0  B22R3.1075  Cc1nc(c[nH]c1=O)SCc2cccc3c2cccc3 62a_100010363809_100000188474 [1,0,0,0,0,0|3,0,0]=4
1  B22R3.1075  Cc1nc(c[nH]c1=O)SCc2cccc3c2cccc3 62a_100011261445_100010363809 [1,0,0,0,0,0|3,0,0]=4
2  B22R3.1075  O=c1[nH]cc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100009814561 [1,0,0,0,0,0|3,0,0]=4
3  B22R3.32389  O=c1[nH]nc(c(=O)[nH]1)NCc2cccc3c2cccc3 27a_100000753325_100000181694 [1,0,0,0,0,0|3,0,0]=4
4  B22R3.32389  O=c1[nH]nc(c(=O)[nH]1)SCc2cccc3c2cccc3 62a_100011261445_100000181694 [1,0,0,0,0,0|3,0,0]=4
5  B22R3.718706  Cc1c[nH]c(=O)c(n1)SCc2cccc3c2cccc3 62a_100009858157_100000188474 [1,0,0,0,0,0|3,0,0]=4
6  B22R3.718706  Cc1c[nH]c(=O)c(n1)SCc2cccc3c2cccc3 62a_100011261445_100009858157 [1,0,0,0,0,0|3,0,0]=4
7  B22R2.34758728  C=C(C)C(=O)CC(=O)NCCc1cccc2c1cccc2 1458a_100000185857_100000742146 [0,0,1,0,0,0|3,0,0]=4
8  B22R2.34758728  C[C@@H](O)C(=O)CC(=O)NCCc1cccc2c1cccc2 1458a_100000717761_100000742146 [0,0,1,0,0,0|2,0,1]=4
9  B22R2.34758728  C[C@H](O)C(=O)CC(=O)NCCc1cccc2c1cccc2 1458a_217856618621_100000742146 [0,0,1,0,0,0|2,0,1]=4
10  B22R2.34758728  O=C(CC(=O)C(O)O)NCCc1cccc2c1cccc2 1458a_100000233687_100000742146 [0,0,1,0,0,0|2,0,1]=4
11  B21R2.5241170  C=CC(=O)CC(=O)NCCc1cccc2c1cccc2 1458a_100000185746_100000742146 [1,0,1,0,0,0|2,0,0]=4
12  B21R2.5241170  O=C(CO)CC(=O)NCCc1cccc2c1cccc2 1458a_100000210174_100000742146 [1,0,1,0,0,0|1,0,1]=4
13  B21R3.525  O=c1[nH]ccnc1SCc2cccc3c2cccc3 62a_100011261445_100000763361 [2,0,0,0,0,0|2,0,0]=4
14  B25R3.3727272  Cc1cn(c(=O)[nH]c1=O)CC(=O)Cc2cccc3c2cccc3 1458a_100011215684_100000188474 [0,1,0,0,0,1|2,0,0]=4
15  B25R3.3727272  O=C(Cc1cccc2c1cccc2)Cn3cc(c(=O)[nH]c3=O)F 1458a_100011877732_100000188474 [0,1,0,0,0,1|2,0,0]=4
16  B23R2.59114527  C=C(C)C(=O)NCC(=O)NCCc1cccc2c1cccc2 11a_100000751862_100000076187 [0,0,1,0,0,1|2,0,0]=4
17  B23R2.59114527  C=C(C)C(=O)NCC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_100000076187 [0,0,1,0,0,1|2,0,0]=4
18  B23R2.59114527  C=C(C)C(=O)NCC(=O)NCCc1cccc2c1cccc2 527a_100000751862_100000076187 [0,0,1,0,0,1|2,0,0]=4
19  B23R2.59114527  NC(=O)C(=O)NNC(=O)NCCc1cccc2c1cccc2 273464a_100000751862_100000211141 [0,0,1,0,0,1|0,0,2]=4
20  B23R3.17779  O=c1[nH]nc(c(=O)[nH]1)NCCc2cccc3c2cccc3 27a_100000751862_100000181694 [1,0,0,0,0,1|2,0,0]=4
21  B23R3.17779  O=c1[nH]nc(c(=O)[nH]1)SCCc2cccc3c2cccc3 62a_100011290781_100000181694 [1,0,0,0,0,1|2,0,0]=4
22  B23R3.824047  Cc1c[nH]c(=O)c(n1)SCCc2cccc3c2cccc3 62a_100009858157_100011290781 [1,0,0,0,0,1|2,0,0]=4
23  B23R3.824047  Cc1c[nH]c(=O)c(n1)SCCc2cccc3c2cccc3 62a_100011290781_100009858157 [1,0,0,0,0,1|2,0,0]=4