0  B17R2.72834  C=C(C)CNc1ccc2c(c[nH]c2c1)C#N 60e044a11e75b9848b8acf7025ee5bb5 [1,0,0,0,0,0|1,0,2]=4
1  B17R2.72834  CC(C)CNc1ccc2c(c[nH]c2c1)C#N 157403a87ec96e721d8a5a633566a312 [1,0,0,0,0,0|1,0,2]=4
2  B17R2.72834  CN(C)CNc1ccc2c(c[nH]c2c1)C#N dee57018f0b852c2df043bd73f73de77 [1,0,0,0,0,0|2,0,1]=4
3  B19R2.68125  CC(=CCNc1ccc2c(c[nH]c2c1)CC#N)C a685a7974d051aea2c18ccdcbc5fb6a4 [0,0,0,0,0,1|0,0,0]=1
4  B19R2.68125  CS(=O)CCNc1ccc2c(c[nH]c2c1)CC#N 5eec29d44970bfe558f83d22241b3249 [0,0,0,0,0,1|2,0,1]=4
5  B18R2.1820  CC=CCNc1ccc2c(c[nH]c2c1)CC#N 1436e9991f85738d31c03659add5306b [1,1,0,0,0,0|0,0,0]=2
6  B18R2.1820  COCCNc1ccc2c(c[nH]c2c1)CC#N 10b2a60ce09e2ad1a1f6cfdccf5b6e05 [1,1,0,0,0,0|1,0,1]=4
7  B20R2.171054  CC(=CCNc1ccc2c(c[nH]c2c1)CC(=O)N)C 6dd50c6b0d156d5f5b10e589eb9fba45 [0,1,0,0,0,1|0,0,2]=4
8  B20R2.171054  CC(=CCNc1ccc2c(c[nH]c2c1)CN(C)C)C fd2f1a357beed51d98a4b33d65a64acf [0,1,0,0,0,1|2,0,0]=4
9  B20R2.171054  CC(=CCOc1ccc2c(c[nH]c2c1)CC(=O)O)C 7fe85f001845b9217e3511f5f700b6fb [0,1,0,0,0,1|1,0,1]=4
10  B20R3.166795  Cc1cc(c[nH]1)c2ccc3c(c[nH]c3c2)CC#N 001040c6cfd67146cbf8f261675caf74 [0,0,0,1,0,1|0,0,2]=4
11  B20R3.166795  Cc1cc(cs1)c2ccc3c(c[nH]c3c2)CC#N f959767ecccfdd0a526e1136b5a622f6 [0,0,0,1,0,1|0,0,2]=4
12  B20R3.166795  Cc1ccc([nH]1)c2ccc3c(c[nH]c3c2)CC#N 55ea35b2b3c699628802255af1ca966d [0,0,0,1,0,1|1,0,1]=4
13  B20R3.166795  Cc1ccc(o1)c2ccc3c(c[nH]c3c2)CC#N 4b9fd30497eaa43889be7cc5ce7d9400 [0,0,0,1,0,1|1,0,1]=4
14  B20R3.166795  Cc1ccc(s1)c2ccc3c(c[nH]c3c2)CC#N 5a0b019fc1bab47fc0dde9ae70f41129 [0,0,0,1,0,1|1,0,1]=4
15  B20R3.166795  Cc1csc(c1)c2ccc3c(c[nH]c3c2)CC#N 724b3f9922d4f2074d4fb29232298570 [0,0,0,1,0,1|0,0,2]=4
16  B20R3.166795  Cc1nc(co1)c2ccc3c(c[nH]c3c2)CC#N 0773af68bf6c9c0f60acd6ac326b9ef2 [0,0,0,1,0,1|1,0,1]=4
17  B20R3.166795  Cc1nc(cs1)c2ccc3c(c[nH]c3c2)CC#N bf5a9738470be53935170e6ffc4535fd [0,0,0,1,0,1|1,0,1]=4
18  B20R3.166795  Cc1ncc(o1)c2ccc3c(c[nH]c3c2)CC#N a1f27da1598ff342eda69ccf9eed5c65 [0,0,0,1,0,1|1,0,1]=4
19  B20R3.166795  Cc1ncc(s1)c2ccc3c(c[nH]c3c2)CC#N 6a2f7557863083fc7148622cd6eed4cd [0,0,0,1,0,1|1,0,1]=4
20  B20R3.427223  CC(=CCNc1ccc2c3c([nH]c2c1)CCC3)C 9a0f3e4a5ec276d4919161dc4ac024cc [0,0,0,1,0,1|1,0,1]=4
21  B16R1.262  CC(=Cc1cccc(c1)NCCCC#N)C 76827c697755d901774acd1db7c4fcd4 [0,0,1,0,1,0|0,0,2]=4
22  B16R2.42258  CC(C)Nc1ccc2c(c[nH]c2c1)C#N 4219570a93daf00b9cfb538140b73586 [1,0,0,0,1,0|1,0,1]=4
23  B18R1.333  CC(=CCOc1cccc(c1)NCCCC#N)C 695a094bacbebc143e58dbbdc4ccb570 [0,0,1,0,0,1|0,0,2]=4
24  B18R2.120507  C/C(=C/CNc1ccc2c(c[nH]c2c1)C#N)/I b5c7e8946f11785ed84ded5b72191d2b [1,0,0,0,0,1|1,0,0]=3
25  B18R2.120507  C/C(=C\CNc1ccc2c(c[nH]c2c1)C#N)/Cl 27d4c1c8752c975ad75b06a9bf37e5cc [1,0,0,0,0,1|1,0,0]=3
26  B18R2.120507  C=C(C)CCNc1ccc2c(c[nH]c2c1)C#N 6e5d7f79d93bc55f146147046c7398a2 [1,0,0,0,0,1|0,0,2]=4
27  B18R2.120507  CC(=CCNc1ccc2c(c[nH]c2c1)C#N)C 847837573e092f05c112e04cae96e6a7 [1,0,0,0,0,1|0,0,0]=2
28  B18R2.120507  CC(=CCNc1ccc2c(c[nH]c2c1)C#N)Cl e92bf453f568fa64e876ee3a4c46fdc7 [1,0,0,0,0,1|1,0,0]=3
29  B18R2.120507  CC(=CCNc1ccc2c(c[nH]c2c1)C#N)I ca2e069478f0ee2e5236b5081ca1dd31 [1,0,0,0,0,1|1,0,0]=3
30  B18R2.120507  CC(=CCNc1ccc2c(ccn2c1)C#N)C 26fe010692908ee72cad653af22164eb [1,0,0,0,0,1|2,0,0]=4
31  B18R2.120507  CC(=CCNc1ccc2c(cnn2c1)C#N)C 9e84765101288d11866fe68a5fe6e514 [1,0,0,0,0,1|1,0,1]=4
32  B18R2.120507  CC(=CCNc1ccc2c(coc2c1)CO)C e355f447ee8c0ac8fb752fb3d93ccb28 [1,0,0,0,0,1|2,0,0]=4
33  B18R2.120507  CC(=CCOc1ccc2c(c[nH]c2c1)C=O)C 82af537d65109a021ea620df15a0a31b [1,0,0,0,0,1|1,0,1]=4
34  B18R2.120507  CC(=O)CCNc1ccc2c(c[nH]c2c1)C#N 3eb9cdddd87ada632b7b62742887dbeb [1,0,0,0,0,1|1,0,1]=4
35  B18R2.120507  CC(=O)OCNc1ccc2c(c[nH]c2c1)C#N fb8ba165dfea308f99d9bd33436ade34 [1,0,0,0,0,1|2,0,0]=4
36  B18R2.120507  CC(C)CCNc1ccc2c(c[nH]c2c1)C#N ef234881e741f427678e0f017e9ccf9b [1,0,0,0,0,1|0,0,2]=4
37  B18R2.120507  CC(C)OCNc1ccc2c(c[nH]c2c1)C#N edec0fbf81c40f133a8a094426b39b9e [1,0,0,0,0,1|1,0,1]=4
38  B18R2.120507  CN(C)CCNc1ccc2c(c[nH]c2c1)C#N eb658098918388a00cddc1e21ada18e9 [1,0,0,0,0,1|1,0,1]=4
39  B18R2.120507  N#Cc1c[nH]c2c1ccc(c2)NCC=C(Cl)Cl 146c87ad55e2a019f71da9288121ff93 [1,0,0,0,0,1|2,0,0]=4
40  B20R2.103430  N#CCc1c[nH]c2c1ccc(c2)NC/C=C/C(=O)O 941d621c6d43c3c87598f10742068c49 [0,0,0,0,0,2|2,0,0]=4
41  B20R2.103430  N#CCc1c[nH]c2c1ccc(c2)NCC=CC(=O)O a641e36cbbd3c9bd2ab9c1deea64054b [0,0,0,0,0,2|2,0,0]=4