0 B26R3.67036777 COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=CC(=C3)C)Br)O MCULE-1075881819 [0,0,0,0,0,0|0,0,0]=0 1 B26R3.67036777 COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC(=CC=C3N2)C)Br)O MCULE-9961742723 [0,0,0,0,0,0|0,0,0]=0 2 B25R3.7173950 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)O MCULE-6041685749 [1,0,0,0,0,0|0,0,2]=3 3 B25R3.35908166 CC1=CC2=C(C=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3C)C)C)/C#N MCULE-8362858303 [1,0,0,0,0,0|2,0,0]=3 4 B25R3.35908166 CC1=CC2=C(C=C1)NC(=N2)C(=CC3=CC(=C(C=C3C)C)C)C#N MCULE-8435998978 [1,0,0,0,0,0|2,0,0]=3 5 B25R3.362531453 COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=CC=C3)Br)O MCULE-7230888102 [1,0,0,0,0,0|0,0,0]=1 6 B25R3.362531453 COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)O MCULE-9223654325 [1,0,0,0,0,0|0,0,0]=1 7 B27R3.98704539 CCOC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C)Br)O MCULE-8894995495 [0,1,0,0,0,0|0,0,0]=1 8 B27R3.444566479 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OC MCULE-2802677533 [0,1,0,0,0,0|0,0,2]=3 9 B27R3.444566479 COC1=CC(=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C)Br MCULE-4980978207 [0,1,0,0,0,0|0,0,0]=1 10 B27R3.1131298117 COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC(=C(C=C3N2)C)C)Br)O MCULE-4197714291 [0,1,0,0,0,0|0,0,0]=1 11 B27R4.32811621 CC1=CC2=C(C=C1)NC(=N2)/C(=C/C3=CC4=C(C=C3Br)OCO4)/C#N MCULE-1942428734 [0,0,0,1,0,0|0,0,0]=1 12 B27R4.32811621 CC1=CC=C2NC(=NC2=C1)C(=CC3=C(C=C4OCOC4=C3)Br)C#N MCULE-2225779246 [0,0,0,1,0,0|0,0,0]=1 13 B27R4.32811621 CC1=CC=C2NC(=NC2=C1)C(=CC3=C(C=C4OCOC4=C3)Cl)C#N MCULE-5990683432 [0,0,0,1,0,0|0,1,0]=2 14 B24R2.75511 COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C)O MCULE-4815162198 [1,0,1,0,0,0|1,0,0]=3 15 B24R2.75511 COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)O MCULE-7607809564 [1,0,1,0,0,0|2,0,0]=4 16 B24R2.75511 COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)F)O MCULE-2505003940 [1,0,1,0,0,0|2,0,0]=4 17 B24R2.75511 COC1=CC(=CC=C1O)C=C(C#N)C(=O)NC2=CC=C(C=C2)O MCULE-1888882858 [1,0,1,0,0,0|2,0,0]=4 18 B24R2.1197164 COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)O MCULE-6363026865 [1,0,1,0,0,0|1,0,0]=3 19 B24R2.3952300 COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)C)O MCULE-8129725391 [1,0,1,0,0,0|1,0,1]=4 20 B24R3.601182 CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)O)O)C#N MCULE-7410190335 [2,0,0,0,0,0|0,0,2]=4 21 B24R3.601182 CC1=CC=C2NC(=NC2=C1)C(=CC3=CC(=C(C=C3)O)I)C#N MCULE-6100485616 [2,0,0,0,0,0|1,0,0]=3 22 B24R3.47461935 COC1=CC=CC(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C MCULE-3813555594 [2,0,0,0,0,0|0,0,2]=4 23 B24R3.47461935 COC1=CC=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C MCULE-6850124977 [2,0,0,0,0,0|0,0,2]=4 24 B24R3.69769831 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(S2)C=CC=C3)C MCULE-1521013300 [2,0,0,0,0,0|2,0,0]=4 25 B24R3.69769831 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)O MCULE-8524284159 [2,0,0,0,0,0|0,0,0]=2 26 B24R3.69769831 COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3O2)O MCULE-4291812200 [2,0,0,0,0,0|1,0,0]=3 27 B24R3.69769831 COC1=CC(=CC=C1O)C=C(C#N)C2=NC3=C(S2)C=CC=C3 MCULE-9218771132 [2,0,0,0,0,0|1,0,0]=3 28 B26R2.1098819 COC1=C(C(=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Br)Br)Br)O MCULE-9026780958 [0,1,1,0,0,0|2,0,0]=4 29 B26R2.4959070 CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C)Br)O MCULE-7626116402 [0,1,1,0,0,0|1,0,0]=3 30 B26R2.12053527 CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)O)OC)C#N MCULE-3172793889 [0,1,1,0,0,0|1,0,0]=3 31 B26R2.37214903 COC1=CC(=C(C=C1OC)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)Br MCULE-2538851143 [0,1,1,0,0,0|2,0,0]=4 32 B26R2.1085462 COC1=CC(=C(C(=C1O)Br)Br)C=C(C#N)C(=O)NC2=CC(=CC=C2)C MCULE-2749908658 [0,1,1,0,0,0|1,0,1]=4 33 B26R3.36670377 COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Br)O MCULE-9921056658 [1,1,0,0,0,0|0,0,2]=4 34 B26R3.36670377 COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC(=CC=C3N2)C)Cl)O MCULE-4899435381 [1,1,0,0,0,0|0,0,0]=2 35 B26R3.40406608 CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)O MCULE-4375866092 [1,1,0,0,0,0|0,0,2]=4 36 B26R3.40406608 CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)O MCULE-9184528379 [1,1,0,0,0,0|0,0,2]=4 37 B26R3.44572142 CC1=CC2=C(C=C1)NC(=N2)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C#N MCULE-2893475766 [1,1,0,0,0,0|2,0,0]=4 38 B26R3.109151461 COC1=CC=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C MCULE-9720643789 [1,1,0,0,0,0|0,0,2]=4 39 B26R3.109151461 COC1=CC=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C MCULE-7573566889 [1,1,0,0,0,0|0,0,0]=2 40 B26R3.427741175 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C)O MCULE-7816799290 [1,1,0,0,0,0|0,0,0]=2 41 B26R3.467731985 CC1=CC2=C(C=C1)NC(=N2)C(=CC3=C(C=C(C(=C3Br)O)Br)Br)C#N MCULE-9699844038 [1,1,0,0,0,0|1,0,0]=3 42 B26R3.67008465 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(N2)C=CC=C3)OC MCULE-7003702322 [1,1,0,0,0,0|0,0,0]=2 43 B26R3.67008465 COC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=C(S2)C=CC=C3)OC MCULE-4738178146 [1,1,0,0,0,0|1,0,0]=3 44 B26R3.67008465 COC1=CC(=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC=C3)Br MCULE-9723014815 [1,1,0,0,0,0|0,0,0]=2 45 B26R3.67008465 COC1=CC(=C(C=C1OC)C=C(C#N)C2=NC3=C(N2)C=CC=C3)Cl MCULE-2195751743 [1,1,0,0,0,0|0,1,0]=3 46 B26R3.309825646 COC1=CC(=C(C(=C1O)Br)Br)C=C(C#N)C2=NC3=C(N2)C=CC=C3 MCULE-4238462284 [1,1,0,0,0,0|0,0,0]=2 47 B26R3.1285631945 CCOC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)O MCULE-6036321709 [1,1,0,0,0,0|0,0,0]=2 48 B28R3.1597092547 CCOC1=C(C=C(C(=C1)Br)C=C(C#N)C2=NC3=CC(=CC=C3N2)C)OC MCULE-5712102992 [0,2,0,0,0,0|0,0,0]=2 49 B26R3.5810866 CC1=CC=C(C=C1)NC(=O)C(=CC2=C(C=C3OCOC3=C2)Br)C#N MCULE-8320337045 [0,0,1,1,0,0|1,0,0]=3 50 B26R3.5810866 CC1=CC=C(C=C1)NC(=O)C(=CC2=C(C=C3OCOC3=C2)Cl)C#N MCULE-5409427451 [0,0,1,1,0,0|1,1,0]=4 51 B26R3.5810866 N#CC(=CC1=CC2=C(C=C1Br)OCO2)C(=O)NC3=CC=C(C=C3)F MCULE-9839650238 [0,0,1,1,0,0|2,0,0]=4 52 B26R3.307569431 CC1=CC(=CC=C1)NC(=O)C(=CC2=C(C=C3OCOC3=C2)Br)C#N MCULE-9745944494 [0,0,1,1,0,0|1,0,1]=4 53 B26R4.4262224 CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3)OCO4)C#N MCULE-2556252895 [1,0,0,1,0,0|0,0,2]=4 54 B26R4.163491530 N#C/C(=C\C1=CC2=C(C=C1Br)OCO2)/C3=NC4=C(N3)C=CC=C4 MCULE-1782006539 [1,0,0,1,0,0|0,0,0]=2 55 B26R4.163491530 N#CC(=CC1=C(C=C2OCOC2=C1)Br)C3=NC4=C(N3)C=CC=C4 MCULE-4731675532 [1,0,0,1,0,0|0,0,0]=2 56 B26R4.163491530 N#CC(=CC1=C(C=C2OCOC2=C1)Br)C3=NC4=CC=CC=C4S3 MCULE-1320659224 [1,0,0,1,0,0|1,0,0]=3 57 B26R4.163491530 N#CC(=CC1=CC2=C(C=C1Cl)OCO2)C3=NC4=C(N3)C=CC=C4 MCULE-8545437347 [1,0,0,1,0,0|0,1,0]=3 58 B28R4.382824014 COC1=CC=C2NC(=NC2=C1)C(=CC3=C(C=C4OCOC4=C3)Br)C#N MCULE-7137777023 [0,1,0,1,0,0|0,0,0]=2 59 B28R4.382824014 COC1=CC=C2NC(=NC2=C1)C(=CC3=C(C=C4OCOC4=C3)Cl)C#N MCULE-2931781324 [0,1,0,1,0,0|0,1,0]=3 60 B26R3.127431941 COC1=C(C=C(C=C1Cl)Cl)/C=C(\C#N)/C2=NC3=C(N2)C=CC(=C3)C MCULE-5046122349 [0,0,0,0,1,1|1,1,0]=4 61 B26R3.127431941 COC1=C(C=C(C=C1Cl)Cl)C=C(C#N)C2=NC3=C(N2)C=CC(=C3)C MCULE-4206525370 [0,0,0,0,1,1|1,1,0]=4