0 B28R3.956191 N#Cc1cccc(c1Cl)COc2ccc(cc2)c3ccc(cc3)[N+](=O)[O-] 7a_100000009330_100010147161 [0,0,0,0,0,0|3,0,1]=4 1 B27R3.38257 N#Cc1cccc(c1Cl)CSc2ccc(cc2)c3ccc(cc3)C=O 62a_100011941507_100010147161 [1,0,0,0,0,0|2,1,0]=4 2 B27R3.1308256 CC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000185465 [1,0,0,0,0,0|3,0,0]=4 3 B27R3.1308256 CC(=O)c1ccc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000684857 [1,0,0,0,0,0|2,0,0]=3 4 B27R3.1308256 CC(=O)c1cnc(cn1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100009883172 [1,0,0,0,0,0|3,0,0]=4 5 B27R3.1308256 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000099681 [1,0,0,0,0,0|1,0,0]=2 6 B27R3.1308256 CC(C)c1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000102307 [1,0,0,0,0,0|2,0,1]=4 7 B27R3.1308256 CC(O)c1ccc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_200010274204 [1,0,0,0,0,0|2,0,1]=4 8 B27R3.1308256 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cc3)C(=O)N 271570a_100006155258_100000162191 [1,0,0,0,0,0|3,0,0]=4 9 B27R3.1308256 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cn3)B(O)O 271570a_100006155258_100000688115 [1,0,0,0,0,0|2,0,1]=4 10 B27R3.1308256 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cn3)C(=O)N 271570a_100006155258_100000162237 [1,0,0,0,0,0|2,0,0]=3 11 B27R3.1308256 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(nn3)C(=O)N 271570a_100006155258_100000761398 [1,0,0,0,0,0|3,0,0]=4 12 B27R3.1308256 N#Cc1cccc(c1)COc2ccc(cc2)c3cnc(cn3)C(=O)N 271570a_100006155258_100000738300 [1,0,0,0,0,0|3,0,0]=4 13 B29R3.12037785 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3Br)C#N 34a_100020631646_100010145452 [0,1,0,0,0,0|2,1,0]=4 14 B29R3.12037785 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3Br)C#N 7a_100020631646_100010145452 [0,1,0,0,0,0|2,1,0]=4 15 B29R3.12037785 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3Cl)C#N 7a_100020631646_100010147161 [0,1,0,0,0,0|2,0,0]=3 16 B29R3.12037785 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3F)C#N 34a_100020631646_100000695645 [0,1,0,0,0,0|2,1,0]=4 17 B29R3.12037785 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3F)C#N 7a_100020631646_100000695645 [0,1,0,0,0,0|2,1,0]=4 18 B29R3.12037785 COC(=O)c1ccc(cc1)c2ccc(cc2)SCc3cccc(c3Cl)C#N 62a_100020606499_100010147161 [0,1,0,0,0,0|2,1,0]=4 19 B26R3.36282 CCc1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000033099 [2,0,0,0,0,0|1,0,1]=4 20 B26R3.36282 COc1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000069167 [2,0,0,0,0,0|2,0,0]=4 21 B26R3.36282 CSc1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000718988 [2,0,0,0,0,0|2,0,0]=4 22 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cc3)C=O 271570a_100006155258_100000186029 [2,0,0,0,0,0|2,0,0]=4 23 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cn3)C=O 271570a_100006155258_100000766901 [2,0,0,0,0,0|1,0,0]=3 24 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cn3)CO 271570a_100006155258_100009816760 [2,0,0,0,0,0|1,0,1]=4 25 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(nn3)C=O 271570a_100006155258_100000044651 [2,0,0,0,0,0|2,0,0]=4 26 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3cnc(cn3)C=O 271570a_100006155258_100012001714 [2,0,0,0,0,0|2,0,0]=4 27 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3ncc(cn3)C=O 271570a_100006155258_100000070856 [2,0,0,0,0,0|0,0,0]=2 28 B26R3.36282 N#Cc1cccc(c1)COc2ccc(cc2)c3ncc(cn3)CO 271570a_100006155258_100009855073 [2,0,0,0,0,0|0,0,1]=3 29 B26R3.36282 N#Cc1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000099682 [2,0,0,0,0,0|1,0,1]=4 30 B26R3.183378 Cc1cnc(nc1)c2ccc(cc2)SCc3cccc(c3Cl)C#N 62a_100009820896_100010147161 [2,0,0,0,0,0|0,1,1]=4 31 B26R3.4181108 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)F 271570a_200011263055_100000099681 [2,0,0,0,0,0|2,0,0]=4 32 B26R3.75971 CC(=O)c1cnc(nc1)c2ccc(cc2)OCc3ccccc3F 271570a_200011263061_100000099681 [2,0,0,0,0,0|1,1,0]=4 33 B28R3.967043 CNC(=O)c1ccc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000159860 [1,1,0,0,0,0|2,0,0]=4 34 B28R3.967043 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000150774 [1,1,0,0,0,0|2,0,0]=4 35 B28R3.967043 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3)C#N 34a_100020631646_100000233786 [1,1,0,0,0,0|2,0,0]=4 36 B28R3.967043 COC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3)C#N 7a_100020631646_100000233786 [1,1,0,0,0,0|2,0,0]=4 37 B28R3.967043 COC(=O)c1ccc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000733799 [1,1,0,0,0,0|1,0,0]=3 38 B28R3.967043 COC(=O)c1ccc(nn1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100009816182 [1,1,0,0,0,0|2,0,0]=4 39 B28R3.967043 COC(=O)c1cnc(cn1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100010219404 [1,1,0,0,0,0|2,0,0]=4 40 B28R3.967043 COC(=O)c1cnc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100000729365 [1,1,0,0,0,0|0,0,0]=2 41 B28R3.967043 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cc3)C(=O)CO 271570a_100006155258_100011219529 [1,1,0,0,0,0|2,0,0]=4 42 B28R3.967043 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cn3)C(=O)NN 271570a_100006155258_100000189807 [1,1,0,0,0,0|2,0,0]=4 43 B28R3.967047 CC(=O)c1cnc(c(c1)C)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100009864263 [1,1,0,0,0,0|2,0,0]=4 44 B28R3.967055 Cc1cc(ncc1C(=O)N)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_200134614278 [1,1,0,0,0,0|2,0,0]=4 45 B28R3.967055 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(c(n3)N)C(=O)N 271570a_100006155258_100009875182 [1,1,0,0,0,0|2,0,0]=4 46 B28R3.956206 COC(=O)c1cc(no1)c2ccc(cc2)SCc3cccc(c3Cl)C#N 62a_100010005598_100010147161 [0,1,0,0,1,0|1,1,0]=4 47 B30R3.2912802 COC(=O)c1ccc(cc1)c2ccc(cc2)COCc3cccc(c3Cl)C#N 7a_200102636782_100010147161 [0,1,0,0,0,1|2,0,0]=4 48 B30R3.10528221 CCOC(=O)c1ccc(cc1)c2ccc(cc2)OCc3cccc(c3Cl)C#N 7a_100020636252_100010147161 [0,2,0,0,0,0|2,0,0]=4 49 B26R3.2221643 N#Cc1cccc(c1Cl)CSc2ccc(cc2)c3nc(cs3)C=O 62a_100011393186_100010147161 [1,0,0,0,1,0|1,1,0]=4 50 B26R3.2221643 N#Cc1cccc(c1Cl)CSc2ccc(cc2)c3ncc(s3)C=O 62a_100000692162_100010147161 [1,0,0,0,1,0|1,1,0]=4 51 B26R3.2221643 N#Cc1cccc(c1Cl)CSc2ccc(cc2)n3cc(cn3)C=O 62a_100000741562_100010147161 [1,0,0,0,1,0|1,1,0]=4 52 B26R3.1470947 CC(=O)c1cnc(s1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_200010173910 [1,0,0,0,1,0|2,0,0]=4 53 B26R3.1470947 CC(=O)c1csc(c1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_200012344231 [1,0,0,0,1,0|2,0,0]=4 54 B26R3.1470947 N#Cc1cccc(c1)COc2ccc(cc2)c3cc(cs3)C(=O)N 271570a_100006155258_100000747962 [1,0,0,0,1,0|2,0,0]=4 55 B26R3.1470947 N#Cc1cccc(c1)COc2ccc(cc2)c3nc(co3)C(=O)N 271570a_100006155258_100009981048 [1,0,0,0,1,0|2,0,0]=4 56 B26R3.1470947 N#Cc1cccc(c1)COc2ccc(cc2)c3nc(cs3)C(=O)N 271570a_100006155258_100010247141 [1,0,0,0,1,0|2,0,0]=4 57 B26R3.1470947 N#Cc1cccc(c1)COc2ccc(cc2)c3ncc(s3)C(=O)N 271570a_100006155258_100010220624 [1,0,0,0,1,0|2,0,0]=4 58 B28R3.967046 CC(=O)Nc1ccc(nc1)c2ccc(cc2)OCc3cccc(c3)C#N 271570a_100006155258_100011934715 [1,0,0,0,0,1|2,0,0]=4 59 B28R3.967046 N#Cc1cccc(c1)COc2ccc(cc2)c3ccc(cn3)CC(=O)N 271570a_100006155258_200000071513 [1,0,0,0,0,1|2,0,0]=4 60 B28R3.104951466 CC(=O)c1ccc(nc1)Nc2ccc(cc2)OCc3cccc(c3)C#N 27a_100000751221_100000690552 [1,0,0,0,0,1|2,0,0]=4 61 B28R3.104951466 CC(=O)c1cnc(nc1)Nc2ccc(cc2)OCc3cccc(c3)C#N 27a_100000751221_100000099681 [1,0,0,0,0,1|1,0,0]=3 62 B28R3.104951466 N#Cc1cccc(c1)COc2ccc(cc2)Nc3ccc(cn3)C(=O)N 27a_100000751221_100000162237 [1,0,0,0,0,1|2,0,0]=4