0 B20R1.155258 CC(=C(C#N)C(=O)Cc1ccc(c(c1)Br)C(F)(F)F)C 1458a_100000137542_100010172766 [0,1,0,0,0,0|2,0,0]=3 1 B20R1.155258 CC(=C(C#N)C(=O)Cc1ccc(c(c1)Cl)C(F)(F)F)C 1458a_100000137542_100009815855 [0,1,0,0,0,0|2,0,0]=3 2 B20R1.155258 CC(=C(C#N)C(=O)Cc1ccc(c(c1)F)C(F)(F)F)C 1458a_100000137542_100009813608 [0,1,0,0,0,0|2,0,0]=3 3 B20R1.155258 CC(=C(C#N)C(=O)Cc1ccc(c(c1)I)C(F)(F)F)C 1458a_100000137542_100010150457 [0,1,0,0,0,0|2,0,0]=3 4 B20R1.155258 CC(=C(C#N)C(=O)Nc1ccc(c(c1)C)C(F)(F)F)C 22a_100000763070_100000137542 [0,1,0,0,0,0|1,0,0]=2 5 B20R1.155258 CC(=C(C#N)C(=O)Nc1ccc(c(c1)F)C(F)(F)F)C 22a_100000040166_100000137542 [0,1,0,0,0,0|1,0,0]=2 6 B20R1.3150183 CC(=C(C#N)C(=O)Cc1ccc(cc1Br)C(F)(F)F)C 1458a_100000137542_100009814343 [0,1,0,0,0,0|2,0,0]=3 7 B20R1.3150183 CC(=C(C#N)C(=O)Cc1ccc(cc1Cl)C(F)(F)F)C 1458a_100000137542_100010180559 [0,1,0,0,0,0|2,0,0]=3 8 B20R1.3150183 CC(=C(C#N)C(=O)Cc1ccc(cc1F)C(F)(F)F)C 1458a_100000137542_100009813880 [0,1,0,0,0,0|2,0,0]=3 9 B20R1.3150183 CC(=C(C#N)C(=O)Cc1ccc(cc1I)C(F)(F)F)C 1458a_100000137542_100010196321 [0,1,0,0,0,0|2,0,0]=3 10 B20R1.3150183 CC(=C(C#N)C(=O)Cc1ccc(nc1C)C(F)(F)F)C 1458a_100000137542_100010168131 [0,1,0,0,0,0|3,0,0]=4 11 B20R1.3150183 CC(=C(C#N)C(=O)Cc1ncc(cc1Cl)C(F)(F)F)C 1458a_100000137542_100010065765 [0,1,0,0,0,0|3,0,0]=4 12 B20R1.3150183 CC(=C(C#N)C(=O)Nc1ccc(cc1C)C(F)(F)F)C 22a_100102669919_100000137542 [0,1,0,0,0,0|1,0,0]=2 13 B20R1.3150183 CC(=C(C#N)C(=O)Nc1ccc(cc1O)C(F)(F)F)C 22a_100000068589_100000137542 [0,1,0,0,0,0|1,0,0]=2 14 B20R1.31748 CC(C)/C=C(\C#N)/C(=O)Cc1ccc(cc1)C(F)(F)F 1458a_200042966509_100000217503 [0,0,0,0,0,1|2,0,1]=4 15 B20R1.31748 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F 1626a_100000210975_200042966509 [0,0,0,0,0,1|1,0,1]=3 16 B20R1.79605 CC(=C(C#N)C(=O)CCc1ccc(cc1)C(F)(F)F)C 1458a_100000137542_100011740632 [0,0,0,0,0,1|2,0,0]=3 17 B20R1.79605 CC(=C(C#N)C(=O)NNc1ccc(cc1)C(F)(F)F)C 22a_100000691530_100000137542 [0,0,0,0,0,1|1,0,0]=2 18 B20R1.79605 CC(=C(C#N)C(=O)NNc1ccc(cn1)C(F)(F)F)C 22a_100000183250_100000137542 [0,0,0,0,0,1|2,0,0]=3 19 B20R1.79605 CC(=C(C#N)C(=O)NNc1ccc(nc1)C(F)(F)F)C 22a_100000102735_100000137542 [0,0,0,0,0,1|2,0,0]=3 20 B20R1.155234 CC(=C(C#N)C(=O)Cc1ccc(cc1)OC(F)(F)F)C 1458a_100000137542_100000736222 [0,0,0,0,0,1|2,0,0]=3 21 B20R1.155234 CC(=C(C#N)C(=O)Cc1ccc(cc1)SC(F)(F)F)C 1458a_100000137542_100011220091 [0,0,0,0,0,1|2,0,0]=3 22 B20R1.155234 CC(=C(C#N)C(=O)Nc1ccc(cc1)CC(F)(F)F)C 22a_100000081866_100000137542 [0,0,0,0,0,1|1,0,0]=2 23 B20R1.155234 CC(=C(C#N)C(=O)Nc1ccc(cc1)OC(F)(F)F)C 22a_100000210674_100000137542 [0,0,0,0,0,1|1,0,0]=2 24 B20R1.155234 CC(=C(C#N)C(=O)Nc1ccc(cc1)SC(F)(F)F)C 22a_100000183630_100000137542 [0,0,0,0,0,1|1,0,0]=2 25 B20R1.881076 N#CC(NC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)N 512a_100000210975_100000039599 [0,0,0,0,0,1|1,0,2]=4 26 B21R1.35627 CC(C)/C=C(\C#N)/C(=O)N(C)c1ccc(cc1)C(F)(F)F 1626a_100000220668_200042966509 [0,1,0,0,0,1|1,0,1]=4 27 B21R1.35707 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(c(c1)Br)C(F)(F)F 1626a_100000709241_200042966509 [0,1,0,0,0,1|1,0,1]=4 28 B21R1.35707 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)C(F)(F)F 1626a_100000043099_200042966509 [0,1,0,0,0,1|1,0,1]=4 29 B21R1.35707 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(c(c1)F)C(F)(F)F 1626a_100000040166_200042966509 [0,1,0,0,0,1|1,0,1]=4 30 B21R1.35707 Cc1cc(ccc1C(F)(F)F)NC(=O)/C(=C/C(C)C)/C#N 1626a_100000763070_200042966509 [0,1,0,0,0,1|1,0,1]=4 31 B21R1.626059 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1Br)C(F)(F)F 1626a_100000759901_200042966509 [0,1,0,0,0,1|1,0,1]=4 32 B21R1.626059 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1Cl)C(F)(F)F 1626a_100000211848_200042966509 [0,1,0,0,0,1|1,0,1]=4 33 B21R1.626059 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1F)C(F)(F)F 1626a_100011217095_200042966509 [0,1,0,0,0,1|1,0,1]=4 34 B21R1.626059 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1I)C(F)(F)F 1626a_100011216353_200042966509 [0,1,0,0,0,1|1,0,1]=4 35 B21R1.626059 Cc1cc(ccc1NC(=O)/C(=C/C(C)C)/C#N)C(F)(F)F 1626a_100102669919_200042966509 [0,1,0,0,0,1|1,0,1]=4 36 B21R1.93822 CC(=C(C#N)C(=O)NNc1ccc(cc1Cl)C(F)(F)F)C 22a_100016990186_100000137542 [0,1,0,0,0,1|1,0,0]=3 37 B21R1.93822 CC(=C(C#N)C(=O)NNc1ccc(cc1F)C(F)(F)F)C 22a_100020586978_100000137542 [0,1,0,0,0,1|1,0,0]=3 38 B21R1.93822 CC(=C(C#N)C(=O)NNc1ncc(cc1Br)C(F)(F)F)C 22a_200010223256_100000137542 [0,1,0,0,0,1|2,0,0]=4 39 B21R1.93822 CC(=C(C#N)C(=O)NNc1ncc(cc1Cl)C(F)(F)F)C 22a_100000184055_100000137542 [0,1,0,0,0,1|2,0,0]=4 40 B21R1.93822 CC(=C(C#N)C(=O)NNc1ncc(cc1F)C(F)(F)F)C 22a_100000122388_100000137542 [0,1,0,0,0,1|2,0,0]=4 41 B21R1.1333771 CC(=C(C#N)C(=O)CC(=O)c1ccc(cc1)C(F)(F)F)C 1458a_100000137542_100000233778 [0,1,0,0,0,1|2,0,0]=4 42 B21R1.1334106 CC(=C(C#N)C(=O)NNc1ccc(c(c1)F)C(F)(F)F)C 22a_100161188275_100000137542 [0,1,0,0,0,1|1,0,0]=3 43 B21R1.206351 CC(=C(C#N)C(=O)N(C)c1ccc(cc1)OC(F)(F)F)C 22a_100000220527_100000137542 [0,1,0,0,0,1|1,0,0]=3 44 B21R1.3925732 CC(=C(C#N)C(=O)Nc1ccc(cc1)C(O)C(F)(F)F)C 22a_200009954901_100000137542 [0,1,0,0,0,1|1,0,0]=3 45 B21R1.3925962 CC(=C(C#N)C(=O)Cc1ccc(c(c1)Cl)OC(F)(F)F)C 1458a_100000137542_100009813905 [0,1,0,0,0,1|2,0,0]=4 46 B21R1.3925962 CC(=C(C#N)C(=O)Nc1ccc(c(c1)Br)OC(F)(F)F)C 22a_100000690537_100000137542 [0,1,0,0,0,1|1,0,0]=3 47 B21R1.3925962 CC(=C(C#N)C(=O)Nc1ccc(c(c1)C)OC(F)(F)F)C 22a_100012179640_100000137542 [0,1,0,0,0,1|1,0,0]=3 48 B21R1.3925962 CC(=C(C#N)C(=O)Nc1ccc(c(c1)Cl)OC(F)(F)F)C 22a_100011216966_100000137542 [0,1,0,0,0,1|1,0,0]=3 49 B21R1.3925962 CC(=C(C#N)C(=O)Nc1ccc(c(c1)Cl)SC(F)(F)F)C 22a_100011219963_100000137542 [0,1,0,0,0,1|1,0,0]=3 50 B21R1.3925962 CC(=C(C#N)C(=O)Nc1ccc(c(c1)F)OC(F)(F)F)C 22a_100011830419_100000137542 [0,1,0,0,0,1|1,0,0]=3 51 B21R1.3925962 CC(=C(C#N)C(=O)Nc1ccc(c(c1)I)OC(F)(F)F)C 22a_100010288552_100000137542 [0,1,0,0,0,1|1,0,0]=3 52 B21R1.11457852 CC(=C(C#N)C(=O)Cc1ccc(cc1F)OC(F)(F)F)C 1458a_100000137542_100010073907 [0,1,0,0,0,1|2,0,0]=4 53 B21R1.11457852 CC(=C(C#N)C(=O)Nc1ccc(cc1Br)SC(F)(F)F)C 22a_100010778881_100000137542 [0,1,0,0,0,1|1,0,0]=3 54 B21R1.11457852 CC(=C(C#N)C(=O)Nc1ccc(cc1C)OC(F)(F)F)C 22a_100011217777_100000137542 [0,1,0,0,0,1|1,0,0]=3 55 B21R1.11457852 CC(=C(C#N)C(=O)Nc1ccc(cc1Cl)OC(F)(F)F)C 22a_100011219901_100000137542 [0,1,0,0,0,1|1,0,0]=3 56 B21R1.11457852 CC(=C(C#N)C(=O)Nc1ccc(cc1F)OC(F)(F)F)C 22a_103624766904_100000137542 [0,1,0,0,0,1|1,0,0]=3 57 B21R1.1318851 CC(=C(C#N)C(=O)C(F)(F)c1ccc(cc1)C(F)(F)F)C 1458a_100000137542_200000039352 [0,2,0,0,0,0|2,0,0]=4 58 B21R1.159266 COc1cc(ccc1C(F)(F)F)CC(=O)C(=C(C)C)C#N 1458a_100000137542_100010150701 [0,2,0,0,0,0|2,0,0]=4 59 B21R1.159266 COc1cc(ccc1C(F)(F)F)NC(=O)C(=C(C)C)C#N 22a_106744473717_100000137542 [0,2,0,0,0,0|1,0,0]=3 60 B21R1.1318885 CC(=C(C#N)C(=O)Nc1cc(c(c(c1)Cl)C(F)(F)F)Cl)C 22a_100000037072_100000137542 [0,2,0,0,0,0|1,0,0]=3 61 B21R1.11441938 CC(=C(C#N)C(=O)Cc1ccc(c(c1F)F)C(F)(F)F)C 1458a_100000137542_100009814411 [0,2,0,0,0,0|2,0,0]=4 62 B21R1.156913 COc1cc(ccc1CC(=O)C(=C(C)C)C#N)C(F)(F)F 1458a_100000137542_100009815882 [0,2,0,0,0,0|2,0,0]=4 63 B21R1.9020936 CC(=C(C#N)C(=O)Cc1c(cc(cc1Br)C(F)(F)F)F)C 1458a_100000137542_100021417508 [0,2,0,0,0,0|2,0,0]=4 64 B21R2.2807647 Cc1nn(c(c1C#N)N)c2ccc(cc2)SC(F)(F)F 62a_200000243211_200006008785 [0,0,0,1,0,1|2,0,0]=4 65 B21R2.9227451 CC(=C(C#N)C(=O)Nc1ccc2c(c1)OC(O2)(F)F)C 22a_100000205996_100000137542 [0,0,0,1,0,1|2,0,0]=4 66 B21R2.107484 CC1=C(OCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 11a_100000210975_100000068647 [0,1,0,1,0,0|1,0,1]=4 67 B21R2.107484 CC1=C(OCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 1626a_100000210975_100000068647 [0,1,0,1,0,0|1,0,1]=4 68 B21R2.107484 CC1=C(OCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 22a_100000210975_100000068647 [0,1,0,1,0,0|1,0,1]=4 69 B21R2.107484 CC1=C(OCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 527a_100000210975_100000068647 [0,1,0,1,0,0|1,0,1]=4 70 B21R2.107484 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 11a_100000210975_100000022711 [0,1,0,1,0,0|1,0,1]=4 71 B21R2.107484 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 1626a_100000210975_100000022711 [0,1,0,1,0,0|1,0,1]=4 72 B21R2.107484 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 22a_100000210975_100000022711 [0,1,0,1,0,0|1,0,1]=4 73 B21R2.107484 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)C(F)(F)F 527a_100000210975_100000022711 [0,1,0,1,0,0|1,0,1]=4 74 B21R1.35680 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1)CC(F)(F)F 1626a_100000081866_200042966509 [0,0,0,0,0,2|1,0,1]=4 75 B21R1.35680 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1)OC(F)(F)F 1626a_100000210674_200042966509 [0,0,0,0,0,2|1,0,1]=4 76 B21R1.35680 CC(C)/C=C(\C#N)/C(=O)Nc1ccc(cc1)SC(F)(F)F 1626a_100000183630_200042966509 [0,0,0,0,0,2|1,0,1]=4 77 B21R1.93667 CC(C)/C=C(\C#N)/C(=O)NCc1ccc(cc1)C(F)(F)F 1626a_100000230367_200042966509 [0,0,0,0,0,2|1,0,1]=4 78 B21R1.93792 CC(=C(C#N)C(=O)NNCc1ccc(cc1)C(F)(F)F)C 22a_100016994584_100000137542 [0,0,0,0,0,2|1,0,0]=3 79 B21R1.1334090 CC(=C(C#N)C(=O)NNc1ccc(cc1)OC(F)(F)F)C 22a_100000735001_100000137542 [0,0,0,0,0,2|1,0,0]=3 80 B21R1.3925731 CC(=C(C#N)C(=O)Nc1ccc(cc1)OCC(F)(F)F)C 22a_100000240048_100000137542 [0,0,0,0,0,2|1,0,0]=3