1=O Amb18657926 [1,1,0,0,0,0|1,0,1]=4 70 B17R2.2491 Cc1cccc(C2=CNC(=O)C(C#N)=C2)c1 Amb18038545 [1,1,0,0,0,0|1,0,0]=3 71 B17R2.2491 N#CC1=CC(c2cccc(Br)c2)=CNC1=O Amb18039107 [1,1,0,0,0,0|1,0,0]=3 72 B17R2.2491 N#CC1=CC(c2cccc(Cl)c2)=CNC1=O Amb18038663 [1,1,0,0,0,0|1,0,0]=3 73 B17R2.10468 Cc1ccccc1C2=CNC(=O)C(C#N)=C2 Amb18038544 [1,1,0,0,0,0|1,0,0]=3 74 B17R2.10468 N#CC1=CC(c2ccccc2Cl)=CNC1=O Amb18038662 [1,1,0,0,0,0|1,0,0]=3 75 B17R2.10468 N#CC1=CC(c2ccccc2F)=CNC1=O Amb18038565 [1,1,0,0,0,0|1,0,0]=3 76 B19R2.42965 CC1=C(Cc2ccccc2)C(C)=C(C#N)C(=S)N1 Amb19651987 [0,1,0,0,0,1|1,1,0]=4 77 B15R1.640 CCOC(=O)\C(C#N)=C\c1ccncc1 Amb3205411 [0,0,1,0,1,0|1,0,1]=4 78 B15R2.1682 Cc1nc(C#N)sc1-c2ccncc2 Amb18653646 [1,0,0,0,1,0|1,0,1]=4 79 B15R2.2322 Cc1ccc(C#N)cc1-c2cccs2 Amb17337434 [1,0,0,0,1,0|2,0,0]=4 80 B15R2.2248 N#Cc1cc(-c2ccncc2)oc1N Amb27401257 [1,0,0,0,1,0|2,0,0]=4 81 B15R2.2349 N#CC1=C(c2ccccc2)CNC1=O Amb27268410 [1,0,0,0,1,0|1,0,1]=4 82 B15R2.2349 N#Cc1c(-c2ccncc2)coc1N Amb25801840 [1,0,0,0,1,0|2,0,0]=4 83 B15R2.2349 N#Cc1c(-c2ccncc2)csc1N Amb1127473 [1,0,0,0,1,0|2,0,0]=4 84 B17R2.1948 CN1C(=O)C(C#N)=CC=C1c2ccccc2 Amb18539572 [0,0,0,0,1,1|2,0,0]=4 85 B17R2.1948 CN1C(=O)C(C#N)=CN=C1c2ccccc2 Amb31118020 [0,0,0,0,1,1|2,0,0]=4 86 B17R2.1948 CN1C(=O)C(C#N)=CN=C1c2ccncc2 Amb31135188 [0,0,0,0,1,1|1,0,0]=3 87 B17R2.1948 N#CC1=CC=C(c2ccncc2)N(N)C1=O Amb19095789 [0,0,0,0,1,1|2,0,0]=4 88 B17R2.3135 CC1=CNC(=O)C(C#N)=C1c2ccccc2 Amb18038543 [0,0,0,0,1,1|1,0,0]=3 89 B17R2.3135 CC1=CNC(=O)C(C#N)=C1c2ccccn2 Amb18038555 [0,0,0,0,1,1|2,0,0]=4 90 B17R2.3135 CC1=CNC(=O)C(C#N)=C1c2cccnc2 Amb18038557 [0,0,0,0,1,1|2,0,0]=4 91 B17R2.3135 CC1=CNC(=O)C(C#N)=C1c2ccncc2 Amb18038559 [0,0,0,0,1,1|0,0,0]=2 92 B17R2.3135 Cc1cnc(Cl)c(C#N)c1-c2ccncc2 Amb17344409 [0,0,0,0,1,1|1,0,1]=4 93 B17R2.17866 CC1=CC(c2ccccc2)=C(C#N)C(=O)N1 Amb17992970 [0,0,0,0,1,1|1,0,0]=3 94 B17R2.17866 CC1=NC(c2ccncc2)=C(CN)C(=O)N1 Amb31099436 [0,0,0,0,1,1|0,0,2]=4 95 B17R2.17866 Cc1cc(-c2ccncc2)c(C#N)c(N)n1 Amb17339507 [0,0,0,0,1,1|1,0,1]=4 96 B17R2.17866 Cc1cc(-c2ccncc2)c(C#N)c(O)n1 Amb18225107 [0,0,0,0,1,1|0,0,2]=4 97 B17R2.17866 N#CC1=C(c2ccccc2)N=C(N)NC1=O Amb18131402 [0,0,0,0,1,1|2,0,0]=4 98 B17R2.17866 N#CC1=C(c2ccccc2)N=C(S)NC1=O Amb18001613 [0,0,0,0,1,1|2,0,0]=4 99 B17R2.17866 N#CC1=C(c2ccccc2)NC(=O)NC1=O Amb18372478 [0,0,0,0,1,1|2,0,0]=4 100 B17R2.17866 N#CC1=C(c2ccccc2)NC(=S)NC1=O Amb17979554 [0,0,0,0,1,1|2,0,0]=4 101 B17R2.17866 N#CC1=C(c2ccncc2)NC(=S)NC1=O Amb19668423 [0,0,0,0,1,1|1,0,0]=3