0 B18R2.43795 C=C(C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000748629_100000690303 [0,0,0,0,0,0|1,0,2]=3 1 B18R2.43795 C=C(F)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000042424_100000690303 [0,0,0,0,0,0|2,0,2]=4 2 B18R2.43795 CC(C)C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100016257149_100000690303 [0,0,0,0,0,0|0,0,2]=2 3 B18R2.43795 CC(C)C=Cc1ccc2c(c[nH]c2c1)CCO 271570a_100016257149_100010243507 [0,0,0,0,0,0|1,0,3]=4 4 B18R2.43795 CC(C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210624_100000690303 [0,0,0,0,0,0|1,0,2]=3 5 B18R2.43795 CC(O)C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_200011019289_100000690303 [0,0,0,0,0,0|1,0,2]=3 6 B18R2.43795 CC(O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100011218427_100000690303 [0,0,0,0,0,0|2,0,2]=4 7 B18R2.43795 C[C@@H](O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100009817552_100000690303 [0,0,0,0,0,0|2,0,2]=4 8 B18R2.43795 N#CCc1c[nH]c2c1ccc(c2)SCC(=O)N 62a_100000747473_100000690303 [0,0,0,0,0,0|3,0,1]=4 9 B18R2.43795 N#CCc1c[nH]c2c1ccc(c2)SCC(=O)[O-] 62a_100020667443_100000690303 [0,0,0,0,0,0|3,0,1]=4 10 B17R2.785 C=CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210623_100000690303 [1,0,0,0,0,0|1,0,2]=4 11 B17R2.785 CCCCc1ccc2c(c[nH]c2c1)CC#N 271570a_100020621405_100000690303 [1,0,0,0,0,0|0,0,2]=3 12 B17R2.785 CCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210303_100000690303 [1,0,0,0,0,0|1,0,2]=4 13 B17R2.785 COCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000766300_100000690303 [1,0,0,0,0,0|2,0,1]=4 14 B17R2.785 CSCSc1ccc2c(c[nH]c2c1)CC#N 62a_100011218213_100000690303 [1,0,0,0,0,0|2,0,1]=4 15 B17R2.785 N#CCc1c[nH]c2c1ccc(c2)SCC=O 62a_200015260668_100000690303 [1,0,0,0,0,0|2,0,1]=4 16 B17R2.72834 C=C(C)CSc1ccc2c(c[nH]c2c1)C#N 62a_100000748629_100012359395 [1,0,0,0,0,0|1,0,2]=4 17 B17R2.72834 CC(C)C=Cc1cc2[nH]cc(c2cn1)C#N 271570a_100016257149_100009867832 [1,0,0,0,0,0|1,0,2]=4 18 B17R2.72834 CC(C)C=Cc1ccc2c(c[nH]c2c1)C#N 271570a_100016257149_100012359395 [1,0,0,0,0,0|0,0,2]=3 19 B17R2.72834 CC(C)C=Cc1ccc2c(c[nH]c2n1)C#N 271570a_100016257149_100009864344 [1,0,0,0,0,0|1,0,2]=4 20 B17R2.72834 CC(C)C=Cc1ccc2c(n[nH]c2c1)C#N 271570a_100016257149_100010171363 [1,0,0,0,0,0|1,0,2]=4 21 B17R2.72834 CC(C)C=Cc1cnc2c(c[nH]c2c1)C#N 271570a_100016257149_100010143297 [1,0,0,0,0,0|1,0,2]=4 22 B17R2.72834 CC(C)CSc1ccc2c(c[nH]c2c1)C#N 62a_100000210624_100012359395 [1,0,0,0,0,0|1,0,2]=4 23 B17R2.72834 CC(O)C=Cc1ccc2c(c[nH]c2c1)C#N 271570a_200011019289_100012359395 [1,0,0,0,0,0|1,0,2]=4 24 B19R2.68123 CC(C)C[C@H](N)c1ccc2c(c[nH]c2c1)CC#N 271570a_100015190218_100000690303 [0,1,0,0,0,0|0,0,2]=3 25 B19R2.68124 CC(=O)C(C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100009814033_100000690303 [0,1,0,0,0,0|2,0,1]=4 26 B19R2.68126 CCC(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000747405_100000690303 [0,1,0,0,0,0|2,0,1]=4 27 B19R2.68126 CCC(C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000748023_100000690303 [0,1,0,0,0,0|1,0,2]=4 28 B19R2.68126 CC[C@H](C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100009816398_100000690303 [0,1,0,0,0,0|1,0,2]=4 29 B19R2.68126 CNC(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000183359_100000690303 [0,1,0,0,0,0|2,0,1]=4 30 B19R2.68126 COC(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000747449_100000690303 [0,1,0,0,0,0|2,0,1]=4 31 B19R2.68126 C[C@@H](CO)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000059175_100000690303 [0,1,0,0,0,0|1,0,2]=4 32 B19R2.664391 CC(C)(C)C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100102527731_100000690303 [0,1,0,0,0,0|0,0,2]=3 33 B19R2.664391 CC(C)(C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100011219605_100000690303 [0,1,0,0,0,0|1,0,2]=4 34 B19R2.664391 CC(C)(F)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100011997219_100000690303 [0,1,0,0,0,0|1,0,2]=4 35 B19R2.664391 CC(C)(O)C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_200016258132_100000690303 [0,1,0,0,0,0|0,0,2]=3 36 B19R2.664391 CC(C)(O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000764493_100000690303 [0,1,0,0,0,0|1,0,2]=4 37 B19R2.664391 C[N+](C)(C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_200000036245_100000690303 [0,1,0,0,0,0|2,0,1]=4 38 B19R2.664391 C[Si](C)(C)C#Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100010171944_100000690303 [0,1,0,0,0,0|0,1,2]=4 39 B19R2.664391 C[Si](C)(C)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000037933_100000690303 [0,1,0,0,0,0|1,1,1]=4 40 B19R3.103335 N#CCc1c[nH]c2c1ccc(c2)C#CC3CC3 271570a_200009880635_100000690303 [0,0,0,1,0,0|0,0,3]=4 41 B19R3.103335 N#CCc1c[nH]c2c1ccc(c2)C=CC3CC3 271570a_100102526188_100000690303 [0,0,0,1,0,0|0,0,2]=3 42 B19R3.103335 N#CCc1c[nH]c2c1ccc(c2)SCC3CC3 62a_100000756562_100000690303 [0,0,0,1,0,0|1,0,2]=4 43 B17R2.27437 CC(=Cc1ccc2c(c[nH]c2c1)CC#N)C 271570a_100102525489_100000690303 [0,0,0,0,1,0|0,0,0]=1 44 B17R2.27437 CC(=Cc1ccc2c(c[nH]c2c1)CCO)C 271570a_100102525489_100010243507 [0,0,0,0,1,0|1,0,1]=3 45 B17R2.27437 CC(C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100000210206_100000690303 [0,0,0,0,1,0|1,0,1]=3 46 B19R2.68125 C=C(C)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000730704_100000690303 [0,0,0,0,0,1|0,0,2]=3 47 B19R2.68125 CC(=CCSc1ccc2c(c[nH]c2c1)CC#N)C 62a_100000761012_100000690303 [0,0,0,0,0,1|0,0,0]=1 48 B19R2.68125 CC(=CCSc1ccc2c(c[nH]c2c1)CCO)C 62a_100000761012_100010243507 [0,0,0,0,0,1|1,0,1]=3 49 B19R2.68125 CC(=CCSc1ccc2c(c[nH]c2c1)CCO)C 62a_100010243507_100000761012 [0,0,0,0,0,1|1,0,1]=3 50 B19R2.68125 CC(=O)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000053229_100000690303 [0,0,0,0,0,1|1,0,1]=3 51 B19R2.68125 CC(=O)OCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000076356_100000690303 [0,0,0,0,0,1|2,0,0]=3 52 B19R2.68125 CC(C)CC=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100016259101_100000690303 [0,0,0,0,0,1|0,0,2]=3 53 B19R2.68125 CC(C)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210312_100000690303 [0,0,0,0,0,1|0,0,2]=3 54 B19R2.68125 CC(C)OCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000709892_100000690303 [0,0,0,0,0,1|1,0,1]=3 55 B19R2.68125 CC(O)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100012276601_100000690303 [0,0,0,0,0,1|1,0,2]=4 56 B19R2.68125 N#CCc1c[nH]c2c1ccc(c2)SCCC(=O)N 62a_100000744528_100000690303 [0,0,0,0,0,1|2,0,1]=4 57 B16R2.620 C=C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100015277604_100000690303 [2,0,0,0,0,0|0,0,2]=4 58 B16R2.620 CC=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100016259895_100000690303 [2,0,0,0,0,0|0,0,0]=2 59 B16R2.620 CC=Cc1ccc2c(c[nH]c2c1)CCO 271570a_100016259895_100010243507 [2,0,0,0,0,0|1,0,1]=4 60 B16R2.620 CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210202_100000690303 [2,0,0,0,0,0|1,0,1]=4 61 B16R2.1305 CCCCc1ccc2c(c[nH]c2c1)C#N 271570a_100020621405_100012359395 [2,0,0,0,0,0|0,0,2]=4 62 B16R2.15331 Cc1c[nH]c2c1ccc(c2)C=CC(C)C 271570a_100016257149_100010209589 [2,0,0,0,0,0|0,0,2]=4 63 B18R2.1820 C/C=C/CSc1ccc2c(c[nH]c2c1)CC#N 62a_100102629194_100000690303 [1,1,0,0,0,0|0,0,0]=2 64 B18R2.1820 C/C=C/CSc1ccc2c(c[nH]c2c1)CCO 62a_100010243507_100102629194 [1,1,0,0,0,0|1,0,1]=4 65 B18R2.1820 C/C=C/CSc1ccc2c(c[nH]c2c1)CCO 62a_100102629194_100010243507 [1,1,0,0,0,0|1,0,1]=4 66 B18R2.1820 C=CCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000754431_100000690303 [1,1,0,0,0,0|0,0,2]=4 67 B18R2.1820 CC#CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000748600_100000690303 [1,1,0,0,0,0|0,0,2]=4 68 B18R2.1820 CC=CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000070051_100000690303 [1,1,0,0,0,0|0,0,0]=2 69 B18R2.1820 CC=CCSc1ccc2c(c[nH]c2c1)CCO 62a_100000070051_100010243507 [1,1,0,0,0,0|1,0,1]=4 70 B18R2.1820 CC=CCSc1ccc2c(c[nH]c2c1)CCO 62a_100010243507_100000070051 [1,1,0,0,0,0|1,0,1]=4 71 B18R2.1820 CCCC=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100016258520_100000690303 [1,1,0,0,0,0|0,0,2]=4 72 B18R2.1820 CCCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210211_100000690303 [1,1,0,0,0,0|0,0,2]=4 73 B18R2.1820 CCOC=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100016256518_100000690303 [1,1,0,0,0,0|0,0,2]=4 74 B18R2.1820 CCOCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000739092_100000690303 [1,1,0,0,0,0|1,0,1]=4 75 B18R2.1820 COCC=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100016286323_100000690303 [1,1,0,0,0,0|0,0,2]=4 76 B18R2.1820 COCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000233755_100000690303 [1,1,0,0,0,0|1,0,1]=4 77 B18R2.1820 CSCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000212216_100000690303 [1,1,0,0,0,0|1,0,1]=4 78 B18R2.120505 CC(C)C[C@H](N)c1ccc2c(c[nH]c2c1)C#N 271570a_100015190218_100012359395 [1,1,0,0,0,0|0,0,2]=4 79 B18R2.120506 C=C(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 11a_100009877026_100000185857 [1,1,0,0,0,0|1,0,1]=4 80 B18R2.120506 C=C(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 1626a_100009877026_100000185857 [1,1,0,0,0,0|1,0,1]=4 81 B18R2.120506 C=C(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 22a_100009877026_100000185857 [1,1,0,0,0,0|1,0,1]=4 82 B18R2.120506 CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 11a_100009877026_100000210198 [1,1,0,0,0,0|1,0,1]=4 83 B18R2.120506 CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 1626a_100009877026_100000210198 [1,1,0,0,0,0|1,0,1]=4 84 B18R2.120506 CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 22a_100009877026_100000210198 [1,1,0,0,0,0|1,0,1]=4 85 B18R2.120506 CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 527a_100009877026_100000210198 [1,1,0,0,0,0|1,0,1]=4 86 B18R2.120506 CN(C)C(=O)Nc1ccc2c(c[nH]c2c1)C#N 2430a_100009877026_100102631434 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.863443 CC(C)(C)C=Cc1ccc2c(c[nH]c2c1)C#N 271570a_100102527731_100012359395 [1,1,0,0,0,0|0,0,2]=4 88 B18R2.863443 CC(C)(O)C=Cc1ccc2c(c[nH]c2c1)C#N 271570a_200016258132_100012359395 [1,1,0,0,0,0|0,0,2]=4 89 B18R2.43741 CC(C)(C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100000211941_100000690303 [0,1,0,0,1,0|1,0,1]=4 90 B18R2.43794 CC(=C(C)c1ccc2c(c[nH]c2c1)CC#N)C 271570a_200000049429_100000690303 [0,1,0,0,1,0|0,0,0]=2 91 B18R2.43794 CC(=C(C)c1ccc2c(c[nH]c2c1)CCO)C 271570a_200000049429_100010243507 [0,1,0,0,1,0|1,0,1]=4 92 B20R2.103427 CC(C)(C)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000755188_100000690303 [0,1,0,0,0,1|0,0,2]=4 93 B20R2.103427 CC(C)(O)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000702414_100000690303 [0,1,0,0,0,1|0,0,2]=4 94 B20R2.103427 C[N+](C)(C)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000085578_100000690303 [0,1,0,0,0,1|1,0,1]=4 95 B20R2.103427 C[Si](C)(C)/C=C/Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100160482004_100000690303 [0,1,0,0,0,1|0,1,0]=3 96 B20R2.103427 C[Si](C)(C)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_200000733723_100000690303 [0,1,0,0,0,1|0,1,1]=4 97 B20R2.2998620 CNC(=O)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000737683_100000690303 [0,1,0,0,0,1|1,0,1]=4 98 B20R2.2998620 COC(=O)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000204255_100000690303 [0,1,0,0,0,1|1,0,1]=4 99 B20R2.2998621 CC(=O)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100011261029_100000690303 [0,1,0,0,0,1|1,0,0]=3 100 B20R2.2998621 CC(C)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000753385_100000690303 [0,1,0,0,0,1|0,0,1]=3 101 B20R2.2998621 CN(C)C(=O)CCc1ccc2c(c[nH]c2c1)CC#N 271570a_200010232142_100000690303 [0,1,0,0,0,1|1,0,0]=3 102 B20R2.2998621 CN(C)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000692301_100000690303 [0,1,0,0,0,1|1,0,0]=3 103 B20R2.2998682 CC(=O)OC(C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100009818208_100000690303 [0,1,0,0,0,1|2,0,0]=4 104 B20R2.2998682 CC(C)CC(C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100000731052_100000690303 [0,1,0,0,0,1|0,0,2]=4 105 B20R2.2998682 CC(CN(C)C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100020606517_100000690303 [0,1,0,0,0,1|1,0,1]=4 106 B20R2.2998619 CCOC(=O)C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100010199719_100000690303 [0,2,0,0,0,0|1,0,1]=4 107 B18R2.372483 CC(C)C=Cc1cccc2c1c(c[nH]2)CC#N 271570a_100016257149_100000693483 [0,0,1,1,0,0|0,0,2]=4 108 B18R3.173593 N#Cc1c[nH]c2c1ccc(c2)C=CC3CC3 271570a_100102526188_100012359395 [1,0,0,1,0,0|0,0,2]=4 109 B18R3.118767 CC(=Cc1ccc2c3c([nH]c2c1)CCC3)C 271570a_100102525489_200016069341 [0,0,0,1,1,0|1,0,1]=4 110 B20R3.166795 Cc1cc(cs1)c2ccc3c(c[nH]c3c2)CC#N 271570a_100000699828_100000690303 [0,0,0,1,0,1|0,0,2]=4 111 B20R3.166795 Cc1ccc(o1)c2ccc3c(c[nH]c3c2)CC#N 271570a_100000061910_100000690303 [0,0,0,1,0,1|1,0,1]=4 112 B20R3.166795 Cc1ccc(s1)c2ccc3c(c[nH]c3c2)CC#N 271570a_100011934456_100000690303 [0,0,0,1,0,1|1,0,1]=4 113 B20R3.166795 Cc1csc(c1)c2ccc3c(c[nH]c3c2)CC#N 271570a_100000038307_100000690303 [0,0,0,1,0,1|0,0,2]=4 114 B20R3.166795 Cc1ncc(s1)c2ccc3c(c[nH]c3c2)CC#N 271570a_100000696845_100000690303 [0,0,0,1,0,1|1,0,1]=4 115 B20R3.427223 CC(=CCSc1ccc2c3c([nH]c2c1)CCC3)C 62a_100000761012_200016069341 [0,0,0,1,0,1|1,0,1]=4 116 B20R3.427223 CC(=CCSc1ccc2c3c([nH]c2c1)CCC3)C 62a_200016069341_100000761012 [0,0,0,1,0,1|1,0,1]=4 117 B20R3.3587878 N#CCc1c[nH]c2c1ccc(c2)SC3CC(=O)C3 62a_100009894365_100000690303 [0,0,0,1,0,1|1,0,1]=4 118 B20R3.3587879 N#CCc1c[nH]c2c1ccc(c2)SCCC3CC3 62a_100000764125_100000690303 [0,0,0,1,0,1|0,0,2]=4 119 B16R2.42258 CC(=Cc1cc2[nH]cc(c2cn1)C#N)C 271570a_100102525489_100009867832 [1,0,0,0,1,0|1,0,0]=3 120 B16R2.42258 CC(=Cc1ccc2c(c[nH]c2c1)C#N)C 271570a_100102525489_100012359395 [1,0,0,0,1,0|0,0,0]=2 121 B16R2.42258 CC(=Cc1ccc2c(c[nH]c2n1)C#N)C 271570a_100102525489_100009864344 [1,0,0,0,1,0|1,0,0]=3 122 B16R2.42258 CC(=Cc1ccc2c(n[nH]c2c1)C#N)C 271570a_100102525489_100010171363 [1,0,0,0,1,0|1,0,0]=3 123 B16R2.42258 CC(=Cc1ccc2c(n[nH]c2c1)CO)C 271570a_100102525489_100010177469 [1,0,0,0,1,0|2,0,0]=4 124 B16R2.42258 CC(=Cc1ccc2c(n[nH]c2n1)C#N)C 271570a_100102525489_100010892818 [1,0,0,0,1,0|2,0,0]=4 125 B16R2.42258 CC(=Cc1cnc2c(c[nH]c2c1)C#N)C 271570a_100102525489_100010143297 [1,0,0,0,1,0|1,0,0]=3 126 B16R2.42258 CC(=O)Nc1ccc2c(c[nH]c2c1)C#N 11a_100009877026_100015343762 [1,0,0,0,1,0|2,0,0]=4 127 B16R2.42258 CC(=O)Nc1ccc2c(c[nH]c2c1)C#N 1626a_100009877026_100015343762 [1,0,0,0,1,0|2,0,0]=4 128 B16R2.42258 CC(=O)Nc1ccc2c(c[nH]c2c1)C#N 22a_100009877026_100000070787 [1,0,0,0,1,0|2,0,0]=4 129 B16R2.42258 CC(=O)Nc1ccc2c(c[nH]c2c1)C#N 527a_100009877026_100103153847 [1,0,0,0,1,0|2,0,0]=4 130 B16R2.42258 CC(C)Sc1ccc2c(c[nH]c2c1)C#N 62a_100000210206_100012359395 [1,0,0,0,1,0|1,0,1]=4 131 B16R2.16891 C=C(C)c1ccc2c(c[nH]c2c1)CC#N 271570a_100000694244_100000690303 [0,0,0,0,2,0|0,0,1]=3 132 B18R2.120507 C=C(C)CCSc1ccc2c(c[nH]c2c1)C#N 62a_100000730704_100012359395 [1,0,0,0,0,1|0,0,2]=4 133 B18R2.120507 CC(=CCSc1cc2[nH]cc(c2cn1)C#N)C 62a_100000761012_100009867832 [1,0,0,0,0,1|1,0,0]=3 134 B18R2.120507 CC(=CCSc1ccc2c(c[nH]c2c1)C#N)C 62a_100000761012_100012359395 [1,0,0,0,0,1|0,0,0]=2 135 B18R2.120507 CC(=CCSc1ccc2c(c[nH]c2c1)C=O)C 62a_100000761012_100011361519 [1,0,0,0,0,1|1,0,1]=4 136 B18R2.120507 CC(=CCSc1ccc2c(c[nH]c2n1)C#N)C 62a_100000761012_100009864344 [1,0,0,0,0,1|1,0,0]=3 137 B18R2.120507 CC(=CCSc1ccc2c(n[nH]c2c1)C#N)C 62a_100000761012_100010171363 [1,0,0,0,0,1|1,0,0]=3 138 B18R2.120507 CC(=CCSc1ccc2c(n[nH]c2c1)CO)C 62a_100000761012_100010177469 [1,0,0,0,0,1|2,0,0]=4 139 B18R2.120507 CC(=CCSc1ccc2c(n[nH]c2n1)C#N)C 62a_100000761012_100010892818 [1,0,0,0,0,1|2,0,0]=4 140 B18R2.120507 CC(=CCSc1cnc2c(c[nH]c2c1)C#N)C 62a_100000761012_100010143297 [1,0,0,0,0,1|1,0,0]=3 141 B18R2.120507 CC(=O)CCSc1ccc2c(c[nH]c2c1)C#N 62a_100000053229_100012359395 [1,0,0,0,0,1|1,0,1]=4 142 B18R2.120507 CC(=O)OCSc1ccc2c(c[nH]c2c1)C#N 62a_100000076356_100012359395 [1,0,0,0,0,1|2,0,0]=4 143 B18R2.120507 CC(C)CC=Cc1ccc2c(c[nH]c2c1)C#N 271570a_100016259101_100012359395 [1,0,0,0,0,1|0,0,2]=4 144 B18R2.120507 CC(C)CCSc1ccc2c(c[nH]c2c1)C#N 62a_100000210312_100012359395 [1,0,0,0,0,1|0,0,2]=4 145 B18R2.120507 CC(C)OCSc1ccc2c(c[nH]c2c1)C#N 62a_100000709892_100012359395 [1,0,0,0,0,1|1,0,1]=4 146 B20R2.103430 CC(=CCCSc1ccc2c(c[nH]c2c1)CC#N)C 62a_100011217483_100000690303 [0,0,0,0,0,2|0,0,0]=2 147 B20R2.103430 CC(=CCCSc1ccc2c(c[nH]c2c1)CCO)C 62a_100010243507_100011217483 [0,0,0,0,0,2|1,0,1]=4 148 B20R2.103430 CC(=CCCSc1ccc2c(c[nH]c2c1)CCO)C 62a_100011217483_100010243507 [0,0,0,0,0,2|1,0,1]=4 149 B20R2.103430 CC(=O)CCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100011215641_100000690303 [0,0,0,0,0,2|1,0,1]=4 150 B20R2.103430 CC(=O)NCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000189650_100000690303 [0,0,0,0,0,2|1,0,1]=4 151 B20R2.103430 CC(=O)OCC=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_200000047263_100000690303 [0,0,0,0,0,2|1,0,1]=4 152 B20R2.103430 CC(=O)OCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100009814007_100000690303 [0,0,0,0,0,2|1,0,1]=4 153 B20R2.103430 CC(C)CCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100011214892_100000690303 [0,0,0,0,0,2|0,0,2]=4 154 B20R2.103430 CC(C)OCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000211751_100000690303 [0,0,0,0,0,2|0,0,2]=4 155 B20R2.103430 CC(C)SCCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000730970_100000690303 [0,0,0,0,0,2|0,0,2]=4 156 B20R2.103430 N#CCc1c[nH]c2c1ccc(c2)SCCC=C(F)F 62a_200009816681_100000690303 [0,0,0,0,0,2|2,0,0]=4 157 B15R2.1301 CC=Cc1cc2[nH]cc(c2cn1)C#N 271570a_100016259895_100009867832 [3,0,0,0,0,0|1,0,0]=4 158 B15R2.1301 CC=Cc1ccc2c(c[nH]c2c1)C#N 271570a_100016259895_100012359395 [3,0,0,0,0,0|0,0,0]=3 159 B15R2.1301 CC=Cc1ccc2c(c[nH]c2n1)C#N 271570a_100016259895_100009864344 [3,0,0,0,0,0|1,0,0]=4 160 B15R2.1301 CC=Cc1ccc2c(n[nH]c2c1)C#N 271570a_100016259895_100010171363 [3,0,0,0,0,0|1,0,0]=4 161 B15R2.1301 CC=Cc1cnc2c(c[nH]c2c1)C#N 271570a_100016259895_100010143297 [3,0,0,0,0,0|1,0,0]=4 162 B15R2.10356 C=Cc1ccc2c(c[nH]c2c1)CC#N 271570a_100011290941_100000690303 [3,0,0,0,0,0|0,0,0]=3 163 B15R2.10356 CSc1ccc2c(c[nH]c2c1)CC#N 62a_200000210301_100000690303 [3,0,0,0,0,0|1,0,0]=4 164 B15R2.10356 [13CH3]Sc1ccc2c(c[nH]c2c1)CC#N 62a_200025704644_100000690303 [3,0,0,0,0,0|1,0,0]=4 165 B17R2.2036 C/C=C/CSc1cc2[nH]cc(c2cn1)C#N 62a_100102629194_100009867832 [2,1,0,0,0,0|1,0,0]=4 166 B17R2.2036 C/C=C/CSc1ccc2c(c[nH]c2c1)C#N 62a_100102629194_100012359395 [2,1,0,0,0,0|0,0,0]=3 167 B17R2.2036 C/C=C/CSc1ccc2c(c[nH]c2n1)C#N 62a_100102629194_100009864344 [2,1,0,0,0,0|1,0,0]=4 168 B17R2.2036 C/C=C/CSc1ccc2c(n[nH]c2c1)C#N 62a_100102629194_100010171363 [2,1,0,0,0,0|1,0,0]=4 169 B17R2.2036 C/C=C/CSc1cnc2c(c[nH]c2c1)C#N 62a_100102629194_100010143297 [2,1,0,0,0,0|1,0,0]=4 170 B17R2.2036 CC=CCSc1cc2[nH]cc(c2cn1)C#N 62a_100000070051_100009867832 [2,1,0,0,0,0|1,0,0]=4 171 B17R2.2036 CC=CCSc1ccc2c(c[nH]c2c1)C#N 62a_100000070051_100012359395 [2,1,0,0,0,0|0,0,0]=3 172 B17R2.2036 CC=CCSc1ccc2c(c[nH]c2n1)C#N 62a_100000070051_100009864344 [2,1,0,0,0,0|1,0,0]=4 173 B17R2.2036 CC=CCSc1ccc2c(n[nH]c2c1)C#N 62a_100000070051_100010171363 [2,1,0,0,0,0|1,0,0]=4 174 B17R2.2036 CC=CCSc1cnc2c(c[nH]c2c1)C#N 62a_100000070051_100010143297 [2,1,0,0,0,0|1,0,0]=4 175 B17R2.72833 CC(=C(C)c1cc2[nH]cc(c2cn1)C#N)C 271570a_200000049429_100009867832 [1,1,0,0,1,0|1,0,0]=4 176 B17R2.72833 CC(=C(C)c1ccc2c(c[nH]c2c1)C#N)C 271570a_200000049429_100012359395 [1,1,0,0,1,0|0,0,0]=3 177 B17R2.72833 CC(=C(C)c1ccc2c(c[nH]c2n1)C#N)C 271570a_200000049429_100009864344 [1,1,0,0,1,0|1,0,0]=4 178 B17R2.72833 CC(=C(C)c1ccc2c(n[nH]c2c1)C#N)C 271570a_200000049429_100010171363 [1,1,0,0,1,0|1,0,0]=4 179 B17R2.72833 CC(=C(C)c1cnc2c(c[nH]c2c1)C#N)C 271570a_200000049429_100010143297 [1,1,0,0,1,0|1,0,0]=4 180 B19R2.194837 C[Si](C)(C)/C=C/Cc1ccc2c(c[nH]c2c1)C#N 271570a_100160482004_100012359395 [1,1,0,0,0,1|0,1,0]=4 181 B19R2.1638475 CC(=O)C(=O)CSc1ccc2c(c[nH]c2c1)C#N 62a_100011261029_100012359395 [1,1,0,0,0,1|1,0,0]=4 182 B19R2.1638475 CC(C)C(=O)CSc1ccc2c(c[nH]c2c1)C#N 62a_100000753385_100012359395 [1,1,0,0,0,1|0,0,1]=4 183 B19R2.1638475 CN(C)C(=O)CCc1ccc2c(c[nH]c2c1)C#N 271570a_200010232142_100012359395 [1,1,0,0,0,1|1,0,0]=4 184 B19R2.1638475 CN(C)C(=O)CSc1ccc2c(c[nH]c2c1)C#N 62a_100000692301_100012359395 [1,1,0,0,0,1|1,0,0]=4 185 B19R2.1638527 CC(=CC(=O)Nc1ccc2c(c[nH]c2c1)C#N)C 11a_100009877026_100000211388 [1,1,0,0,0,1|0,0,1]=4 186 B19R2.1638527 CC(=CC(=O)Nc1ccc2c(c[nH]c2c1)C#N)C 1626a_100009877026_100000211388 [1,1,0,0,0,1|0,0,1]=4 187 B19R2.1638527 CC(=CC(=O)Nc1ccc2c(c[nH]c2c1)C#N)C 22a_100009877026_100000211388 [1,1,0,0,0,1|0,0,1]=4 188 B19R2.5474 CC/C=C\CSc1ccc2c(c[nH]c2c1)CC#N 62a_100103147603_100000690303 [1,2,0,0,0,0|0,0,0]=3 189 B19R2.194839 C/C=C(\C)/C(=O)Nc1ccc2c(c[nH]c2c1)C#N 11a_100009877026_100020587367 [1,2,0,0,0,0|1,0,0]=4 190 B19R2.194839 C/C=C(\C)/C(=O)Nc1ccc2c(c[nH]c2c1)C#N 1626a_100009877026_100020587367 [1,2,0,0,0,0|1,0,0]=4 191 B19R2.194839 C/C=C(\C)/C(=O)Nc1ccc2c(c[nH]c2c1)C#N 22a_100009877026_100020587367 [1,2,0,0,0,0|1,0,0]=4 192 B21R2.151457 COC(=O)/C=C/CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000742655_100000690303 [0,1,0,0,0,2|1,0,0]=4 193 B21R2.151459 CC(C)C(=O)OCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000139345_100000690303 [0,1,0,0,0,2|0,0,1]=4 194 B21R2.151459 CN(C)C(=O)CCSc1ccc2c(c[nH]c2c1)CC#N 62a_100000737620_100000690303 [0,1,0,0,0,2|1,0,0]=4 195 B21R2.3723076 CC(C)NC(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000183996_100000690303 [0,1,0,0,0,2|0,0,1]=4 196 B21R2.3723076 CC(C)OC(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100011215430_100000690303 [0,1,0,0,0,2|0,0,1]=4 197 B21R2.3723130 CC(C)(C)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000210923_100000690303 [0,2,0,0,0,1|0,0,1]=4 198 B21R2.3723187 C=C(CSc1ccc2c(c[nH]c2c1)CC#N)C(=O)OC 62a_100009813391_100000690303 [0,2,0,0,0,1|1,0,0]=4 199 B21R2.3723187 CCN(C)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000738999_100000690303 [0,2,0,0,0,1|1,0,0]=4 200 B21R2.3723187 COC(=O)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100011610305_100000690303 [0,2,0,0,0,1|1,0,0]=4 201 B21R2.3723187 CON(C)C(=O)CSc1ccc2c(c[nH]c2c1)CC#N 62a_100000764215_100000690303 [0,2,0,0,0,1|1,0,0]=4 202 B21R2.3723188 CC(C)C(=O)C(C)Sc1ccc2c(c[nH]c2c1)CC#N 62a_100009893295_100000690303 [0,2,0,0,0,1|0,0,1]=4 203 B21R2.3723188 CC(Sc1ccc2c(c[nH]c2c1)CC#N)C(=O)N(C)C 62a_100000209910_100000690303 [0,2,0,0,0,1|1,0,0]=4 204 B17R2.203698 CC(=Cc1cccc2c1c(c[nH]2)CC#N)C 271570a_100102525489_100000693483 [0,0,1,1,1,0|0,0,0]=3 205 B17R3.36992 N#CCc1c[nH]c2c1ccc(c2)C3CC3 271570a_100011220607_100000690303 [2,0,0,1,0,0|0,0,1]=4 206 B19R2.658240 CC(=CCSc1cccc2c1c(c[nH]2)CC#N)C 62a_100000761012_100000693483 [0,0,1,1,0,1|0,0,0]=3 207 B21R3.5164706 N#CCc1c[nH]c2c1ccc(c2)SCC(=O)C3CC3 62a_100000746382_100000690303 [0,1,0,1,0,1|0,0,1]=4 208 B15R1.779 CC(=Cc1ccc(cc1)C(=O)CC#N)C 271570a_100102525489_100000740217 [1,0,1,0,1,0|1,0,0]=4 209 B15R2.9245 CC(=Cc1ccc2c(c[nH]c2c1)C)C 271570a_100102525489_100010209589 [2,0,0,0,1,0|0,0,0]=3 210 B15R2.9245 CC(=Cc1ccc2c(coc2c1)C)C 271570a_100102525489_100010775837 [2,0,0,0,1,0|1,0,0]=4 211 B15R2.9245 CC(=Cc1ccc2c(n[nH]c2c1)C)C 271570a_100102525489_100009816850 [2,0,0,0,1,0|1,0,0]=4 212 B15R2.2965 C=C(C)c1ccc2c(c[nH]c2c1)C#N 271570a_100000694244_100012359395 [1,0,0,0,2,0|0,0,1]=4 213 B17R1.943 CC(=CCOc1ccc(cc1)C(=O)CC#N)C 7a_100009871544_100000761012 [1,0,1,0,0,1|1,0,0]=4 214 B17R1.943 CC(=CCSc1ccc(cc1)C(=O)CC#N)C 62a_100000740217_100000761012 [1,0,1,0,0,1|1,0,0]=4 215 B17R1.943 CC(=CCSc1ccc(cc1)C(=O)CC#N)C 62a_100000761012_100000740217 [1,0,1,0,0,1|1,0,0]=4 216 B17R2.25204 CC(=CCSc1ccc2c(c[nH]c2c1)C)C 62a_100000761012_100010209589 [2,0,0,0,0,1|0,0,0]=3 217 B17R2.25204 CC(=CCSc1ccc2c(coc2c1)C)C 62a_100000761012_100010775837 [2,0,0,0,0,1|1,0,0]=4 218 B17R2.25204 CC(=CCSc1ccc2c(n[nH]c2c1)C)C 62a_100000761012_100009816850 [2,0,0,0,0,1|1,0,0]=4