COVID Moonshot Sprint 3 Analysis

Last updated: 2020-09-07T22:25:04.863217+00:00

Progress

122.80%

Summary

Free energy distribution

relative free energy distribution cumulative free energy distribution

Raw analysis

Structures

Top 20 Compounds

Rank RUN Molecule Protein ΔΔG / kcal mol-1 Work distributions Convergence
1 RUN680 BENZO_8_1 molecule [sdf] [pdb] −4.36 ± 0.09 work distributions [pdf] convergence plot [pdf]
2 RUN682 BENZO_13_1 molecule [sdf] [pdb] −3.55 ± 0.09 work distributions [pdf] convergence plot [pdf]
3 RUN720 BENZO_46_1 molecule [sdf] [pdb] −3.35 ± 0.10 work distributions [pdf] convergence plot [pdf]
4 RUN1182 BENZO_345_1 molecule [sdf] [pdb] −3.29 ± 0.09 work distributions [pdf] convergence plot [pdf]
5 RUN772 BENZO_98_1 molecule [sdf] [pdb] −2.9 ± 0.1 work distributions [pdf] convergence plot [pdf]
6 RUN873 BENZO_184_1 molecule [sdf] [pdb] −2.93 ± 0.07 work distributions [pdf] convergence plot [pdf]
7 RUN743 BENZO_70_1 molecule [sdf] [pdb] −2.86 ± 0.10 work distributions [pdf] convergence plot [pdf]
8 RUN1191 BENZO_350_1 molecule [sdf] [pdb] −2.69 ± 0.10 work distributions [pdf] convergence plot [pdf]
9 RUN867 BENZO_179_1 molecule [sdf] [pdb] −2.67 ± 0.09 work distributions [pdf] convergence plot [pdf]
10 RUN871 BENZO_183_1 molecule [sdf] [pdb] −2.61 ± 0.10 work distributions [pdf] convergence plot [pdf]
11 RUN866 BENZO_180_2 molecule [sdf] [pdb] −2.54 ± 0.08 work distributions [pdf] convergence plot [pdf]
12 RUN1003 BENZO_248_2 molecule [sdf] [pdb] −2.5 ± 0.1 work distributions [pdf] convergence plot [pdf]
13 RUN1038 BENZO_266_1 molecule [sdf] [pdb] −2.4 ± 0.1 work distributions [pdf] convergence plot [pdf]
14 RUN877 BENZO_187_1 molecule [sdf] [pdb] −2.34 ± 0.09 work distributions [pdf] convergence plot [pdf]
15 RUN701 BENZO_27_1 molecule [sdf] [pdb] −2.2 ± 0.1 work distributions [pdf] convergence plot [pdf]
16 RUN1030 BENZO_264_2 molecule [sdf] [pdb] −2.13 ± 0.08 work distributions [pdf] convergence plot [pdf]
17 RUN700 BENZO_26_1 molecule [sdf] [pdb] −2.1 ± 0.1 work distributions [pdf] convergence plot [pdf]
18 RUN673 BENZO_3_1 molecule [sdf] [pdb] −2.0 ± 0.1 work distributions [pdf] convergence plot [pdf]
19 RUN768 BENZO_94_1 molecule [sdf] [pdb] −2.0 ± 0.1 work distributions [pdf] convergence plot [pdf]
20 RUN1195 BENZO_354_1 molecule [sdf] [pdb] −1.92 ± 0.10 work distributions [pdf] convergence plot [pdf]

All Compounds

Rank RUN Molecule Protein ΔΔG / kcal mol-1 Work distributions Convergence
1 RUN680 BENZO_8_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −4.36 ± 0.09 works [png] [pdf] convergence [png] [pdf]
2 RUN682 BENZO_13_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −3.55 ± 0.09 works [png] [pdf] convergence [png] [pdf]
3 RUN720 BENZO_46_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] −3.35 ± 0.10 works [png] [pdf] convergence [png] [pdf]
4 RUN1182 BENZO_345_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] −3.29 ± 0.09 works [png] [pdf] convergence [png] [pdf]
5 RUN772 BENZO_98_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
6 RUN873 BENZO_184_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −2.93 ± 0.07 works [png] [pdf] convergence [png] [pdf]
7 RUN743 BENZO_70_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −2.86 ± 0.10 works [png] [pdf] convergence [png] [pdf]
8 RUN1191 BENZO_350_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −2.69 ± 0.10 works [png] [pdf] convergence [png] [pdf]
9 RUN867 BENZO_179_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −2.67 ± 0.09 works [png] [pdf] convergence [png] [pdf]
10 RUN871 BENZO_183_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −2.61 ± 0.10 works [png] [pdf] convergence [png] [pdf]
11 RUN866 BENZO_180_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −2.54 ± 0.08 works [png] [pdf] convergence [png] [pdf]
12 RUN1003 BENZO_248_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
13 RUN1038 BENZO_266_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
14 RUN877 BENZO_187_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −2.34 ± 0.09 works [png] [pdf] convergence [png] [pdf]
15 RUN701 BENZO_27_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
16 RUN1030 BENZO_264_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −2.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
17 RUN700 BENZO_26_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
18 RUN673 BENZO_3_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
19 RUN768 BENZO_94_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
20 RUN1195 BENZO_354_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.92 ± 0.10 works [png] [pdf] convergence [png] [pdf]
21 RUN882 BENZO_188_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.88 ± 0.09 works [png] [pdf] convergence [png] [pdf]
22 RUN837 BENZO_164_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
23 RUN744 BENZO_73_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −1.87 ± 0.09 works [png] [pdf] convergence [png] [pdf]
24 RUN872 BENZO_185_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.85 ± 0.07 works [png] [pdf] convergence [png] [pdf]
25 RUN1201 BENZO_360_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.80 ± 0.08 works [png] [pdf] convergence [png] [pdf]
26 RUN1034 BENZO_262_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
27 RUN1334 BENZO_495_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] −1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
28 RUN1176 BENZO_338_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.76 ± 0.10 works [png] [pdf] convergence [png] [pdf]
29 RUN697 BENZO_24_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.69 ± 0.09 works [png] [pdf] convergence [png] [pdf]
30 RUN518 BENZO_350_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.69 ± 0.08 works [png] [pdf] convergence [png] [pdf]
31 RUN679 BENZO_6_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.68 ± 0.06 works [png] [pdf] convergence [png] [pdf]
32 RUN1037 BENZO_267_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
33 RUN889 BENZO_192_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.66 ± 0.09 works [png] [pdf] convergence [png] [pdf]
34 RUN829 BENZO_156_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
35 RUN1036 BENZO_267_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −1.59 ± 0.09 works [png] [pdf] convergence [png] [pdf]
36 RUN503 BENZO_338_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.59 ± 0.07 works [png] [pdf] convergence [png] [pdf]
37 RUN860 BENZO_178_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −1.59 ± 0.10 works [png] [pdf] convergence [png] [pdf]
38 RUN1337 BENZO_496_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
39 RUN23 BENZO_22_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.53 ± 0.10 works [png] [pdf] convergence [png] [pdf]
40 RUN1177 BENZO_334_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
41 RUN523 BENZO_354_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.51 ± 0.08 works [png] [pdf] convergence [png] [pdf]
42 RUN1050 BENZO_272_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.51 ± 0.10 works [png] [pdf] convergence [png] [pdf]
43 RUN1183 BENZO_344_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −1.50 ± 0.08 works [png] [pdf] convergence [png] [pdf]
44 RUN1328 BENZO_487_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] −1.5 ± 0.2 works [png] [pdf] convergence [png] [pdf]
45 RUN688 BENZO_17_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.49 ± 0.09 works [png] [pdf] convergence [png] [pdf]
46 RUN742 BENZO_71_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
47 RUN1173 BENZO_336_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.43 ± 0.09 works [png] [pdf] convergence [png] [pdf]
48 RUN1139 BENZO_316_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
49 RUN1042 BENZO_268_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −1.43 ± 0.08 works [png] [pdf] convergence [png] [pdf]
50 RUN972 BENZO_237_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −1.39 ± 0.10 works [png] [pdf] convergence [png] [pdf]
51 RUN1053 BENZO_274_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
52 RUN530 BENZO_362_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.35 ± 0.09 works [png] [pdf] convergence [png] [pdf]
53 RUN748 BENZO_77_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] −1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
54 RUN1243 BENZO_404_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] −1.29 ± 0.09 works [png] [pdf] convergence [png] [pdf]
55 RUN1204 BENZO_362_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
56 RUN968 BENZO_232_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
57 RUN853 BENZO_174_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.24 ± 0.08 works [png] [pdf] convergence [png] [pdf]
58 RUN880 BENZO_189_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −1.16 ± 0.09 works [png] [pdf] convergence [png] [pdf]
59 RUN514 BENZO_346_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −1.15 ± 0.09 works [png] [pdf] convergence [png] [pdf]
60 RUN1162 BENZO_328_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
61 RUN19 BENZO_18_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.04 ± 0.08 works [png] [pdf] convergence [png] [pdf]
62 RUN1169 BENZO_333_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
63 RUN886 BENZO_190_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
64 RUN1235 BENZO_394_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
65 RUN1274 BENZO_435_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
66 RUN1178 BENZO_334_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
67 RUN854 BENZO_177_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −1.01 ± 0.09 works [png] [pdf] convergence [png] [pdf]
68 RUN960 BENZO_226_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
69 RUN1225 BENZO_384_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.98 ± 0.09 works [png] [pdf] convergence [png] [pdf]
70 RUN1263 BENZO_422_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
71 RUN672 BENZO_1_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
72 RUN1175 BENZO_335_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] −0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
73 RUN908 BENZO_202_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] −0.90 ± 0.07 works [png] [pdf] convergence [png] [pdf]
74 RUN731 BENZO_58_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
75 RUN779 BENZO_109_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] −0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
76 RUN1184 BENZO_342_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.85 ± 0.07 works [png] [pdf] convergence [png] [pdf]
77 RUN1331 BENZO_490_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
78 RUN15 BENZO_10_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.81 ± 0.08 works [png] [pdf] convergence [png] [pdf]
79 RUN932 BENZO_215_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] −0.80 ± 0.10 works [png] [pdf] convergence [png] [pdf]
80 RUN26 BENZO_24_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.79 ± 0.07 works [png] [pdf] convergence [png] [pdf]
81 RUN13 BENZO_14_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.78 ± 0.08 works [png] [pdf] convergence [png] [pdf]
82 RUN1200 BENZO_361_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] −0.77 ± 0.09 works [png] [pdf] convergence [png] [pdf]
83 RUN695 BENZO_22_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
84 RUN368 BENZO_268_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −0.75 ± 0.09 works [png] [pdf] convergence [png] [pdf]
85 RUN690 BENZO_16_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.74 ± 0.09 works [png] [pdf] convergence [png] [pdf]
86 RUN1197 BENZO_356_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.73 ± 0.09 works [png] [pdf] convergence [png] [pdf]
87 RUN5 BENZO_2_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.73 ± 0.06 works [png] [pdf] convergence [png] [pdf]
88 RUN1280 BENZO_441_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] −0.72 ± 0.09 works [png] [pdf] convergence [png] [pdf]
89 RUN980 BENZO_238_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −0.72 ± 0.09 works [png] [pdf] convergence [png] [pdf]
90 RUN878 BENZO_187_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.71 ± 0.09 works [png] [pdf] convergence [png] [pdf]
91 RUN1172 BENZO_337_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.69 ± 0.10 works [png] [pdf] convergence [png] [pdf]
92 RUN1335 BENZO_494_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
93 RUN885 BENZO_191_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −0.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
94 RUN683 BENZO_12_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.65 ± 0.08 works [png] [pdf] convergence [png] [pdf]
95 RUN671 BENZO_502_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
96 RUN693 BENZO_20_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.63 ± 0.09 works [png] [pdf] convergence [png] [pdf]
97 RUN676 BENZO_2_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
98 RUN1341 BENZO_500_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
99 RUN521 BENZO_352_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.56 ± 0.06 works [png] [pdf] convergence [png] [pdf]
100 RUN511 BENZO_344_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.54 ± 0.07 works [png] [pdf] convergence [png] [pdf]
101 RUN529 BENZO_360_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.52 ± 0.07 works [png] [pdf] convergence [png] [pdf]
102 RUN9 BENZO_8_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.51 ± 0.08 works [png] [pdf] convergence [png] [pdf]
103 RUN684 BENZO_15_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
104 RUN29 BENZO_27_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
105 RUN1171 BENZO_332_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.48 ± 0.10 works [png] [pdf] convergence [png] [pdf]
106 RUN830 BENZO_159_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
107 RUN1126 BENZO_310_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
108 RUN931 BENZO_212_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] −0.46 ± 0.08 works [png] [pdf] convergence [png] [pdf]
109 RUN197 BENZO_182_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.46 ± 0.08 works [png] [pdf] convergence [png] [pdf]
110 RUN951 BENZO_224_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
111 RUN1086 BENZO_292_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
112 RUN1323 BENZO_484_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
113 RUN525 BENZO_356_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.42 ± 0.08 works [png] [pdf] convergence [png] [pdf]
114 RUN1121 BENZO_308_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
115 RUN375 BENZO_270_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −0.41 ± 0.08 works [png] [pdf] convergence [png] [pdf]
116 RUN656 BENZO_486_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
117 RUN1194 BENZO_355_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
118 RUN1339 BENZO_498_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
119 RUN603 BENZO_434_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] −0.37 ± 0.09 works [png] [pdf] convergence [png] [pdf]
120 RUN21 BENZO_20_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.36 ± 0.08 works [png] [pdf] convergence [png] [pdf]
121 RUN919 BENZO_208_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] −0.32 ± 0.08 works [png] [pdf] convergence [png] [pdf]
122 RUN528 BENZO_358_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
123 RUN759 BENZO_86_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] −0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
124 RUN689 BENZO_19_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
125 RUN517 BENZO_348_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.30 ± 0.06 works [png] [pdf] convergence [png] [pdf]
126 RUN1199 BENZO_358_1 c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
127 RUN1245 BENZO_402_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.27 ± 0.10 works [png] [pdf] convergence [png] [pdf]
128 RUN1224 BENZO_385_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] −0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
129 RUN663 BENZO_494_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.25 ± 0.09 works [png] [pdf] convergence [png] [pdf]
130 RUN1251 BENZO_410_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] −0.24 ± 0.09 works [png] [pdf] convergence [png] [pdf]
131 RUN305 BENZO_234_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
132 RUN990 BENZO_243_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] −0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
133 RUN1192 BENZO_353_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.21 ± 0.09 works [png] [pdf] convergence [png] [pdf]
134 RUN710 BENZO_39_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] −0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
135 RUN816 BENZO_142_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
136 RUN24 BENZO_25_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −0.20 ± 0.08 works [png] [pdf] convergence [png] [pdf]
137 RUN516 BENZO_349_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.20 ± 0.07 works [png] [pdf] convergence [png] [pdf]
138 RUN777 BENZO_104_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
139 RUN600 BENZO_430_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.18 ± 0.10 works [png] [pdf] convergence [png] [pdf]
140 RUN1118 BENZO_306_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
141 RUN900 BENZO_198_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] −0.14 ± 0.10 works [png] [pdf] convergence [png] [pdf]
142 RUN17 BENZO_16_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.14 ± 0.07 works [png] [pdf] convergence [png] [pdf]
143 RUN646 BENZO_478_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.14 ± 0.08 works [png] [pdf] convergence [png] [pdf]
144 RUN1006 BENZO_251_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] −0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
145 RUN1329 BENZO_486_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
146 RUN207 BENZO_186_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.11 ± 0.08 works [png] [pdf] convergence [png] [pdf]
147 RUN1134 BENZO_314_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.10 ± 0.09 works [png] [pdf] convergence [png] [pdf]
148 RUN1260 BENZO_418_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] −0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
149 RUN1193 BENZO_352_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.06 ± 0.07 works [png] [pdf] convergence [png] [pdf]
150 RUN834 BENZO_165_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] −0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
151 RUN741 BENZO_66_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
152 RUN607 BENZO_438_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] −0.02 ± 0.08 works [png] [pdf] convergence [png] [pdf]
153 RUN696 BENZO_25_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] −0.02 ± 0.09 works [png] [pdf] convergence [png] [pdf]
154 RUN520 BENZO_353_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] −0.02 ± 0.07 works [png] [pdf] convergence [png] [pdf]
155 RUN487 BENZO_326_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] −0.02 ± 0.09 works [png] [pdf] convergence [png] [pdf]
156 RUN711 BENZO_38_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.01 ± 0.10 works [png] [pdf] convergence [png] [pdf]
157 RUN667 BENZO_498_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] −0.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
158 RUN298 BENZO_232_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] −0.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
159 RUN1181 BENZO_340_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.04 ± 0.04 works [png] [pdf] convergence [png] [pdf]
160 RUN1273 BENZO_430_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
161 RUN914 BENZO_205_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 0.05 ± 0.09 works [png] [pdf] convergence [png] [pdf]
162 RUN1196 BENZO_357_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 0.06 ± 0.09 works [png] [pdf] convergence [png] [pdf]
163 RUN1223 BENZO_382_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.06 ± 0.09 works [png] [pdf] convergence [png] [pdf]
164 RUN11 BENZO_12_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.08 ± 0.07 works [png] [pdf] convergence [png] [pdf]
165 RUN501 BENZO_336_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.08 ± 0.04 works [png] [pdf] convergence [png] [pdf]
166 RUN10 BENZO_13_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.09 ± 0.07 works [png] [pdf] convergence [png] [pdf]
167 RUN1259 BENZO_420_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.10 ± 0.10 works [png] [pdf] convergence [png] [pdf]
168 RUN929 BENZO_213_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
169 RUN1230 BENZO_390_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
170 RUN658 BENZO_490_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.15 ± 0.09 works [png] [pdf] convergence [png] [pdf]
171 RUN1254 BENZO_415_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 0.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
172 RUN1059 BENZO_276_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.15 ± 0.09 works [png] [pdf] convergence [png] [pdf]
173 RUN72 BENZO_72_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.16 ± 0.08 works [png] [pdf] convergence [png] [pdf]
174 RUN1227 BENZO_386_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
175 RUN1025 BENZO_260_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.17 ± 0.10 works [png] [pdf] convergence [png] [pdf]
176 RUN977 BENZO_235_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
177 RUN675 BENZO_0_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.20 ± 0.10 works [png] [pdf] convergence [png] [pdf]
178 RUN290 BENZO_228_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
179 RUN55 BENZO_56_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.21 ± 0.07 works [png] [pdf] convergence [png] [pdf]
180 RUN3 BENZO_0_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.24 ± 0.05 works [png] [pdf] convergence [png] [pdf]
181 RUN512 BENZO_342_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
182 RUN313 BENZO_240_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.28 ± 0.09 works [png] [pdf] convergence [png] [pdf]
183 RUN180 BENZO_174_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.28 ± 0.09 works [png] [pdf] convergence [png] [pdf]
184 RUN1166 BENZO_331_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
185 RUN935 BENZO_214_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.30 ± 0.09 works [png] [pdf] convergence [png] [pdf]
186 RUN1322 BENZO_485_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 0.30 ± 0.10 works [png] [pdf] convergence [png] [pdf]
187 RUN1143 BENZO_320_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
188 RUN591 BENZO_422_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.32 ± 0.07 works [png] [pdf] convergence [png] [pdf]
189 RUN876 BENZO_186_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.32 ± 0.09 works [png] [pdf] convergence [png] [pdf]
190 RUN852 BENZO_174_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.34 ± 0.07 works [png] [pdf] convergence [png] [pdf]
191 RUN1325 BENZO_482_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.34 ± 0.08 works [png] [pdf] convergence [png] [pdf]
192 RUN1035 BENZO_262_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
193 RUN738 BENZO_69_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
194 RUN320 BENZO_245_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
195 RUN1333 BENZO_492_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.39 ± 0.10 works [png] [pdf] convergence [png] [pdf]
196 RUN318 BENZO_243_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
197 RUN616 BENZO_446_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.42 ± 0.10 works [png] [pdf] convergence [png] [pdf]
198 RUN191 BENZO_180_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.42 ± 0.06 works [png] [pdf] convergence [png] [pdf]
199 RUN18 BENZO_19_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.44 ± 0.10 works [png] [pdf] convergence [png] [pdf]
200 RUN475 BENZO_318_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
201 RUN500 BENZO_337_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.47 ± 0.06 works [png] [pdf] convergence [png] [pdf]
202 RUN782 BENZO_111_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
203 RUN159 BENZO_158_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
204 RUN294 BENZO_231_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
205 RUN358 BENZO_264_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.51 ± 0.08 works [png] [pdf] convergence [png] [pdf]
206 RUN879 BENZO_186_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.51 ± 0.09 works [png] [pdf] convergence [png] [pdf]
207 RUN1094 BENZO_295_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
208 RUN386 BENZO_276_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.52 ± 0.09 works [png] [pdf] convergence [png] [pdf]
209 RUN1267 BENZO_426_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.53 ± 0.07 works [png] [pdf] convergence [png] [pdf]
210 RUN610 BENZO_442_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 0.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
211 RUN678 BENZO_4_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.55 ± 0.05 works [png] [pdf] convergence [png] [pdf]
212 RUN1213 BENZO_370_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.55 ± 0.07 works [png] [pdf] convergence [png] [pdf]
213 RUN685 BENZO_14_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
214 RUN1284 BENZO_442_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
215 RUN1007 BENZO_250_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.60 ± 0.10 works [png] [pdf] convergence [png] [pdf]
216 RUN519 BENZO_351_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.60 ± 0.09 works [png] [pdf] convergence [png] [pdf]
217 RUN1310 BENZO_473_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 0.61 ± 0.10 works [png] [pdf] convergence [png] [pdf]
218 RUN739 BENZO_68_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.61 ± 0.09 works [png] [pdf] convergence [png] [pdf]
219 RUN43 BENZO_42_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.62 ± 0.08 works [png] [pdf] convergence [png] [pdf]
220 RUN988 BENZO_242_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
221 RUN1226 BENZO_387_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
222 RUN1115 BENZO_304_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
223 RUN728 BENZO_54_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 0.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
224 RUN0 BENZO_1_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.67 ± 0.06 works [png] [pdf] convergence [png] [pdf]
225 RUN1047 BENZO_270_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
226 RUN942 BENZO_221_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 0.69 ± 0.09 works [png] [pdf] convergence [png] [pdf]
227 RUN1270 BENZO_432_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.69 ± 0.09 works [png] [pdf] convergence [png] [pdf]
228 RUN1205 BENZO_364_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.70 ± 0.09 works [png] [pdf] convergence [png] [pdf]
229 RUN317 BENZO_242_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.70 ± 0.10 works [png] [pdf] convergence [png] [pdf]
230 RUN986 BENZO_240_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
231 RUN172 BENZO_170_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.71 ± 0.07 works [png] [pdf] convergence [png] [pdf]
232 RUN202 BENZO_184_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.71 ± 0.06 works [png] [pdf] convergence [png] [pdf]
233 RUN75 BENZO_74_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.72 ± 0.09 works [png] [pdf] convergence [png] [pdf]
234 RUN6 BENZO_6_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
235 RUN846 BENZO_171_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
236 RUN204 BENZO_186_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.77 ± 0.08 works [png] [pdf] convergence [png] [pdf]
237 RUN203 BENZO_184_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.78 ± 0.06 works [png] [pdf] convergence [png] [pdf]
238 RUN1044 BENZO_271_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
239 RUN803 BENZO_131_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 0.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
240 RUN189 BENZO_178_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.80 ± 0.08 works [png] [pdf] convergence [png] [pdf]
241 RUN595 BENZO_428_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.80 ± 0.08 works [png] [pdf] convergence [png] [pdf]
242 RUN1268 BENZO_429_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 0.81 ± 0.10 works [png] [pdf] convergence [png] [pdf]
243 RUN1249 BENZO_408_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 0.83 ± 0.09 works [png] [pdf] convergence [png] [pdf]
244 RUN1332 BENZO_493_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.84 ± 0.10 works [png] [pdf] convergence [png] [pdf]
245 RUN1340 BENZO_501_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 0.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
246 RUN550 BENZO_382_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.85 ± 0.08 works [png] [pdf] convergence [png] [pdf]
247 RUN304 BENZO_235_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
248 RUN71 BENZO_70_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.86 ± 0.10 works [png] [pdf] convergence [png] [pdf]
249 RUN1179 BENZO_335_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
250 RUN200 BENZO_185_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.87 ± 0.07 works [png] [pdf] convergence [png] [pdf]
251 RUN424 BENZO_296_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 0.87 ± 0.08 works [png] [pdf] convergence [png] [pdf]
252 RUN524 BENZO_357_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 0.88 ± 0.09 works [png] [pdf] convergence [png] [pdf]
253 RUN950 BENZO_225_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
254 RUN859 BENZO_176_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.90 ± 0.09 works [png] [pdf] convergence [png] [pdf]
255 RUN1190 BENZO_351_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
256 RUN198 BENZO_183_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.91 ± 0.08 works [png] [pdf] convergence [png] [pdf]
257 RUN522 BENZO_355_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.91 ± 0.09 works [png] [pdf] convergence [png] [pdf]
258 RUN338 BENZO_252_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.91 ± 0.07 works [png] [pdf] convergence [png] [pdf]
259 RUN1343 BENZO_503_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
260 RUN868 BENZO_182_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.92 ± 0.09 works [png] [pdf] convergence [png] [pdf]
261 RUN483 BENZO_325_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 0.92 ± 0.09 works [png] [pdf] convergence [png] [pdf]
262 RUN1180 BENZO_341_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 0.93 ± 0.06 works [png] [pdf] convergence [png] [pdf]
263 RUN326 BENZO_246_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 0.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
264 RUN186 BENZO_176_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.95 ± 0.07 works [png] [pdf] convergence [png] [pdf]
265 RUN651 BENZO_484_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 0.95 ± 0.09 works [png] [pdf] convergence [png] [pdf]
266 RUN306 BENZO_234_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
267 RUN962 BENZO_228_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.96 ± 0.07 works [png] [pdf] convergence [png] [pdf]
268 RUN535 BENZO_366_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.96 ± 0.07 works [png] [pdf] convergence [png] [pdf]
269 RUN1020 BENZO_258_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.96 ± 0.08 works [png] [pdf] convergence [png] [pdf]
270 RUN884 BENZO_190_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 0.97 ± 0.08 works [png] [pdf] convergence [png] [pdf]
271 RUN288 BENZO_226_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 0.97 ± 0.09 works [png] [pdf] convergence [png] [pdf]
272 RUN1087 BENZO_293_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
273 RUN546 BENZO_378_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 0.99 ± 0.08 works [png] [pdf] convergence [png] [pdf]
274 RUN367 BENZO_266_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 0.99 ± 0.09 works [png] [pdf] convergence [png] [pdf]
275 RUN699 BENZO_28_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.00 ± 0.10 works [png] [pdf] convergence [png] [pdf]
276 RUN12 BENZO_15_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.00 ± 0.09 works [png] [pdf] convergence [png] [pdf]
277 RUN1248 BENZO_406_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.00 ± 0.10 works [png] [pdf] convergence [png] [pdf]
278 RUN780 BENZO_106_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
279 RUN987 BENZO_240_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.01 ± 0.09 works [png] [pdf] convergence [png] [pdf]
280 RUN1149 BENZO_323_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
281 RUN732 BENZO_61_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.02 ± 0.08 works [png] [pdf] convergence [png] [pdf]
282 RUN661 BENZO_492_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.03 ± 0.07 works [png] [pdf] convergence [png] [pdf]
283 RUN495 BENZO_332_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.04 ± 0.09 works [png] [pdf] convergence [png] [pdf]
284 RUN1164 BENZO_330_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
285 RUN286 BENZO_229_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
286 RUN653 BENZO_482_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
287 RUN490 BENZO_328_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.07 ± 0.10 works [png] [pdf] convergence [png] [pdf]
288 RUN312 BENZO_240_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.09 ± 0.08 works [png] [pdf] convergence [png] [pdf]
289 RUN210 BENZO_188_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.09 ± 0.09 works [png] [pdf] convergence [png] [pdf]
290 RUN391 BENZO_280_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.09 ± 0.09 works [png] [pdf] convergence [png] [pdf]
291 RUN280 BENZO_224_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.10 ± 0.07 works [png] [pdf] convergence [png] [pdf]
292 RUN845 BENZO_170_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
293 RUN1061 BENZO_281_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
294 RUN532 BENZO_363_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
295 RUN1 BENZO_5_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.12 ± 0.09 works [png] [pdf] convergence [png] [pdf]
296 RUN281 BENZO_224_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.12 ± 0.08 works [png] [pdf] convergence [png] [pdf]
297 RUN196 BENZO_182_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
298 RUN99 BENZO_98_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.13 ± 0.10 works [png] [pdf] convergence [png] [pdf]
299 RUN1221 BENZO_380_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
300 RUN279 BENZO_225_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.14 ± 0.09 works [png] [pdf] convergence [png] [pdf]
301 RUN1217 BENZO_374_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
302 RUN825 BENZO_150_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
303 RUN613 BENZO_444_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.16 ± 0.08 works [png] [pdf] convergence [png] [pdf]
304 RUN82 BENZO_82_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
305 RUN311 BENZO_239_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.18 ± 0.09 works [png] [pdf] convergence [png] [pdf]
306 RUN14 BENZO_11_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
307 RUN195 BENZO_180_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.18 ± 0.07 works [png] [pdf] convergence [png] [pdf]
308 RUN515 BENZO_347_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
309 RUN192 BENZO_179_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.18 ± 0.10 works [png] [pdf] convergence [png] [pdf]
310 RUN559 BENZO_390_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.19 ± 0.09 works [png] [pdf] convergence [png] [pdf]
311 RUN383 BENZO_276_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.20 ± 0.09 works [png] [pdf] convergence [png] [pdf]
312 RUN466 BENZO_317_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
313 RUN564 BENZO_397_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.20 ± 0.09 works [png] [pdf] convergence [png] [pdf]
314 RUN379 BENZO_272_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.20 ± 0.09 works [png] [pdf] convergence [png] [pdf]
315 RUN1321 BENZO_480_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.20 ± 0.07 works [png] [pdf] convergence [png] [pdf]
316 RUN828 BENZO_154_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
317 RUN103 BENZO_102_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.21 ± 0.09 works [png] [pdf] convergence [png] [pdf]
318 RUN1242 BENZO_405_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.21 ± 0.09 works [png] [pdf] convergence [png] [pdf]
319 RUN665 BENZO_496_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.21 ± 0.10 works [png] [pdf] convergence [png] [pdf]
320 RUN1233 BENZO_392_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.21 ± 0.09 works [png] [pdf] convergence [png] [pdf]
321 RUN694 BENZO_23_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
322 RUN1119 BENZO_309_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.22 ± 0.10 works [png] [pdf] convergence [png] [pdf]
323 RUN460 BENZO_317_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
324 RUN937 BENZO_216_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.23 ± 0.10 works [png] [pdf] convergence [png] [pdf]
325 RUN450 BENZO_306_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
326 RUN844 BENZO_170_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
327 RUN76 BENZO_77_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 1.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
328 RUN858 BENZO_177_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
329 RUN292 BENZO_230_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
330 RUN660 BENZO_493_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.24 ± 0.08 works [png] [pdf] convergence [png] [pdf]
331 RUN842 BENZO_169_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.24 ± 0.09 works [png] [pdf] convergence [png] [pdf]
332 RUN1240 BENZO_398_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.25 ± 0.08 works [png] [pdf] convergence [png] [pdf]
333 RUN709 BENZO_36_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.25 ± 0.09 works [png] [pdf] convergence [png] [pdf]
334 RUN556 BENZO_386_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
335 RUN193 BENZO_181_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.26 ± 0.06 works [png] [pdf] convergence [png] [pdf]
336 RUN544 BENZO_374_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.27 ± 0.09 works [png] [pdf] convergence [png] [pdf]
337 RUN687 BENZO_10_1 c1ccc2c(c1)nnn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
338 RUN642 BENZO_476_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.29 ± 0.06 works [png] [pdf] convergence [png] [pdf]
339 RUN291 BENZO_228_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
340 RUN569 BENZO_400_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.29 ± 0.08 works [png] [pdf] convergence [png] [pdf]
341 RUN668 BENZO_501_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.29 ± 0.10 works [png] [pdf] convergence [png] [pdf]
342 RUN378 BENZO_272_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.30 ± 0.09 works [png] [pdf] convergence [png] [pdf]
343 RUN1186 BENZO_347_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
344 RUN644 BENZO_477_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.30 ± 0.07 works [png] [pdf] convergence [png] [pdf]
345 RUN354 BENZO_260_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.30 ± 0.10 works [png] [pdf] convergence [png] [pdf]
346 RUN563 BENZO_394_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.30 ± 0.07 works [png] [pdf] convergence [png] [pdf]
347 RUN370 BENZO_269_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.31 ± 0.08 works [png] [pdf] convergence [png] [pdf]
348 RUN307 BENZO_235_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
349 RUN650 BENZO_485_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.32 ± 0.10 works [png] [pdf] convergence [png] [pdf]
350 RUN940 BENZO_218_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.32 ± 0.09 works [png] [pdf] convergence [png] [pdf]
351 RUN144 BENZO_142_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.33 ± 0.08 works [png] [pdf] convergence [png] [pdf]
352 RUN812 BENZO_141_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
353 RUN757 BENZO_84_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
354 RUN414 BENZO_292_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.34 ± 0.10 works [png] [pdf] convergence [png] [pdf]
355 RUN657 BENZO_487_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
356 RUN335 BENZO_250_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.34 ± 0.10 works [png] [pdf] convergence [png] [pdf]
357 RUN655 BENZO_488_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.35 ± 0.07 works [png] [pdf] convergence [png] [pdf]
358 RUN1202 BENZO_363_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
359 RUN1150 BENZO_322_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
360 RUN609 BENZO_440_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.35 ± 0.09 works [png] [pdf] convergence [png] [pdf]
361 RUN1023 BENZO_258_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.35 ± 0.08 works [png] [pdf] convergence [png] [pdf]
362 RUN898 BENZO_195_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
363 RUN67 BENZO_68_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.35 ± 0.08 works [png] [pdf] convergence [png] [pdf]
364 RUN849 BENZO_172_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.35 ± 0.05 works [png] [pdf] convergence [png] [pdf]
365 RUN1147 BENZO_318_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
366 RUN382 BENZO_274_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
367 RUN1210 BENZO_373_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 1.36 ± 0.09 works [png] [pdf] convergence [png] [pdf]
368 RUN568 BENZO_398_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.36 ± 0.09 works [png] [pdf] convergence [png] [pdf]
369 RUN737 BENZO_64_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
370 RUN1203 BENZO_365_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.37 ± 0.10 works [png] [pdf] convergence [png] [pdf]
371 RUN874 BENZO_184_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.38 ± 0.08 works [png] [pdf] convergence [png] [pdf]
372 RUN674 BENZO_5_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.39 ± 0.06 works [png] [pdf] convergence [png] [pdf]
373 RUN169 BENZO_168_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.39 ± 0.05 works [png] [pdf] convergence [png] [pdf]
374 RUN575 BENZO_406_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
375 RUN1185 BENZO_343_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.40 ± 0.09 works [png] [pdf] convergence [png] [pdf]
376 RUN394 BENZO_278_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
377 RUN783 BENZO_110_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
378 RUN227 BENZO_195_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.42 ± 0.09 works [png] [pdf] convergence [png] [pdf]
379 RUN1247 BENZO_409_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.42 ± 0.10 works [png] [pdf] convergence [png] [pdf]
380 RUN1257 BENZO_414_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
381 RUN2 BENZO_3_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.43 ± 0.08 works [png] [pdf] convergence [png] [pdf]
382 RUN753 BENZO_80_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
383 RUN359 BENZO_264_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.43 ± 0.07 works [png] [pdf] convergence [png] [pdf]
384 RUN1299 BENZO_460_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.43 ± 0.10 works [png] [pdf] convergence [png] [pdf]
385 RUN8 BENZO_9_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.44 ± 0.08 works [png] [pdf] convergence [png] [pdf]
386 RUN449 BENZO_308_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.44 ± 0.08 works [png] [pdf] convergence [png] [pdf]
387 RUN1207 BENZO_366_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
388 RUN1091 BENZO_291_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
389 RUN416 BENZO_290_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
390 RUN819 BENZO_146_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.48 ± 0.08 works [png] [pdf] convergence [png] [pdf]
391 RUN851 BENZO_172_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.48 ± 0.05 works [png] [pdf] convergence [png] [pdf]
392 RUN206 BENZO_187_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.48 ± 0.08 works [png] [pdf] convergence [png] [pdf]
393 RUN605 BENZO_436_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.49 ± 0.06 works [png] [pdf] convergence [png] [pdf]
394 RUN211 BENZO_188_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.49 ± 0.08 works [png] [pdf] convergence [png] [pdf]
395 RUN1058 BENZO_277_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 1.50 ± 0.08 works [png] [pdf] convergence [png] [pdf]
396 RUN1052 BENZO_275_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
397 RUN77 BENZO_76_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.51 ± 0.09 works [png] [pdf] convergence [png] [pdf]
398 RUN255 BENZO_210_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.51 ± 0.08 works [png] [pdf] convergence [png] [pdf]
399 RUN1258 BENZO_421_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.51 ± 0.09 works [png] [pdf] convergence [png] [pdf]
400 RUN309 BENZO_238_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
401 RUN486 BENZO_326_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
402 RUN96 BENZO_94_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.52 ± 0.09 works [png] [pdf] convergence [png] [pdf]
403 RUN587 BENZO_420_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.52 ± 0.05 works [png] [pdf] convergence [png] [pdf]
404 RUN481 BENZO_325_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.52 ± 0.09 works [png] [pdf] convergence [png] [pdf]
405 RUN981 BENZO_238_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
406 RUN1015 BENZO_254_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
407 RUN579 BENZO_410_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.53 ± 0.08 works [png] [pdf] convergence [png] [pdf]
408 RUN1255 BENZO_417_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
409 RUN1316 BENZO_474_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
410 RUN462 BENZO_315_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
411 RUN1004 BENZO_252_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.55 ± 0.10 works [png] [pdf] convergence [png] [pdf]
412 RUN573 BENZO_402_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.55 ± 0.10 works [png] [pdf] convergence [png] [pdf]
413 RUN205 BENZO_187_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.57 ± 0.09 works [png] [pdf] convergence [png] [pdf]
414 RUN372 BENZO_271_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.57 ± 0.09 works [png] [pdf] convergence [png] [pdf]
415 RUN750 BENZO_78_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.57 ± 0.10 works [png] [pdf] convergence [png] [pdf]
416 RUN708 BENZO_37_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 1.57 ± 0.10 works [png] [pdf] convergence [png] [pdf]
417 RUN978 BENZO_234_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
418 RUN369 BENZO_269_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.58 ± 0.08 works [png] [pdf] convergence [png] [pdf]
419 RUN421 BENZO_294_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.59 ± 0.09 works [png] [pdf] convergence [png] [pdf]
420 RUN175 BENZO_171_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.59 ± 0.06 works [png] [pdf] convergence [png] [pdf]
421 RUN588 BENZO_418_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.59 ± 0.09 works [png] [pdf] convergence [png] [pdf]
422 RUN215 BENZO_191_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
423 RUN677 BENZO_7_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.59 ± 0.10 works [png] [pdf] convergence [png] [pdf]
424 RUN1265 BENZO_424_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.59 ± 0.06 works [png] [pdf] convergence [png] [pdf]
425 RUN509 BENZO_340_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.60 ± 0.07 works [png] [pdf] convergence [png] [pdf]
426 RUN598 BENZO_433_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.61 ± 0.08 works [png] [pdf] convergence [png] [pdf]
427 RUN1013 BENZO_255_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
428 RUN108 BENZO_106_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
429 RUN168 BENZO_168_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.62 ± 0.05 works [png] [pdf] convergence [png] [pdf]
430 RUN201 BENZO_185_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.62 ± 0.08 works [png] [pdf] convergence [png] [pdf]
431 RUN1054 BENZO_275_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
432 RUN470 BENZO_319_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
433 RUN1239 BENZO_401_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
434 RUN1237 BENZO_396_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 1.64 ± 0.07 works [png] [pdf] convergence [png] [pdf]
435 RUN352 BENZO_258_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
436 RUN883 BENZO_188_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.65 ± 0.10 works [png] [pdf] convergence [png] [pdf]
437 RUN484 BENZO_327_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
438 RUN820 BENZO_149_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
439 RUN406 BENZO_286_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
440 RUN1068 BENZO_282_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
441 RUN1127 BENZO_310_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
442 RUN659 BENZO_491_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
443 RUN989 BENZO_242_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
444 RUN1288 BENZO_447_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
445 RUN87 BENZO_86_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.67 ± 0.07 works [png] [pdf] convergence [png] [pdf]
446 RUN1262 BENZO_423_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
447 RUN540 BENZO_372_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.68 ± 0.07 works [png] [pdf] convergence [png] [pdf]
448 RUN39 BENZO_38_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.68 ± 0.10 works [png] [pdf] convergence [png] [pdf]
449 RUN604 BENZO_437_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.68 ± 0.07 works [png] [pdf] convergence [png] [pdf]
450 RUN219 BENZO_192_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.68 ± 0.08 works [png] [pdf] convergence [png] [pdf]
451 RUN371 BENZO_268_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.70 ± 0.08 works [png] [pdf] convergence [png] [pdf]
452 RUN482 BENZO_324_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.70 ± 0.08 works [png] [pdf] convergence [png] [pdf]
453 RUN1326 BENZO_489_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.70 ± 0.10 works [png] [pdf] convergence [png] [pdf]
454 RUN1005 BENZO_253_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.71 ± 0.09 works [png] [pdf] convergence [png] [pdf]
455 RUN166 BENZO_166_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
456 RUN717 BENZO_44_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.71 ± 0.08 works [png] [pdf] convergence [png] [pdf]
457 RUN34 BENZO_34_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.73 ± 0.10 works [png] [pdf] convergence [png] [pdf]
458 RUN526 BENZO_359_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
459 RUN188 BENZO_178_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.74 ± 0.08 works [png] [pdf] convergence [png] [pdf]
460 RUN1165 BENZO_330_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.75 ± 0.10 works [png] [pdf] convergence [png] [pdf]
461 RUN707 BENZO_34_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.77 ± 0.07 works [png] [pdf] convergence [png] [pdf]
462 RUN321 BENZO_245_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
463 RUN47 BENZO_46_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.78 ± 0.08 works [png] [pdf] convergence [png] [pdf]
464 RUN1318 BENZO_479_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
465 RUN20 BENZO_21_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.78 ± 0.09 works [png] [pdf] convergence [png] [pdf]
466 RUN1320 BENZO_481_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.78 ± 0.07 works [png] [pdf] convergence [png] [pdf]
467 RUN162 BENZO_162_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
468 RUN223 BENZO_195_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.79 ± 0.09 works [png] [pdf] convergence [png] [pdf]
469 RUN755 BENZO_85_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
470 RUN194 BENZO_181_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.82 ± 0.08 works [png] [pdf] convergence [png] [pdf]
471 RUN836 BENZO_162_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
472 RUN187 BENZO_177_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.83 ± 0.07 works [png] [pdf] convergence [png] [pdf]
473 RUN870 BENZO_183_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.83 ± 0.10 works [png] [pdf] convergence [png] [pdf]
474 RUN226 BENZO_194_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.83 ± 0.09 works [png] [pdf] convergence [png] [pdf]
475 RUN183 BENZO_175_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
476 RUN611 BENZO_445_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 1.84 ± 0.08 works [png] [pdf] convergence [png] [pdf]
477 RUN585 BENZO_416_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.85 ± 0.08 works [png] [pdf] convergence [png] [pdf]
478 RUN347 BENZO_256_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.85 ± 0.08 works [png] [pdf] convergence [png] [pdf]
479 RUN1304 BENZO_465_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
480 RUN113 BENZO_110_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.85 ± 0.10 works [png] [pdf] convergence [png] [pdf]
481 RUN472 BENZO_320_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.86 ± 0.08 works [png] [pdf] convergence [png] [pdf]
482 RUN445 BENZO_309_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.87 ± 0.09 works [png] [pdf] convergence [png] [pdf]
483 RUN1160 BENZO_329_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
484 RUN599 BENZO_432_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.88 ± 0.06 works [png] [pdf] convergence [png] [pdf]
485 RUN934 BENZO_214_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.88 ± 0.10 works [png] [pdf] convergence [png] [pdf]
486 RUN355 BENZO_261_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 1.88 ± 0.09 works [png] [pdf] convergence [png] [pdf]
487 RUN409 BENZO_287_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
488 RUN181 BENZO_174_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
489 RUN220 BENZO_194_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.89 ± 0.08 works [png] [pdf] convergence [png] [pdf]
490 RUN212 BENZO_190_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.90 ± 0.09 works [png] [pdf] convergence [png] [pdf]
491 RUN327 BENZO_247_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
492 RUN664 BENZO_497_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
493 RUN469 BENZO_321_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.92 ± 0.09 works [png] [pdf] convergence [png] [pdf]
494 RUN1305 BENZO_464_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
495 RUN182 BENZO_175_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.92 ± 0.09 works [png] [pdf] convergence [png] [pdf]
496 RUN1046 BENZO_270_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
497 RUN1218 BENZO_379_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
498 RUN584 BENZO_414_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
499 RUN477 BENZO_323_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
500 RUN262 BENZO_214_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.94 ± 0.08 works [png] [pdf] convergence [png] [pdf]
501 RUN838 BENZO_166_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
502 RUN173 BENZO_170_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 1.94 ± 0.07 works [png] [pdf] convergence [png] [pdf]
503 RUN156 BENZO_157_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.94 ± 0.10 works [png] [pdf] convergence [png] [pdf]
504 RUN473 BENZO_318_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 1.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
505 RUN184 BENZO_177_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.95 ± 0.08 works [png] [pdf] convergence [png] [pdf]
506 RUN881 BENZO_189_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 1.96 ± 0.09 works [png] [pdf] convergence [png] [pdf]
507 RUN763 BENZO_90_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.97 ± 0.08 works [png] [pdf] convergence [png] [pdf]
508 RUN78 BENZO_78_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
509 RUN1129 BENZO_313_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 1.97 ± 0.08 works [png] [pdf] convergence [png] [pdf]
510 RUN1209 BENZO_368_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.98 ± 0.05 works [png] [pdf] convergence [png] [pdf]
511 RUN703 BENZO_30_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
512 RUN1018 BENZO_256_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 1.98 ± 0.07 works [png] [pdf] convergence [png] [pdf]
513 RUN827 BENZO_157_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
514 RUN549 BENZO_380_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 1.99 ± 0.05 works [png] [pdf] convergence [png] [pdf]
515 RUN349 BENZO_258_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.00 ± 0.09 works [png] [pdf] convergence [png] [pdf]
516 RUN647 BENZO_479_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
517 RUN1010 BENZO_253_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.01 ± 0.09 works [png] [pdf] convergence [png] [pdf]
518 RUN813 BENZO_140_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
519 RUN586 BENZO_421_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.02 ± 0.06 works [png] [pdf] convergence [png] [pdf]
520 RUN218 BENZO_193_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.02 ± 0.07 works [png] [pdf] convergence [png] [pdf]
521 RUN213 BENZO_191_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
522 RUN79 BENZO_81_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.02 ± 0.08 works [png] [pdf] convergence [png] [pdf]
523 RUN547 BENZO_381_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.03 ± 0.07 works [png] [pdf] convergence [png] [pdf]
524 RUN348 BENZO_261_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.03 ± 0.09 works [png] [pdf] convergence [png] [pdf]
525 RUN22 BENZO_23_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
526 RUN199 BENZO_183_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.04 ± 0.08 works [png] [pdf] convergence [png] [pdf]
527 RUN337 BENZO_252_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.04 ± 0.07 works [png] [pdf] convergence [png] [pdf]
528 RUN57 BENZO_55_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.05 ± 0.10 works [png] [pdf] convergence [png] [pdf]
529 RUN1130 BENZO_312_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.05 ± 0.08 works [png] [pdf] convergence [png] [pdf]
530 RUN325 BENZO_247_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
531 RUN1098 BENZO_296_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.06 ± 0.10 works [png] [pdf] convergence [png] [pdf]
532 RUN648 BENZO_481_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
533 RUN1099 BENZO_296_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.06 ± 0.09 works [png] [pdf] convergence [png] [pdf]
534 RUN7 BENZO_4_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.06 ± 0.09 works [png] [pdf] convergence [png] [pdf]
535 RUN430 BENZO_299_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
536 RUN31 BENZO_30_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.07 ± 0.08 works [png] [pdf] convergence [png] [pdf]
537 RUN420 BENZO_294_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.08 ± 0.10 works [png] [pdf] convergence [png] [pdf]
538 RUN170 BENZO_169_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.08 ± 0.05 works [png] [pdf] convergence [png] [pdf]
539 RUN1062 BENZO_280_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
540 RUN150 BENZO_153_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.09 ± 0.09 works [png] [pdf] convergence [png] [pdf]
541 RUN302 BENZO_236_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.09 ± 0.08 works [png] [pdf] convergence [png] [pdf]
542 RUN543 BENZO_376_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.09 ± 0.05 works [png] [pdf] convergence [png] [pdf]
543 RUN444 BENZO_306_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.10 ± 0.10 works [png] [pdf] convergence [png] [pdf]
544 RUN1153 BENZO_325_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.10 ± 0.09 works [png] [pdf] convergence [png] [pdf]
545 RUN927 BENZO_210_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.10 ± 0.10 works [png] [pdf] convergence [png] [pdf]
546 RUN1264 BENZO_425_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.11 ± 0.06 works [png] [pdf] convergence [png] [pdf]
547 RUN1140 BENZO_321_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
548 RUN40 BENZO_41_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.11 ± 0.07 works [png] [pdf] convergence [png] [pdf]
549 RUN488 BENZO_329_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
550 RUN504 BENZO_334_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.12 ± 0.09 works [png] [pdf] convergence [png] [pdf]
551 RUN56 BENZO_54_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.12 ± 0.09 works [png] [pdf] convergence [png] [pdf]
552 RUN970 BENZO_231_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.12 ± 0.09 works [png] [pdf] convergence [png] [pdf]
553 RUN157 BENZO_156_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
554 RUN365 BENZO_267_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.13 ± 0.09 works [png] [pdf] convergence [png] [pdf]
555 RUN411 BENZO_287_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
556 RUN1236 BENZO_397_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.14 ± 0.07 works [png] [pdf] convergence [png] [pdf]
557 RUN747 BENZO_74_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
558 RUN1275 BENZO_437_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.15 ± 0.09 works [png] [pdf] convergence [png] [pdf]
559 RUN1088 BENZO_290_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
560 RUN230 BENZO_198_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.15 ± 0.07 works [png] [pdf] convergence [png] [pdf]
561 RUN452 BENZO_310_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.15 ± 0.09 works [png] [pdf] convergence [png] [pdf]
562 RUN217 BENZO_192_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.16 ± 0.07 works [png] [pdf] convergence [png] [pdf]
563 RUN464 BENZO_314_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
564 RUN479 BENZO_322_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
565 RUN1253 BENZO_412_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
566 RUN561 BENZO_392_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.17 ± 0.06 works [png] [pdf] convergence [png] [pdf]
567 RUN608 BENZO_441_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.18 ± 0.09 works [png] [pdf] convergence [png] [pdf]
568 RUN1342 BENZO_502_1 c1ccn2c(c1)nnc2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
569 RUN152 BENZO_150_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
570 RUN174 BENZO_171_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.18 ± 0.08 works [png] [pdf] convergence [png] [pdf]
571 RUN263 BENZO_214_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.18 ± 0.08 works [png] [pdf] convergence [png] [pdf]
572 RUN216 BENZO_190_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.18 ± 0.10 works [png] [pdf] convergence [png] [pdf]
573 RUN922 BENZO_206_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.18 ± 0.09 works [png] [pdf] convergence [png] [pdf]
574 RUN85 BENZO_83_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
575 RUN95 BENZO_96_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.19 ± 0.07 works [png] [pdf] convergence [png] [pdf]
576 RUN662 BENZO_495_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
577 RUN542 BENZO_377_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.20 ± 0.07 works [png] [pdf] convergence [png] [pdf]
578 RUN533 BENZO_364_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.20 ± 0.05 works [png] [pdf] convergence [png] [pdf]
579 RUN37 BENZO_36_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.20 ± 0.08 works [png] [pdf] convergence [png] [pdf]
580 RUN670 BENZO_503_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
581 RUN275 BENZO_220_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.22 ± 0.07 works [png] [pdf] convergence [png] [pdf]
582 RUN1261 BENZO_419_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
583 RUN1241 BENZO_400_1 c1ccc2c(c1)c([nH]n2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
584 RUN236 BENZO_202_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
585 RUN171 BENZO_169_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.23 ± 0.06 works [png] [pdf] convergence [png] [pdf]
586 RUN875 BENZO_185_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
587 RUN499 BENZO_332_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.25 ± 0.10 works [png] [pdf] convergence [png] [pdf]
588 RUN377 BENZO_273_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
589 RUN1208 BENZO_369_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.25 ± 0.06 works [png] [pdf] convergence [png] [pdf]
590 RUN719 BENZO_49_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
591 RUN53 BENZO_52_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.27 ± 0.07 works [png] [pdf] convergence [png] [pdf]
592 RUN485 BENZO_327_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
593 RUN1189 BENZO_348_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.27 ± 0.09 works [png] [pdf] convergence [png] [pdf]
594 RUN270 BENZO_218_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.28 ± 0.10 works [png] [pdf] convergence [png] [pdf]
595 RUN373 BENZO_271_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.28 ± 0.09 works [png] [pdf] convergence [png] [pdf]
596 RUN513 BENZO_343_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
597 RUN328 BENZO_249_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.29 ± 0.09 works [png] [pdf] convergence [png] [pdf]
598 RUN869 BENZO_182_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.30 ± 0.09 works [png] [pdf] convergence [png] [pdf]
599 RUN730 BENZO_59_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
600 RUN895 BENZO_196_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.32 ± 0.09 works [png] [pdf] convergence [png] [pdf]
601 RUN1198 BENZO_359_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
602 RUN316 BENZO_242_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
603 RUN387 BENZO_277_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.32 ± 0.10 works [png] [pdf] convergence [png] [pdf]
604 RUN366 BENZO_266_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.32 ± 0.09 works [png] [pdf] convergence [png] [pdf]
605 RUN597 BENZO_426_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
606 RUN541 BENZO_370_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.33 ± 0.09 works [png] [pdf] convergence [png] [pdf]
607 RUN505 BENZO_335_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
608 RUN1234 BENZO_395_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
609 RUN666 BENZO_499_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
610 RUN155 BENZO_154_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
611 RUN716 BENZO_45_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.34 ± 0.09 works [png] [pdf] convergence [png] [pdf]
612 RUN723 BENZO_53_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.34 ± 0.09 works [png] [pdf] convergence [png] [pdf]
613 RUN1281 BENZO_440_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
614 RUN767 BENZO_96_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.35 ± 0.09 works [png] [pdf] convergence [png] [pdf]
615 RUN214 BENZO_193_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.35 ± 0.07 works [png] [pdf] convergence [png] [pdf]
616 RUN1107 BENZO_300_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
617 RUN553 BENZO_384_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.36 ± 0.09 works [png] [pdf] convergence [png] [pdf]
618 RUN105 BENZO_104_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.36 ± 0.09 works [png] [pdf] convergence [png] [pdf]
619 RUN1083 BENZO_287_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.37 ± 0.09 works [png] [pdf] convergence [png] [pdf]
620 RUN1314 BENZO_477_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.37 ± 0.10 works [png] [pdf] convergence [png] [pdf]
621 RUN606 BENZO_439_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.37 ± 0.10 works [png] [pdf] convergence [png] [pdf]
622 RUN1214 BENZO_377_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.37 ± 0.09 works [png] [pdf] convergence [png] [pdf]
623 RUN771 BENZO_101_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.37 ± 0.10 works [png] [pdf] convergence [png] [pdf]
624 RUN455 BENZO_310_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
625 RUN60 BENZO_60_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.38 ± 0.09 works [png] [pdf] convergence [png] [pdf]
626 RUN346 BENZO_256_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.38 ± 0.08 works [png] [pdf] convergence [png] [pdf]
627 RUN461 BENZO_314_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
628 RUN389 BENZO_281_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.38 ± 0.08 works [png] [pdf] convergence [png] [pdf]
629 RUN1222 BENZO_383_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
630 RUN176 BENZO_172_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
631 RUN417 BENZO_291_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 2.39 ± 0.10 works [png] [pdf] convergence [png] [pdf]
632 RUN1324 BENZO_483_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.40 ± 0.10 works [png] [pdf] convergence [png] [pdf]
633 RUN1049 BENZO_273_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.40 ± 0.10 works [png] [pdf] convergence [png] [pdf]
634 RUN582 BENZO_417_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 2.40 ± 0.09 works [png] [pdf] convergence [png] [pdf]
635 RUN928 BENZO_212_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.40 ± 0.08 works [png] [pdf] convergence [png] [pdf]
636 RUN756 BENZO_83_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
637 RUN250 BENZO_206_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.41 ± 0.09 works [png] [pdf] convergence [png] [pdf]
638 RUN766 BENZO_97_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.41 ± 0.09 works [png] [pdf] convergence [png] [pdf]
639 RUN73 BENZO_73_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.42 ± 0.08 works [png] [pdf] convergence [png] [pdf]
640 RUN764 BENZO_93_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
641 RUN336 BENZO_253_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.42 ± 0.07 works [png] [pdf] convergence [png] [pdf]
642 RUN343 BENZO_254_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.43 ± 0.08 works [png] [pdf] convergence [png] [pdf]
643 RUN185 BENZO_176_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.43 ± 0.08 works [png] [pdf] convergence [png] [pdf]
644 RUN1011 BENZO_252_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.44 ± 0.10 works [png] [pdf] convergence [png] [pdf]
645 RUN494 BENZO_333_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.44 ± 0.10 works [png] [pdf] convergence [png] [pdf]
646 RUN1074 BENZO_284_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.45 ± 0.07 works [png] [pdf] convergence [png] [pdf]
647 RUN334 BENZO_253_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.45 ± 0.07 works [png] [pdf] convergence [png] [pdf]
648 RUN428 BENZO_298_1 COc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
649 RUN353 BENZO_259_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
650 RUN855 BENZO_175_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.47 ± 0.08 works [png] [pdf] convergence [png] [pdf]
651 RUN27 BENZO_28_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.47 ± 0.05 works [png] [pdf] convergence [png] [pdf]
652 RUN1141 BENZO_321_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.47 ± 0.10 works [png] [pdf] convergence [png] [pdf]
653 RUN303 BENZO_236_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.47 ± 0.08 works [png] [pdf] convergence [png] [pdf]
654 RUN1170 BENZO_332_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
655 RUN149 BENZO_148_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.47 ± 0.09 works [png] [pdf] convergence [png] [pdf]
656 RUN51 BENZO_50_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
657 RUN956 BENZO_227_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
658 RUN601 BENZO_431_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
659 RUN93 BENZO_92_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.48 ± 0.08 works [png] [pdf] convergence [png] [pdf]
660 RUN850 BENZO_173_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.48 ± 0.06 works [png] [pdf] convergence [png] [pdf]
661 RUN447 BENZO_309_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.49 ± 0.08 works [png] [pdf] convergence [png] [pdf]
662 RUN459 BENZO_312_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
663 RUN1131 BENZO_312_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.50 ± 0.07 works [png] [pdf] convergence [png] [pdf]
664 RUN571 BENZO_404_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.51 ± 0.07 works [png] [pdf] convergence [png] [pdf]
665 RUN49 BENZO_48_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.51 ± 0.09 works [png] [pdf] convergence [png] [pdf]
666 RUN761 BENZO_88_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.51 ± 0.06 works [png] [pdf] convergence [png] [pdf]
667 RUN351 BENZO_259_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.51 ± 0.10 works [png] [pdf] convergence [png] [pdf]
668 RUN492 BENZO_330_1 c1ccn2c(c1)nnc2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
669 RUN1055 BENZO_277_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
670 RUN1109 BENZO_302_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
671 RUN339 BENZO_251_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
672 RUN924 BENZO_211_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
673 RUN1045 BENZO_271_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
674 RUN602 BENZO_435_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
675 RUN1021 BENZO_261_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
676 RUN243 BENZO_204_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.55 ± 0.08 works [png] [pdf] convergence [png] [pdf]
677 RUN474 BENZO_319_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
678 RUN456 BENZO_313_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
679 RUN892 BENZO_194_1 c1ccc2c(c1)nnn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
680 RUN478 BENZO_322_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.56 ± 0.09 works [png] [pdf] convergence [png] [pdf]
681 RUN208 BENZO_189_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.58 ± 0.09 works [png] [pdf] convergence [png] [pdf]
682 RUN363 BENZO_262_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.58 ± 0.09 works [png] [pdf] convergence [png] [pdf]
683 RUN1206 BENZO_367_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
684 RUN84 BENZO_84_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.59 ± 0.06 works [png] [pdf] convergence [png] [pdf]
685 RUN832 BENZO_161_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
686 RUN1114 BENZO_304_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.59 ± 0.10 works [png] [pdf] convergence [png] [pdf]
687 RUN681 BENZO_9_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.60 ± 0.09 works [png] [pdf] convergence [png] [pdf]
688 RUN802 BENZO_130_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
689 RUN1014 BENZO_254_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
690 RUN381 BENZO_274_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
691 RUN453 BENZO_311_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.61 ± 0.09 works [png] [pdf] convergence [png] [pdf]
692 RUN705 BENZO_32_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.61 ± 0.06 works [png] [pdf] convergence [png] [pdf]
693 RUN576 BENZO_409_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.63 ± 0.08 works [png] [pdf] convergence [png] [pdf]
694 RUN376 BENZO_273_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.64 ± 0.09 works [png] [pdf] convergence [png] [pdf]
695 RUN1073 BENZO_285_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.64 ± 0.08 works [png] [pdf] convergence [png] [pdf]
696 RUN704 BENZO_33_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.65 ± 0.06 works [png] [pdf] convergence [png] [pdf]
697 RUN999 BENZO_247_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
698 RUN724 BENZO_50_1 c1ccc2c(c1)ncn2NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
699 RUN554 BENZO_389_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.65 ± 0.08 works [png] [pdf] convergence [png] [pdf]
700 RUN448 BENZO_308_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.66 ± 0.08 works [png] [pdf] convergence [png] [pdf]
701 RUN41 BENZO_40_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.66 ± 0.07 works [png] [pdf] convergence [png] [pdf]
702 RUN356 BENZO_265_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.66 ± 0.09 works [png] [pdf] convergence [png] [pdf]
703 RUN1090 BENZO_290_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.67 ± 0.10 works [png] [pdf] convergence [png] [pdf]
704 RUN824 BENZO_151_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
705 RUN826 BENZO_155_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
706 RUN100 BENZO_101_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.68 ± 0.08 works [png] [pdf] convergence [png] [pdf]
707 RUN612 BENZO_443_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
708 RUN242 BENZO_205_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.68 ± 0.08 works [png] [pdf] convergence [png] [pdf]
709 RUN1232 BENZO_393_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
710 RUN1128 BENZO_313_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.68 ± 0.09 works [png] [pdf] convergence [png] [pdf]
711 RUN341 BENZO_255_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.68 ± 0.08 works [png] [pdf] convergence [png] [pdf]
712 RUN357 BENZO_265_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.69 ± 0.08 works [png] [pdf] convergence [png] [pdf]
713 RUN566 BENZO_401_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 2.69 ± 0.09 works [png] [pdf] convergence [png] [pdf]
714 RUN1228 BENZO_389_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
715 RUN209 BENZO_189_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.70 ± 0.09 works [png] [pdf] convergence [png] [pdf]
716 RUN109 BENZO_108_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.71 ± 0.08 works [png] [pdf] convergence [png] [pdf]
717 RUN769 BENZO_95_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
718 RUN178 BENZO_173_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.72 ± 0.10 works [png] [pdf] convergence [png] [pdf]
719 RUN593 BENZO_424_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.72 ± 0.07 works [png] [pdf] convergence [png] [pdf]
720 RUN954 BENZO_224_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.74 ± 0.08 works [png] [pdf] convergence [png] [pdf]
721 RUN468 BENZO_321_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.75 ± 0.09 works [png] [pdf] convergence [png] [pdf]
722 RUN1266 BENZO_427_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.75 ± 0.09 works [png] [pdf] convergence [png] [pdf]
723 RUN1276 BENZO_434_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
724 RUN570 BENZO_405_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.76 ± 0.07 works [png] [pdf] convergence [png] [pdf]
725 RUN4 BENZO_7_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
726 RUN1283 BENZO_443_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
727 RUN441 BENZO_303_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
728 RUN590 BENZO_423_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.77 ± 0.09 works [png] [pdf] convergence [png] [pdf]
729 RUN1309 BENZO_468_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
730 RUN458 BENZO_312_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
731 RUN848 BENZO_173_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.79 ± 0.06 works [png] [pdf] convergence [png] [pdf]
732 RUN1067 BENZO_278_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 2.79 ± 0.09 works [png] [pdf] convergence [png] [pdf]
733 RUN692 BENZO_21_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
734 RUN258 BENZO_213_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.80 ± 0.07 works [png] [pdf] convergence [png] [pdf]
735 RUN177 BENZO_173_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 2.80 ± 0.09 works [png] [pdf] convergence [png] [pdf]
736 RUN1279 BENZO_438_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
737 RUN361 BENZO_262_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.80 ± 0.09 works [png] [pdf] convergence [png] [pdf]
738 RUN314 BENZO_241_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.81 ± 0.09 works [png] [pdf] convergence [png] [pdf]
739 RUN560 BENZO_393_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 2.82 ± 0.07 works [png] [pdf] convergence [png] [pdf]
740 RUN342 BENZO_254_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.82 ± 0.08 works [png] [pdf] convergence [png] [pdf]
741 RUN1075 BENZO_284_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.82 ± 0.08 works [png] [pdf] convergence [png] [pdf]
742 RUN256 BENZO_212_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.82 ± 0.06 works [png] [pdf] convergence [png] [pdf]
743 RUN982 BENZO_239_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
744 RUN1132 BENZO_314_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.84 ± 0.10 works [png] [pdf] convergence [png] [pdf]
745 RUN997 BENZO_247_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 2.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
746 RUN1031 BENZO_264_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.84 ± 0.09 works [png] [pdf] convergence [png] [pdf]
747 RUN491 BENZO_328_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 2.85 ± 0.10 works [png] [pdf] convergence [png] [pdf]
748 RUN589 BENZO_419_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
749 RUN1079 BENZO_288_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
750 RUN190 BENZO_179_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 2.87 ± 0.10 works [png] [pdf] convergence [png] [pdf]
751 RUN1120 BENZO_308_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
752 RUN44 BENZO_44_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.87 ± 0.06 works [png] [pdf] convergence [png] [pdf]
753 RUN94 BENZO_97_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.88 ± 0.08 works [png] [pdf] convergence [png] [pdf]
754 RUN400 BENZO_285_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
755 RUN46 BENZO_47_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.88 ± 0.09 works [png] [pdf] convergence [png] [pdf]
756 RUN244 BENZO_209_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.89 ± 0.07 works [png] [pdf] convergence [png] [pdf]
757 RUN252 BENZO_211_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.89 ± 0.08 works [png] [pdf] convergence [png] [pdf]
758 RUN395 BENZO_279_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
759 RUN1017 BENZO_257_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.91 ± 0.07 works [png] [pdf] convergence [png] [pdf]
760 RUN1028 BENZO_265_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.91 ± 0.09 works [png] [pdf] convergence [png] [pdf]
761 RUN438 BENZO_303_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 2.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
762 RUN531 BENZO_365_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.93 ± 0.06 works [png] [pdf] convergence [png] [pdf]
763 RUN815 BENZO_145_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 2.94 ± 0.07 works [png] [pdf] convergence [png] [pdf]
764 RUN257 BENZO_212_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.95 ± 0.07 works [png] [pdf] convergence [png] [pdf]
765 RUN251 BENZO_207_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.96 ± 0.09 works [png] [pdf] convergence [png] [pdf]
766 RUN35 BENZO_37_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 2.97 ± 0.08 works [png] [pdf] convergence [png] [pdf]
767 RUN901 BENZO_199_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
768 RUN229 BENZO_199_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 2.98 ± 0.07 works [png] [pdf] convergence [png] [pdf]
769 RUN1124 BENZO_311_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
770 RUN1084 BENZO_293_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 2.98 ± 0.09 works [png] [pdf] convergence [png] [pdf]
771 RUN340 BENZO_255_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 2.99 ± 0.09 works [png] [pdf] convergence [png] [pdf]
772 RUN1000 BENZO_249_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
773 RUN1269 BENZO_428_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 2.99 ± 0.09 works [png] [pdf] convergence [png] [pdf]
774 RUN758 BENZO_87_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
775 RUN722 BENZO_51_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
776 RUN1133 BENZO_315_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.01 ± 0.08 works [png] [pdf] convergence [png] [pdf]
777 RUN268 BENZO_218_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.01 ± 0.09 works [png] [pdf] convergence [png] [pdf]
778 RUN282 BENZO_222_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.02 ± 0.09 works [png] [pdf] convergence [png] [pdf]
779 RUN146 BENZO_146_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
780 RUN45 BENZO_45_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.04 ± 0.08 works [png] [pdf] convergence [png] [pdf]
781 RUN463 BENZO_315_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
782 RUN234 BENZO_200_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.04 ± 0.08 works [png] [pdf] convergence [png] [pdf]
783 RUN350 BENZO_260_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.06 ± 0.09 works [png] [pdf] convergence [png] [pdf]
784 RUN774 BENZO_103_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
785 RUN649 BENZO_480_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.06 ± 0.08 works [png] [pdf] convergence [png] [pdf]
786 RUN247 BENZO_208_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.08 ± 0.06 works [png] [pdf] convergence [png] [pdf]
787 RUN907 BENZO_200_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.09 ± 0.06 works [png] [pdf] convergence [png] [pdf]
788 RUN1024 BENZO_259_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.10 ± 0.08 works [png] [pdf] convergence [png] [pdf]
789 RUN345 BENZO_257_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.10 ± 0.10 works [png] [pdf] convergence [png] [pdf]
790 RUN496 BENZO_331_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
791 RUN843 BENZO_169_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 3.12 ± 0.10 works [png] [pdf] convergence [png] [pdf]
792 RUN817 BENZO_144_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.13 ± 0.07 works [png] [pdf] convergence [png] [pdf]
793 RUN101 BENZO_100_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.14 ± 0.07 works [png] [pdf] convergence [png] [pdf]
794 RUN497 BENZO_333_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.15 ± 0.10 works [png] [pdf] convergence [png] [pdf]
795 RUN727 BENZO_57_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 3.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
796 RUN260 BENZO_215_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.17 ± 0.08 works [png] [pdf] convergence [png] [pdf]
797 RUN154 BENZO_155_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
798 RUN614 BENZO_447_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
799 RUN1041 BENZO_269_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.19 ± 0.10 works [png] [pdf] convergence [png] [pdf]
800 RUN915 BENZO_204_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.19 ± 0.09 works [png] [pdf] convergence [png] [pdf]
801 RUN1096 BENZO_297_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.20 ± 0.10 works [png] [pdf] convergence [png] [pdf]
802 RUN1072 BENZO_285_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.20 ± 0.08 works [png] [pdf] convergence [png] [pdf]
803 RUN1138 BENZO_315_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.21 ± 0.09 works [png] [pdf] convergence [png] [pdf]
804 RUN140 BENZO_141_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.22 ± 0.07 works [png] [pdf] convergence [png] [pdf]
805 RUN1238 BENZO_399_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 3.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
806 RUN393 BENZO_279_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
807 RUN437 BENZO_302_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
808 RUN1136 BENZO_317_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
809 RUN489 BENZO_329_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
810 RUN38 BENZO_39_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
811 RUN1212 BENZO_371_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.26 ± 0.09 works [png] [pdf] convergence [png] [pdf]
812 RUN652 BENZO_483_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
813 RUN446 BENZO_307_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 3.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
814 RUN551 BENZO_383_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.27 ± 0.09 works [png] [pdf] convergence [png] [pdf]
815 RUN454 BENZO_311_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.29 ± 0.08 works [png] [pdf] convergence [png] [pdf]
816 RUN580 BENZO_413_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 3.31 ± 0.10 works [png] [pdf] convergence [png] [pdf]
817 RUN165 BENZO_164_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.32 ± 0.08 works [png] [pdf] convergence [png] [pdf]
818 RUN948 BENZO_222_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.33 ± 0.08 works [png] [pdf] convergence [png] [pdf]
819 RUN548 BENZO_379_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.33 ± 0.10 works [png] [pdf] convergence [png] [pdf]
820 RUN552 BENZO_385_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.35 ± 0.10 works [png] [pdf] convergence [png] [pdf]
821 RUN235 BENZO_200_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.35 ± 0.09 works [png] [pdf] convergence [png] [pdf]
822 RUN726 BENZO_56_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 3.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
823 RUN42 BENZO_43_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.37 ± 0.10 works [png] [pdf] convergence [png] [pdf]
824 RUN145 BENZO_144_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.37 ± 0.09 works [png] [pdf] convergence [png] [pdf]
825 RUN88 BENZO_89_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
826 RUN59 BENZO_58_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 3.37 ± 0.09 works [png] [pdf] convergence [png] [pdf]
827 RUN596 BENZO_427_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
828 RUN415 BENZO_293_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
829 RUN578 BENZO_411_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 3.41 ± 0.10 works [png] [pdf] convergence [png] [pdf]
830 RUN33 BENZO_33_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.42 ± 0.08 works [png] [pdf] convergence [png] [pdf]
831 RUN947 BENZO_220_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.42 ± 0.09 works [png] [pdf] convergence [png] [pdf]
832 RUN1027 BENZO_259_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.42 ± 0.09 works [png] [pdf] convergence [png] [pdf]
833 RUN265 BENZO_217_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.42 ± 0.09 works [png] [pdf] convergence [png] [pdf]
834 RUN390 BENZO_278_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.43 ± 0.09 works [png] [pdf] convergence [png] [pdf]
835 RUN945 BENZO_218_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
836 RUN222 BENZO_196_1 CN(C)c1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.43 ± 0.06 works [png] [pdf] convergence [png] [pdf]
837 RUN102 BENZO_103_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
838 RUN1163 BENZO_328_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
839 RUN702 BENZO_31_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
840 RUN698 BENZO_29_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
841 RUN1285 BENZO_444_1 c1ccn2c(c1)c(nn2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.46 ± 0.09 works [png] [pdf] convergence [png] [pdf]
842 RUN308 BENZO_238_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 3.47 ± 0.10 works [png] [pdf] convergence [png] [pdf]
843 RUN835 BENZO_163_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
844 RUN1154 BENZO_324_1 COc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.48 ± 0.10 works [png] [pdf] convergence [png] [pdf]
845 RUN384 BENZO_275_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
846 RUN408 BENZO_289_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 3.49 ± 0.09 works [png] [pdf] convergence [png] [pdf]
847 RUN283 BENZO_223_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.49 ± 0.09 works [png] [pdf] convergence [png] [pdf]
848 RUN1095 BENZO_295_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
849 RUN1302 BENZO_462_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
850 RUN147 BENZO_149_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.50 ± 0.09 works [png] [pdf] convergence [png] [pdf]
851 RUN911 BENZO_204_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.50 ± 0.08 works [png] [pdf] convergence [png] [pdf]
852 RUN1308 BENZO_469_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
853 RUN939 BENZO_216_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.51 ± 0.10 works [png] [pdf] convergence [png] [pdf]
854 RUN362 BENZO_263_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.52 ± 0.10 works [png] [pdf] convergence [png] [pdf]
855 RUN507 BENZO_335_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
856 RUN1012 BENZO_255_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
857 RUN261 BENZO_215_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.55 ± 0.08 works [png] [pdf] convergence [png] [pdf]
858 RUN419 BENZO_291_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 3.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
859 RUN572 BENZO_403_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
860 RUN240 BENZO_202_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.55 ± 0.09 works [png] [pdf] convergence [png] [pdf]
861 RUN1022 BENZO_261_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.55 ± 0.09 works [png] [pdf] convergence [png] [pdf]
862 RUN48 BENZO_49_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
863 RUN706 BENZO_35_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
864 RUN467 BENZO_316_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.56 ± 0.09 works [png] [pdf] convergence [png] [pdf]
865 RUN104 BENZO_105_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.57 ± 0.10 works [png] [pdf] convergence [png] [pdf]
866 RUN131 BENZO_131_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
867 RUN121 BENZO_120_1 c1ccc2c(c1)c(c[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.59 ± 0.09 works [png] [pdf] convergence [png] [pdf]
868 RUN686 BENZO_11_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
869 RUN831 BENZO_158_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
870 RUN50 BENZO_53_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.62 ± 0.08 works [png] [pdf] convergence [png] [pdf]
871 RUN1117 BENZO_309_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
872 RUN1135 BENZO_317_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.63 ± 0.09 works [png] [pdf] convergence [png] [pdf]
873 RUN583 BENZO_415_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
874 RUN158 BENZO_159_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
875 RUN97 BENZO_95_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.64 ± 0.09 works [png] [pdf] convergence [png] [pdf]
876 RUN537 BENZO_368_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.65 ± 0.08 works [png] [pdf] convergence [png] [pdf]
877 RUN25 BENZO_29_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.66 ± 0.06 works [png] [pdf] convergence [png] [pdf]
878 RUN545 BENZO_375_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.66 ± 0.10 works [png] [pdf] convergence [png] [pdf]
879 RUN272 BENZO_219_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.69 ± 0.10 works [png] [pdf] convergence [png] [pdf]
880 RUN83 BENZO_85_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.70 ± 0.07 works [png] [pdf] convergence [png] [pdf]
881 RUN558 BENZO_391_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
882 RUN92 BENZO_90_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
883 RUN574 BENZO_407_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 3.72 ± 0.10 works [png] [pdf] convergence [png] [pdf]
884 RUN267 BENZO_216_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.72 ± 0.08 works [png] [pdf] convergence [png] [pdf]
885 RUN1301 BENZO_458_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
886 RUN1125 BENZO_311_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
887 RUN762 BENZO_91_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
888 RUN976 BENZO_235_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
889 RUN402 BENZO_285_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
890 RUN90 BENZO_93_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.74 ± 0.09 works [png] [pdf] convergence [png] [pdf]
891 RUN439 BENZO_305_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 3.75 ± 0.09 works [png] [pdf] convergence [png] [pdf]
892 RUN534 BENZO_367_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.75 ± 0.08 works [png] [pdf] convergence [png] [pdf]
893 RUN239 BENZO_203_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.76 ± 0.10 works [png] [pdf] convergence [png] [pdf]
894 RUN451 BENZO_307_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 3.77 ± 0.10 works [png] [pdf] convergence [png] [pdf]
895 RUN926 BENZO_210_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.80 ± 0.09 works [png] [pdf] convergence [png] [pdf]
896 RUN775 BENZO_102_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
897 RUN555 BENZO_387_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
898 RUN1066 BENZO_278_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.81 ± 0.09 works [png] [pdf] convergence [png] [pdf]
899 RUN905 BENZO_201_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.82 ± 0.06 works [png] [pdf] convergence [png] [pdf]
900 RUN380 BENZO_275_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 3.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
901 RUN425 BENZO_297_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.84 ± 0.08 works [png] [pdf] convergence [png] [pdf]
902 RUN896 BENZO_196_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.85 ± 0.09 works [png] [pdf] convergence [png] [pdf]
903 RUN1002 BENZO_248_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 3.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
904 RUN795 BENZO_124_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.87 ± 0.09 works [png] [pdf] convergence [png] [pdf]
905 RUN1029 BENZO_265_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.87 ± 0.10 works [png] [pdf] convergence [png] [pdf]
906 RUN123 BENZO_124_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.89 ± 0.09 works [png] [pdf] convergence [png] [pdf]
907 RUN151 BENZO_152_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.89 ± 0.08 works [png] [pdf] convergence [png] [pdf]
908 RUN52 BENZO_51_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
909 RUN153 BENZO_151_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
910 RUN1307 BENZO_466_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
911 RUN221 BENZO_197_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.90 ± 0.06 works [png] [pdf] convergence [png] [pdf]
912 RUN893 BENZO_197_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.90 ± 0.09 works [png] [pdf] convergence [png] [pdf]
913 RUN902 BENZO_199_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
914 RUN562 BENZO_395_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 3.91 ± 0.09 works [png] [pdf] convergence [png] [pdf]
915 RUN418 BENZO_290_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 3.91 ± 0.10 works [png] [pdf] convergence [png] [pdf]
916 RUN539 BENZO_371_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
917 RUN498 BENZO_330_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
918 RUN364 BENZO_267_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.93 ± 0.08 works [png] [pdf] convergence [png] [pdf]
919 RUN89 BENZO_88_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.93 ± 0.09 works [png] [pdf] convergence [png] [pdf]
920 RUN233 BENZO_201_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
921 RUN1040 BENZO_269_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.96 ± 0.09 works [png] [pdf] convergence [png] [pdf]
922 RUN796 BENZO_123_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
923 RUN107 BENZO_107_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 4.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
924 RUN920 BENZO_208_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 3.96 ± 0.09 works [png] [pdf] convergence [png] [pdf]
925 RUN1327 BENZO_488_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3nnc4n3cccc4 [svg] [sdf] [pdb] 3.96 ± 0.10 works [png] [pdf] convergence [png] [pdf]
926 RUN98 BENZO_99_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 4.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
927 RUN760 BENZO_89_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 3.97 ± 0.08 works [png] [pdf] convergence [png] [pdf]
928 RUN973 BENZO_237_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 3.97 ± 0.10 works [png] [pdf] convergence [png] [pdf]
929 RUN814 BENZO_143_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 4.0 ± 0.2 works [png] [pdf] convergence [png] [pdf]
930 RUN715 BENZO_42_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
931 RUN274 BENZO_221_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 4.02 ± 0.08 works [png] [pdf] convergence [png] [pdf]
932 RUN862 BENZO_180_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 4.02 ± 0.08 works [png] [pdf] convergence [png] [pdf]
933 RUN142 BENZO_143_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 4.04 ± 0.10 works [png] [pdf] convergence [png] [pdf]
934 RUN266 BENZO_216_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 4.06 ± 0.09 works [png] [pdf] convergence [png] [pdf]
935 RUN476 BENZO_323_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 4.06 ± 0.08 works [png] [pdf] convergence [png] [pdf]
936 RUN903 BENZO_198_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.06 ± 0.10 works [png] [pdf] convergence [png] [pdf]
937 RUN427 BENZO_297_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.08 ± 0.09 works [png] [pdf] convergence [png] [pdf]
938 RUN273 BENZO_220_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.08 ± 0.08 works [png] [pdf] convergence [png] [pdf]
939 RUN434 BENZO_301_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
940 RUN129 BENZO_128_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.10 ± 0.09 works [png] [pdf] convergence [png] [pdf]
941 RUN1019 BENZO_256_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 4.12 ± 0.07 works [png] [pdf] convergence [png] [pdf]
942 RUN746 BENZO_75_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
943 RUN164 BENZO_165_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 4.13 ± 0.10 works [png] [pdf] convergence [png] [pdf]
944 RUN241 BENZO_204_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.14 ± 0.08 works [png] [pdf] convergence [png] [pdf]
945 RUN818 BENZO_147_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 4.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
946 RUN163 BENZO_163_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 4.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
947 RUN957 BENZO_227_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
948 RUN112 BENZO_111_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 4.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
949 RUN745 BENZO_72_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.16 ± 0.10 works [png] [pdf] convergence [png] [pdf]
950 RUN1097 BENZO_297_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
951 RUN360 BENZO_263_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 4.19 ± 0.10 works [png] [pdf] convergence [png] [pdf]
952 RUN259 BENZO_213_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.19 ± 0.07 works [png] [pdf] convergence [png] [pdf]
953 RUN1032 BENZO_263_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 4.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
954 RUN301 BENZO_237_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.20 ± 0.10 works [png] [pdf] convergence [png] [pdf]
955 RUN635 BENZO_467_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.20 ± 0.09 works [png] [pdf] convergence [png] [pdf]
956 RUN385 BENZO_277_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 4.21 ± 0.09 works [png] [pdf] convergence [png] [pdf]
957 RUN955 BENZO_222_2 c1ccc2c(c1)ncn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
958 RUN1291 BENZO_450_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
959 RUN32 BENZO_32_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.25 ± 0.09 works [png] [pdf] convergence [png] [pdf]
960 RUN120 BENZO_119_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
961 RUN643 BENZO_474_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
962 RUN506 BENZO_334_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
963 RUN754 BENZO_82_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
964 RUN1211 BENZO_372_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.33 ± 0.09 works [png] [pdf] convergence [png] [pdf]
965 RUN634 BENZO_466_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
966 RUN1056 BENZO_276_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.35 ± 0.10 works [png] [pdf] convergence [png] [pdf]
967 RUN946 BENZO_221_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 4.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
968 RUN412 BENZO_293_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
969 RUN800 BENZO_129_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
970 RUN36 BENZO_35_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
971 RUN891 BENZO_192_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
972 RUN69 BENZO_66_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.40 ± 0.10 works [png] [pdf] convergence [png] [pdf]
973 RUN917 BENZO_209_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.43 ± 0.09 works [png] [pdf] convergence [png] [pdf]
974 RUN1076 BENZO_286_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.44 ± 0.08 works [png] [pdf] convergence [png] [pdf]
975 RUN897 BENZO_194_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.49 ± 0.09 works [png] [pdf] convergence [png] [pdf]
976 RUN1026 BENZO_260_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
977 RUN1016 BENZO_257_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 4.51 ± 0.07 works [png] [pdf] convergence [png] [pdf]
978 RUN70 BENZO_71_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
979 RUN963 BENZO_228_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.53 ± 0.07 works [png] [pdf] convergence [png] [pdf]
980 RUN918 BENZO_206_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.53 ± 0.10 works [png] [pdf] convergence [png] [pdf]
981 RUN1112 BENZO_303_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
982 RUN249 BENZO_207_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 4.55 ± 0.10 works [png] [pdf] convergence [png] [pdf]
983 RUN801 BENZO_128_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.57 ± 0.10 works [png] [pdf] convergence [png] [pdf]
984 RUN30 BENZO_31_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.59 ± 0.09 works [png] [pdf] convergence [png] [pdf]
985 RUN86 BENZO_87_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 4.60 ± 0.09 works [png] [pdf] convergence [png] [pdf]
986 RUN983 BENZO_239_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
987 RUN793 BENZO_118_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.62 ± 0.09 works [png] [pdf] convergence [png] [pdf]
988 RUN442 BENZO_305_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.62 ± 0.08 works [png] [pdf] convergence [png] [pdf]
989 RUN1008 BENZO_250_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
990 RUN909 BENZO_202_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.63 ± 0.08 works [png] [pdf] convergence [png] [pdf]
991 RUN910 BENZO_205_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 4.64 ± 0.09 works [png] [pdf] convergence [png] [pdf]
992 RUN295 BENZO_232_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.64 ± 0.09 works [png] [pdf] convergence [png] [pdf]
993 RUN432 BENZO_301_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.65 ± 0.10 works [png] [pdf] convergence [png] [pdf]
994 RUN245 BENZO_209_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.65 ± 0.08 works [png] [pdf] convergence [png] [pdf]
995 RUN966 BENZO_230_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.65 ± 0.07 works [png] [pdf] convergence [png] [pdf]
996 RUN125 BENZO_123_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
997 RUN315 BENZO_241_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
998 RUN1295 BENZO_456_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.69 ± 0.10 works [png] [pdf] convergence [png] [pdf]
999 RUN1215 BENZO_376_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.70 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1000 RUN786 BENZO_115_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1001 RUN1271 BENZO_433_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 4.73 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1002 RUN1252 BENZO_413_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c5ccccc5n[nH]4 [svg] [sdf] [pdb] 4.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1003 RUN906 BENZO_200_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.74 ± 0.06 works [png] [pdf] convergence [png] [pdf]
1004 RUN953 BENZO_223_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 4.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1005 RUN248 BENZO_208_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.76 ± 0.07 works [png] [pdf] convergence [png] [pdf]
1006 RUN322 BENZO_244_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 4.78 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1007 RUN974 BENZO_236_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.79 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1008 RUN139 BENZO_139_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1009 RUN936 BENZO_217_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 4.81 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1010 RUN1229 BENZO_388_1 c1ccc2c(c1)ncn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.83 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1011 RUN1089 BENZO_291_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 4.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1012 RUN224 BENZO_196_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.85 ± 0.06 works [png] [pdf] convergence [png] [pdf]
1013 RUN225 BENZO_197_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.85 ± 0.07 works [png] [pdf] convergence [png] [pdf]
1014 RUN289 BENZO_226_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 4.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1015 RUN751 BENZO_81_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 4.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1016 RUN1220 BENZO_381_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3cnc4c3cccc4 [svg] [sdf] [pdb] 4.88 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1017 RUN861 BENZO_178_2 c1ccc2c(c1)nnn2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 4.89 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1018 RUN641 BENZO_472_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.90 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1019 RUN1296 BENZO_454_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.91 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1020 RUN1148 BENZO_323_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 4.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1021 RUN296 BENZO_230_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1022 RUN440 BENZO_304_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 4.96 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1023 RUN1159 BENZO_326_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 5.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1024 RUN426 BENZO_296_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 4.99 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1025 RUN231 BENZO_198_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.00 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1026 RUN276 BENZO_222_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 5.02 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1027 RUN167 BENZO_167_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 5.03 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1028 RUN66 BENZO_69_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.03 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1029 RUN890 BENZO_193_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 5.04 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1030 RUN788 BENZO_114_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1031 RUN433 BENZO_300_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 5.06 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1032 RUN567 BENZO_399_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 5.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1033 RUN271 BENZO_221_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 5.11 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1034 RUN1051 BENZO_272_2 c1ccn2c(c1)c(nn2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 5.12 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1035 RUN332 BENZO_250_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 5.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1036 RUN329 BENZO_248_1 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 5.14 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1037 RUN991 BENZO_243_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1038 RUN1009 BENZO_251_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 5.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1039 RUN734 BENZO_63_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.15 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1040 RUN238 BENZO_205_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 5.15 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1041 RUN310 BENZO_239_1 Cc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.16 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1042 RUN91 BENZO_91_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 5.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1043 RUN964 BENZO_230_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1044 RUN1298 BENZO_461_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1045 RUN269 BENZO_219_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 5.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1046 RUN913 BENZO_203_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.20 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1047 RUN888 BENZO_193_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4c5ccccc5nn4 [svg] [sdf] [pdb] 5.21 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1048 RUN1155 BENZO_324_2 COc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 5.22 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1049 RUN975 BENZO_236_2 Cc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.22 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1050 RUN422 BENZO_295_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1051 RUN1158 BENZO_327_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 5.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1052 RUN228 BENZO_199_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.24 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1053 RUN1272 BENZO_431_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c5ccccn5nn4 [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1054 RUN736 BENZO_62_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.26 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1055 RUN1336 BENZO_497_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4nnc5n4cccc5 [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1056 RUN797 BENZO_122_1 c1ccc2c(c1)c(c[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1057 RUN822 BENZO_153_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1058 RUN1033 BENZO_263_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1059 RUN639 BENZO_470_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1060 RUN1287 BENZO_449_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1061 RUN396 BENZO_282_1 CN(C)c1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.37 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1062 RUN319 BENZO_243_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1063 RUN1161 BENZO_329_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 5.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1064 RUN1278 BENZO_439_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3c4ccccn4nn3 [svg] [sdf] [pdb] 5.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1065 RUN65 BENZO_64_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 5.44 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1066 RUN617 BENZO_448_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.44 ± 0.06 works [png] [pdf] convergence [png] [pdf]
1067 RUN264 BENZO_217_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 5.45 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1068 RUN1152 BENZO_325_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 5.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1069 RUN959 BENZO_229_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.47 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1070 RUN232 BENZO_201_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.48 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1071 RUN127 BENZO_126_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.48 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1072 RUN713 BENZO_40_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.51 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1073 RUN300 BENZO_237_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.53 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1074 RUN624 BENZO_454_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.53 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1075 RUN626 BENZO_461_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.54 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1076 RUN278 BENZO_223_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 5.54 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1077 RUN237 BENZO_203_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1078 RUN712 BENZO_41_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.59 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1079 RUN1289 BENZO_448_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1080 RUN1085 BENZO_292_1 Cc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.61 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1081 RUN429 BENZO_298_2 COc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1082 RUN74 BENZO_75_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1083 RUN1065 BENZO_279_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 5.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1084 RUN773 BENZO_100_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c4ccccn4nn3 [svg] [sdf] [pdb] 5.66 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1085 RUN967 BENZO_233_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 5.66 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1086 RUN628 BENZO_458_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 5.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1087 RUN114 BENZO_115_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1088 RUN781 BENZO_108_1 c1ccn2c(c1)c(nn2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 5.68 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1089 RUN1078 BENZO_289_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 5.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1090 RUN992 BENZO_245_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 5.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1091 RUN331 BENZO_248_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 5.72 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1092 RUN397 BENZO_282_2 CN(C)c1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.74 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1093 RUN297 BENZO_233_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 5.75 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1094 RUN1306 BENZO_467_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1095 RUN143 BENZO_145_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 5.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1096 RUN1146 BENZO_318_2 c1ccn2c(c1)nnc2NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 5.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1097 RUN1105 BENZO_301_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 5.86 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1098 RUN58 BENZO_59_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.87 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1099 RUN714 BENZO_43_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1100 RUN894 BENZO_197_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 5.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1101 RUN631 BENZO_465_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.91 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1102 RUN1144 BENZO_319_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 5.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1103 RUN1250 BENZO_411_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 5.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1104 RUN620 BENZO_453_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.93 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1105 RUN1290 BENZO_451_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 5.9 ± 0.2 works [png] [pdf] convergence [png] [pdf]
1106 RUN806 BENZO_137_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 5.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1107 RUN284 BENZO_227_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.94 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1108 RUN1246 BENZO_407_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c4ccccc4n[nH]3 [svg] [sdf] [pdb] 5.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1109 RUN1216 BENZO_375_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cn4cnc5c4cccc5 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1110 RUN798 BENZO_126_1 Cc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1111 RUN1116 BENZO_306_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1112 RUN63 BENZO_62_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 5.98 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1113 RUN148 BENZO_147_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1114 RUN119 BENZO_118_1 CCC(=O)Nc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1115 RUN996 BENZO_246_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1116 RUN627 BENZO_460_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.02 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1117 RUN1057 BENZO_274_1 c1ccn2c(c1)c(nn2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1118 RUN1300 BENZO_459_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1119 RUN718 BENZO_47_1 Cn1cc(cn1)CN(c2ccc(cc2)OC)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1120 RUN638 BENZO_473_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 6.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1121 RUN735 BENZO_65_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 6.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1122 RUN923 BENZO_207_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 6.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1123 RUN1111 BENZO_305_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 6.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1124 RUN633 BENZO_464_1 COc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1125 RUN1292 BENZO_453_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.13 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1126 RUN833 BENZO_160_1 c1ccn2c(c1)nnc2NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 6.14 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1127 RUN637 BENZO_468_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 6.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1128 RUN1103 BENZO_299_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1129 RUN1293 BENZO_452_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.20 ± 0.07 works [png] [pdf] convergence [png] [pdf]
1130 RUN1167 BENZO_331_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 6.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1131 RUN333 BENZO_251_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 6.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1132 RUN277 BENZO_225_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 6.26 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1133 RUN1317 BENZO_475_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 6.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1134 RUN1303 BENZO_463_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1135 RUN1069 BENZO_283_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1136 RUN729 BENZO_55_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 6.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1137 RUN629 BENZO_459_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 6.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1138 RUN1168 BENZO_333_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 6.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1139 RUN776 BENZO_105_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 6.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1140 RUN130 BENZO_130_1 COc1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1141 RUN1048 BENZO_273_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 6.45 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1142 RUN865 BENZO_181_2 Cc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3c4ccccc4nn3 [svg] [sdf] [pdb] 6.49 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1143 RUN1092 BENZO_294_1 Cc1ccc(cc1)[C@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.55 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1144 RUN435 BENZO_300_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 6.55 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1145 RUN1311 BENZO_472_1 c1ccc2c(c1)c(c[nH]2)CC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 6.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1146 RUN823 BENZO_152_1 Cc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3nnc4n3cccc4 [svg] [sdf] [pdb] 6.60 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1147 RUN794 BENZO_125_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.61 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1148 RUN287 BENZO_229_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 6.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1149 RUN785 BENZO_112_1 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1150 RUN740 BENZO_67_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 6.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1151 RUN971 BENZO_231_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 6.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1152 RUN1145 BENZO_319_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 6.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1153 RUN636 BENZO_469_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 6.7 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1154 RUN80 BENZO_79_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 6.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1155 RUN293 BENZO_233_1 c1ccc(cc1)C[C@@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 6.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1156 RUN1082 BENZO_287_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.83 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1157 RUN784 BENZO_113_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1158 RUN778 BENZO_107_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccn5nn4 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1159 RUN916 BENZO_209_1 Cc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 6.86 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1160 RUN401 BENZO_284_1 CCC(=O)Nc1ccc(cc1)[C@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.90 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1161 RUN993 BENZO_245_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c5ccccc5[nH]n4 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1162 RUN618 BENZO_451_1 Cn1cc(cn1)CN(c2ccc(cc2)N(C)C)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1163 RUN810 BENZO_138_1 c1ccc2c(c1)c(c[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1164 RUN839 BENZO_167_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4nnc5n4cccc5 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1165 RUN1297 BENZO_455_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1166 RUN632 BENZO_463_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1167 RUN623 BENZO_455_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1168 RUN615 BENZO_449_1 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 6.96 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1169 RUN285 BENZO_227_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 7.00 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1170 RUN811 BENZO_139_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1171 RUN622 BENZO_457_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.04 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1172 RUN1077 BENZO_286_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.07 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1173 RUN431 BENZO_299_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)OC)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.14 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1174 RUN621 BENZO_452_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.17 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1175 RUN404 BENZO_286_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1176 RUN921 BENZO_207_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 7.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1177 RUN443 BENZO_304_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 7.25 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1178 RUN1113 BENZO_305_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1179 RUN790 BENZO_121_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1180 RUN132 BENZO_133_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.31 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1181 RUN930 BENZO_213_2 COc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 7.31 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1182 RUN938 BENZO_217_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nn4cnc5c4cccc5 [svg] [sdf] [pdb] 7.31 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1183 RUN128 BENZO_129_1 COc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.39 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1184 RUN407 BENZO_288_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 7.41 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1185 RUN958 BENZO_229_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 7.43 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1186 RUN1081 BENZO_289_2 c1ccc(cc1)C[C@H](c2ccc(cc2)N3CCCCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1187 RUN1106 BENZO_300_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 7.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1188 RUN645 BENZO_475_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCOCC3)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1189 RUN392 BENZO_280_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.57 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1190 RUN1060 BENZO_281_1 CN(C)c1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.58 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1191 RUN640 BENZO_471_1 Cn1cc(cn1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Cc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1192 RUN925 BENZO_211_2 Cc1ccc(cc1)[C@@H](Cc2cnn(c2)C)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 7.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1193 RUN984 BENZO_241_1 COc1ccc(cc1)[C@H](Cc2ccccc2)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 7.6 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1194 RUN943 BENZO_220_1 c1ccc2c(c1)ncn2NC(=O)[C@@H](Cc3ccsc3)c4ccc(cc4)N5CCOCC5 [svg] [sdf] [pdb] 7.62 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1195 RUN969 BENZO_232_2 c1ccc2c(c1)c(n[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 7.64 ± 0.10 works [png] [pdf] convergence [png] [pdf]
1196 RUN399 BENZO_283_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N(C)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 7.69 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1197 RUN933 BENZO_215_2 Cn1cc(cn1)C[C@H](c2ccc(cc2)OC)C(=O)Nn3cnc4c3cccc4 [svg] [sdf] [pdb] 7.8 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1198 RUN804 BENZO_133_1 c1ccc(cc1)CN(c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 7.9 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1199 RUN410 BENZO_288_2 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@H](Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 7.93 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1200 RUN791 BENZO_120_1 c1ccc2c(c1)c(c[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb] 8.0 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1201 RUN436 BENZO_302_1 c1ccc2c(c1)c(c[nH]2)NC(=O)[C@@H](Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 8.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1202 RUN122 BENZO_125_1 Cc1ccc(cc1)N(Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.13 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1203 RUN789 BENZO_116_1 CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.13 ± 0.07 works [png] [pdf] convergence [png] [pdf]
1204 RUN403 BENZO_284_2 CCC(=O)Nc1ccc(cc1)[C@@H](Cc2ccsc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1205 RUN1122 BENZO_307_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCOCC3)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 8.1 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1206 RUN1110 BENZO_303_1 Cn1cc(cn1)C[C@@H](c2ccc(cc2)N3CCCCC3=O)C(=O)Nc4c[nH]c5c4cccc5 [svg] [sdf] [pdb] 8.2 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1207 RUN115 BENZO_114_1 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.18 ± 0.08 works [png] [pdf] convergence [png] [pdf]
1208 RUN388 BENZO_281_2 CN(C)c1ccc(cc1)[C@@H](Cc2ccccc2)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.23 ± 0.09 works [png] [pdf] convergence [png] [pdf]
1209 RUN126 BENZO_127_1 Cc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1210 RUN64 BENZO_63_1 CCC(=O)Nc1ccc(cc1)N(Cc2cnn(c2)C)C(=O)Nc3c4ccccc4[nH]n3 [svg] [sdf] [pdb] 8.3 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1211 RUN1093 BENZO_294_2 Cc1ccc(cc1)[C@@H](Cc2cccc(c2)Cl)C(=O)Nc3c[nH]c4c3cccc4 [svg] [sdf] [pdb] 8.4 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1212 RUN749 BENZO_76_1 c1ccc2c(c1)c(n[nH]2)NC(=O)N(Cc3ccsc3)c4ccc(cc4)N5CCCCC5=O [svg] [sdf] [pdb] 8.5 ± 0.1 works [png] [pdf] convergence [png] [pdf]
1213 RUN124 BENZO_122_1 c1ccc2c(c1)c(c[nH]2)NC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)N5CCCCC5 [svg] [sdf] [pdb]