├── README.md ├── logd74.tsv └── logo.png /README.md: -------------------------------------------------------------------------------- 1 | # logD7.4 of 1,130 Compounds logo 2 | 3 | This repository archives a high-quality hand-curated [lipophilicity dataset](logd74.tsv) that includes the chemical structure (SMILES) of 1,130 organic compounds and their _n_-octanol/buffer solution distribution coefficients at pH 7.4 (logD7.4), originally curated by [our paper](http://onlinelibrary.wiley.com/doi/10.1002/cem.2718/full) ([PDF](https://nanx.me/papers/logd.pdf)). 4 | 5 | ## About logD7.4 6 | 7 | As a determinant of several ADME properties, lipophilicity (logD7.4) is a key physical property in the development of small molecule oral drugs. This dataset can be applied for method benchmarking in regression modeling, cheminformatics, and chemometrics research. 8 | 9 | ## Paper Citation 10 | 11 | If you find this dataset useful in your research, please cite our paper: 12 | 13 | Formatted citation: 14 | 15 | Wang, J-B., D-S. Cao, M-F. Zhu, Y-H. Yun, N. Xiao, Y-Z. Liang (2015). _In silico_ evaluation of logD7.4 and comparison with other prediction methods. _Journal of Chemometrics_, 29(7), 389-398. 16 | 17 | BibTeX entry: 18 | 19 | ``` 20 | @article{logd2015, 21 | title={\textit{In silico} evaluation of $\text{logD}_{7.4}$ and comparison with other prediction methods}, 22 | author={Wang, Jian-Bing and Cao, Dong-Sheng and Zhu, Min-Feng and Yun, Yong-Huan and Xiao, Nan and Liang, Yi-Zeng}, 23 | journal={Journal of Chemometrics}, 24 | volume={29}, 25 | number={7}, 26 | pages={389--398}, 27 | year={2015}, 28 | publisher={Wiley Online Library} 29 | } 30 | ``` 31 | -------------------------------------------------------------------------------- /logd74.tsv: -------------------------------------------------------------------------------- 1 | ID SMILES logD7.4 2 | A-logD7.4-100 Fc1cc2c(N(C=C(C(O)=O)C2=O)C2CC2)cc1N1CCNCC1 -0.96 3 | A-logD7.4-101 S1(=O)(=O)N(CCN1C)c1cc2c([nH]cc2CCN(C)C)cc1 -0.92 4 | A-logD7.4-104 OC=1C(=O)C=CN(CCCO)C=1C -0.9 5 | A-logD7.4-105 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccccc2C)cc1N1CCNCC1 -0.83 6 | A-logD7.4-106 OC=1C(=O)C=CN(CCC(=O)NCC)C=1C -0.82 7 | A-logD7.4-108 Fc1cc2c(N(C=C(C(O)=O)C2=O)C2CC2)c(OC)c1N1CC(NCC1)C -0.79 8 | A-logD7.4-109 S1(=O)(=O)NCC(N1Cc1cc2c([nH]cc2CCN(C)C)cc1)(C)C -0.78 9 | A-logD7.4-110 OC=1C(=O)C=CN(CCC(OC)=O)C=1C -0.77 10 | A-logD7.4-111 OC=1C(=O)C=CN(CC(O)(C)C)C=1C -0.77 11 | A-logD7.4-112 OC=1C(=O)C=CN(C)C=1C -0.77 12 | A-logD7.4-113 [nH]1cc(c2cc(ccc12)Cc1ncnn1C)CCN(C)C -0.75 13 | A-logD7.4-114 OC=1C(=O)C=CN(CCCCO)C=1C -0.75 14 | A-logD7.4-115 [nH]1cc(c2cc(ccc12)Cn1ncnc1)CCN(C)C -0.74 15 | A-logD7.4-117 Fc1cc(F)ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CC(NC(C3)C)C)cc12 -0.73 16 | A-logD7.4-118 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(cc2)C)cc1N1CCNCC1 -0.73 17 | A-logD7.4-122 [nH]1cc(c2cc(ccc12)Cn1nncc1)CCN(C)C -0.7 18 | A-logD7.4-123 S1(=O)(=O)N(CCN1C)Cc1cc2c([nH]cc2CCN(C)C)cc1 -0.68 19 | A-logD7.4-126 OC=1C(=O)C=CN(CCC(=O)N(CC)C)C=1C -0.67 20 | A-logD7.4-127 OC=1C(=O)C=CN(CCO)C=1CC -0.66 21 | A-logD7.4-128 [nH]1cc(c2cc(ccc12)Cn1nnnc1)CCN(C)C -0.64 22 | A-logD7.4-131 S(=O)(=O)(C)c1cc(ccc1)-c1nc(n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1)C(C)C.[Na+] -0.6 23 | A-logD7.4-132 S1(=O)(=O)N(CCN1C)CCc1cc2c([nH]cc2CCN(C)C)cc1 -0.57 24 | A-logD7.4-133 Clc1cc(Cl)ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNCC3)cc12 -0.55 25 | A-logD7.4-138 OC(=O)C(NC(=O)C(N)Cc1c2c([nH]c1)cccc2)Cc1ccccc1 -0.52 26 | A-logD7.4-141 [nH]1cc(c2cc(ccc12)Cc1nn(nn1)C)CCN(C)C -0.51 27 | A-logD7.4-142 Oc1c(nccc1O)C -0.5 28 | A-logD7.4-143 O=C(N[C@H](CCc1ccccc1)C(=O)Nc1cc2c(nccc2)cc1)[C@@H]1N(C[C@H](C1)CN)C(=O)CN -0.5 29 | A-logD7.4-144 S(Cc1oc(cc1)CN(C)C)CCNC(NC)=C[N+](=O)[O-] -0.39 30 | A-logD7.4-145 Fc1cc(F)ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNCC3)cc12 -0.48 31 | A-logD7.4-146 OC=1C(=O)C=CN(CCC(=O)NC(C)C)C=1C -0.47 32 | A-logD7.4-147 OC=1C(=O)C=CN(CC(OC)OC)C=1C -0.46 33 | A-logD7.4-148 [Na+].Fc1ccc(cc1)-c1n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(nc1-c1cccnc1)C(C)C -0.43 34 | A-logD7.4-149 Fc1cc2c3N(C=C(C(O)=O)C2=O)[C@H](COc3c1N1CCN(CC1)C)C -0.43 35 | A-logD7.4-15 OC=1C(=O)C=CN(CCC(O)=O)C=1C -2.92 36 | A-logD7.4-150 [nH]1cc(c2cc(ccc12)Cc1nnnn1CC)CCN(C)C -0.43 37 | A-logD7.4-152 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(F)cc2C)cc1N1CCNCC1 -0.43 38 | A-logD7.4-153 [nH]1c2c(cc1)C(N(CC2C)C)C -0.41 39 | A-logD7.4-154 OC=1C(=O)C=CN(CCOC)C=1C -0.41 40 | A-logD7.4-155 OC=1C(=O)C=CN(CCC(=O)NCCC)C=1C -0.4 41 | A-logD7.4-157 S1(=O)(=O)NC(CN1Cc1cc2c([nH]cc2CCN(C)C)cc1)(C)C -0.39 42 | A-logD7.4-159 OC=1C(=O)C=CN(CCC(=O)N(CC)CC)C=1C -0.36 43 | A-logD7.4-162 [nH]1cc(c2cc(-n3ncnc3)ccc12)CCN(C)C -0.34 44 | A-logD7.4-163 [nH]1cc(c2cc(ccc12)Cn1ncnn1)CCN(C)C -0.34 45 | A-logD7.4-164 s1c2c(S(=O)(=O)N(C)\C(=C(/O)\Nc3ncccc3)\C2=O)cc1 -0.32 46 | A-logD7.4-165 OC=1C(=O)C=CN(CCCO)C=1CC -0.32 47 | A-logD7.4-166 OC=1C(=O)C=CN(CC)C=1C -0.31 48 | A-logD7.4-169 OC=1C(=O)C=CN(CCCCO)C=1CC -0.28 49 | A-logD7.4-170 OC=1C(=O)C=CN(C(COC)C)C=1C -0.26 50 | A-logD7.4-171 OC=1C(=O)C=CN(CCC(OCC)=O)C=1C -0.24 51 | A-logD7.4-172 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccccc2F)cc1N1CC(NC(C1)C)C -0.23 52 | A-logD7.4-173 OC=1C(=O)C=CN(C)C=1CC -0.21 53 | A-logD7.4-174 n12C=CC=Nc1ncc2 -0.2 54 | A-logD7.4-175 O(CC[C@H](CC1(CCCC1)C(=O)NC1(Cc2c(C1)cccc2)CO)C(O)=O)C -0.2 55 | A-logD7.4-176 [nH]1cc(c2cc(ccc12)Cn1nccn1)CCN(C)C -0.2 56 | A-logD7.4-178 Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N -0.19 57 | A-logD7.4-180 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccccc2C)cc1N1CC(NC(C1)C)C -0.17 58 | A-logD7.4-181 Fc1cc2c(N(C=C(C(O)=O)C2=O)C2CC2)c(OC)c1N1C[C@H]2[C@H](NCCC2)C1 -0.16 59 | A-logD7.4-183 [nH]1cc(c2cc(-n3ccnc3C)ccc12)CCN(C)C -0.13 60 | A-logD7.4-185 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccccc2)cc1N1CC(NC(C1)C)C -0.12 61 | A-logD7.4-187 S1(=O)(=O)N(C)C(C(=O)Nc2ncccc2)=C(O)c2c1cccc2 -0.08 62 | A-logD7.4-189 O1[C@@H]2[C@]34[C@H]([C@H](N(CC3)C)Cc3c4c1c(O)cc3)C=C[C@@H]2O -0.06 63 | A-logD7.4-19 OC=1C(=O)C=CN(CCCC(O)=O)C=1C -2.75 64 | A-logD7.4-191 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(cc2C)C)cc1N1CCNCC1 -0.07 65 | A-logD7.4-192 [Na+].Fc1ccc(cc1)-c1n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(nc1-c1cc(NC)ccc1)C(C)C -0.05 66 | A-logD7.4-193 OC(=O)C(C)c1cc(ccc1)\C(=N/O)\c1ccccc1 -0.04 67 | A-logD7.4-194 Clc1cc(Cl)ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CC(NC(C3)C)C)cc12 -0.03 68 | A-logD7.4-195 S1(=O)(=O)N(CCCN1C)Cc1cc2c([nH]cc2CCN(C)C)cc1 -0.02 69 | A-logD7.4-199 OC(=O)C(C)c1cc(ccc1)C(=O)c1ccccc1 0.008 70 | A-logD7.4-200 [nH]1cc(c2cc(ccc12)Cc1nn(nn1)CC)CCN(C)C 0.02 71 | A-logD7.4-201 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(cc2C)C)cc1N1CC(NC(C1)C)C 0.02 72 | A-logD7.4-202 OC=1C(=O)C=CN(CC=C)C=1C 0.03 73 | A-logD7.4-204 OC=1C(=O)C=CN(CCOC)C=1CC 0.04 74 | A-logD7.4-206 O1N(COC(=O)C(C)(C)C)C(=O)C2=C1CCCC2NC 0.05 75 | A-logD7.4-207 OC=1C(=O)C=CN(C(C)C)C=1C 0.05 76 | A-logD7.4-208 o1c2CCN(CCc2nc1N)CC 0.05 77 | A-logD7.4-210 s1c2c(nc1CN1N=C(c3c(cccc3)C1=O)CC(O)=O)cc(F)cc2F 0.05 78 | A-logD7.4-211 Oc1c(nccc1O)CC 0.05 79 | A-logD7.4-212 O(C)c1cc2c(cc(cc2)[C@@H](C(O)=O)C)cc1 0.19 80 | A-logD7.4-217 [nH]1nc(nc1N)-c1cc(ncc1)N 0.11 81 | A-logD7.4-219 OC=1C(=O)C=CN(CCCOCC)C=1C 0.12 82 | A-logD7.4-221 S1(=O)(=O)N(CCN1C(C)C)Cc1cc2c([nH]cc2CCN(C)C)cc1 0.16 83 | A-logD7.4-222 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(cc2)C)cc1N1CC(NC(C1)C)C 0.16 84 | A-logD7.4-225 OC=1C(=O)C=CN(CCC)C=1C 0.18 85 | A-logD7.4-227 S1(=O)(=O)N(C)C(C(=O)N(C)c2ncccc2)=C(O)c2c1cccc2 0.2 86 | A-logD7.4-229 O1C(=O)c2c(N=C1N[C@@H](CC(=O)N)C(=O)NC(C)C)cccc2 0.2 87 | A-logD7.4-230 O(CCC1N(CCCC1)C(=O)[C@H](NCC(O)=O)CC1CCCCC1)C1CCN(CC1)C(N)=N 0.2 88 | A-logD7.4-231 OC=1C(=O)C=CN(CC(OCC)OCC)C=1C 0.21 89 | A-logD7.4-232 O1[C@@H]2[C@]34[C@H]([C@H](N(CC3)C)Cc3c4c1c(OC)cc3)C=C[C@@H]2O 0.22 90 | A-logD7.4-236 S(=O)(=O)(Nc1ccc(cc1)Cc1nc(on1)-c1cc2c([nH]cc2CCN)cc1)C 0.25 91 | A-logD7.4-238 Oc1cc2n(ncc2cc1)CCN 0.254 92 | A-logD7.4-24 Oc1ccc(cc1)C[C@H](NC(=O)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N -2.59 93 | A-logD7.4-242 [Re-]123(SCCN1C(=O)C[N+]2(CCS3)CCCNCC)[OH2+] 0.3 94 | A-logD7.4-243 O(C)c1ccc(cc1)[C@@H]1C[C@H]1NC(=O)C1(CCCC1)C[C@@H](CCOC)C(O)=O 0.3 95 | A-logD7.4-244 S(=O)(=O)(C)c1c2nccc(c2ccc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 0.3 96 | A-logD7.4-248 Brc1c2nccnc2ccc1NC=1NCCN=1 0.31 97 | A-logD7.4-249 Fc1cc(ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CC(NC(C3)C)C)cc12)C 0.31 98 | A-logD7.4-250 Fc1cc(ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNCC3)cc12)C 0.31 99 | A-logD7.4-251 [Cl-].o1cc(cc1)C1(C2c3cc(O)ccc3C([n+]3c2cccc3)C1)c1ccoc1 0.32 100 | A-logD7.4-256 Clc1ccccc1CNC(=O)Nc1ccsc1-c1nc(C(O)=O)c(O)c(O)n1 0.37 101 | A-logD7.4-257 Fc1c2n(ncc2ccc1O)C[C@@H](N)C 0.394 102 | A-logD7.4-258 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)C(=O)CC(O)=O)cc1 0.4 103 | A-logD7.4-259 O(CC[C@H]1N(CCCC1)C(=O)[C@H](NCC(O)=O)CC1CCCCC1)c1ccc(cc1)C(N)=N 0.4 104 | A-logD7.4-261 Clc1cc(Cl)ccc1-c1nc(nc(N)c1CN)N 0.4 105 | A-logD7.4-262 O1C(=O)c2c(N=C1N1CCCC1C(=O)N)cccc2 0.4 106 | A-logD7.4-265 S1(=O)(=O)N(CCN1Cc1cc2c([nH]cc2CCN(C)C)cc1)Cc1ccc(NC(=O)C)cc1 0.42 107 | A-logD7.4-269 OC=1C(=O)C=CN(CC=C)C=1CC 0.47 108 | A-logD7.4-271 O=C1N(c2nc(nc(c2CC1)C)C)Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 0.49 109 | A-logD7.4-275 O=C(N[C@H](CCc1ccccc1)C(=O)Nc1cc2c(nccc2)cc1)[C@@H]1N(C[C@@H](N)C1)C(=O)CN 0.5 110 | A-logD7.4-276 Fc1c2nccc(c2ccc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 0.5 111 | A-logD7.4-279 s1c(nnc1NC(=O)C1(CCCC1)C[C@@H](CCC)C(O)=O)CC 0.5 112 | A-logD7.4-280 O=C(N[C@H](CCc1ccccc1)C(=O)Nc1cc2c(nccc2)cc1)[C@@H]1NC[C@H](C1)CN 0.5 113 | A-logD7.4-282 S(=O)(=O)(Nc1ccc(cc1)Cc1nc(on1)Cc1cc2c([nH]cc2CCN(C)C)cc1)C 0.5 114 | A-logD7.4-286 O(C)c1c2nccc(c2ccc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 0.5 115 | A-logD7.4-288 Fc1ccc(cc1)CCCNC(=O)C1(CCCC1)C[C@@H](CCOC)C(O)=O 0.5 116 | A-logD7.4-29 OC(=O)CC[C@H](NC(=O)c1ccc(N(Cc2nc3c(nc(nc3N)N)nc2)C)cc1)C(O)=O -2.73 117 | A-logD7.4-291 s1c2c(nc1CN1N=C(c3c(cccc3)C1=O)CC(O)=O)cc(cc2)C(F)(F)F 0.55 118 | A-logD7.4-294 n1ccccc1 0.57 119 | A-logD7.4-295 OC(C)(C)C=1C=Cn2c(ncc2)C=1 0.6 120 | A-logD7.4-296 o1nc(nc1[C@H](CCCC1CCCCC1)CC(=O)NO)-c1nccc(c1)C(O)=O 0.6 121 | A-logD7.4-298 Clc1cccc(C)c1CNC(=O)Nc1ccsc1-c1nc(C(O)=O)c(O)c(O)n1 0.6 122 | A-logD7.4-299 o1nc(nc1-c1cc2c([nH]cc2CCN)cc1)C1CC1 0.6 123 | A-logD7.4-300 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(CC)c1ccncc1 0.6 124 | A-logD7.4-301 O1[C@@H]2[C@]34C([C@H](N(CC3)C)Cc3c4c1c(O)cc3)C=C[C@@H]2OC(=O)C 0.61 125 | A-logD7.4-304 Fc1ncc(cc1-c1ccc(nc1)C#N)[C@@H]1[C@@H]2N([C@@H](C1)CC2)C 0.64 126 | A-logD7.4-306 OC=1C(=O)C=CN(CC(C)C)C=1C 0.65 127 | A-logD7.4-308 O=Cc1[nH]c2c(c1)C(N(CC2C)C)C 0.69 128 | A-logD7.4-309 Oc1cc2n(ncc2cc1)C[C@@H](N)C 0.693 129 | A-logD7.4-310 OC=1C(=O)C=CN(CCC)C=1CC 0.7 130 | A-logD7.4-311 OC=1C(=O)C=CN(CCCC)C=1C 0.7 131 | A-logD7.4-312 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1cc(ccc1)C(=O)N(OCC)C 0.7 132 | A-logD7.4-313 [Na+].Fc1ccc(cc1)-c1n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(nc1-c1ccc(F)cc1)C(C)C 0.72 133 | A-logD7.4-315 OC=1C(=O)C=CN(CCCOCC)C=1CC 0.72 134 | A-logD7.4-317 OC=1C(=O)C=CN(C(C)C)C=1CC 0.73 135 | A-logD7.4-318 [Na+].Fc1ccc(cc1)-c1n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(nc1-c1ccc(F)cc1)C(F)(F)F 0.73 136 | A-logD7.4-319 [Cl-].Fc1cc2C3c4[n+](C(CC3(c3ccoc3)c3ccoc3)c2cc1)cccc4 0.75 137 | A-logD7.4-322 O(C)c1ccc(cc1)C[C@H](NC[C@H](O)c1cc(NC=O)c(O)cc1)C 0.79 138 | A-logD7.4-323 OC(=O)c1cc2n(CC(=O)N(C)C)c(c(c2nc1)C1CCCCC1)-c1ccccc1 0.8 139 | A-logD7.4-326 n12c(ncc1)C=CC=C2 0.8 140 | A-logD7.4-327 [Na+].Fc1ccc(cc1)-c1nc(n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C)-c1ccc(F)cc1 0.83 141 | A-logD7.4-328 O1[C@@H]2[C@]34C([C@H](N(CC3)C)Cc3c4c1c(OC(=O)C)cc3)C=C[C@@H]2OC(=O)C 0.85 142 | A-logD7.4-331 [Na+].Fc1cc(C)c(cc1)-c1n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c(nc1-c1ccc(F)cc1)C(C)C 0.86 143 | A-logD7.4-332 N(Cc1ccccc1)C 0.86 144 | A-logD7.4-333 O(C)c1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 0.88 145 | A-logD7.4-334 O=C1N(c2c(cccc2)C(=NC1NC(=O)Nc1cc(ccc1)C(O)=O)C1CCCCC1)C 0.89 146 | A-logD7.4-335 O=C1N(c2c(cccc2)C(=N[C@H]1NC(=O)Nc1cc(Nc2nn[nH]n2)ccc1)c1ccccc1)C 0.89 147 | A-logD7.4-336 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C)c1ccsc1 0.9 148 | A-logD7.4-338 FC=1c2n(C=CC=1)ccn2 0.9 149 | A-logD7.4-341 Fc1ncc(cc1-c1ccc(F)nc1)[C@@H]1[C@@H]2N([C@@H](C1)CC2)C 0.96 150 | A-logD7.4-342 Clc1ccc(cc1)CNc1ccc(cc1)CCC(O)=O 0.98 151 | A-logD7.4-345 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1oc(C)c(c1)C 1 152 | A-logD7.4-347 Clc1ccc(cc1)CCCNC(=O)C1(CCCC1)C[C@@H](CCOC)C(O)=O 1 153 | A-logD7.4-351 OC=1C(=O)C=CN(C=1C)c1ccccc1 1.01 154 | A-logD7.4-352 Clc1ccc(OCC(O)COC(=O)CCC(=O)\C=C\OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 1.04 155 | A-logD7.4-354 OCCN(CCO)c1nnc(Nn2c(ccc2C)C)cc1 1.06 156 | A-logD7.4-355 s1c2CCN(CCc2nc1N)CC=C 1.09 157 | A-logD7.4-356 F[C@H]1C[C@H](N(C1)C(=O)Cc1cc(C)c(NC(=O)Nc2ccccc2C)cc1)COc1ccc(cc1)C(O)=O 1.09 158 | A-logD7.4-357 Clc1c2n(ncc2ccc1O)C[C@@H](N)C 1.09 159 | A-logD7.4-359 Fc1ccc(cc1)CNC(=O)\C(=C\c1ccccc1)\C(=O)NO 1.1 160 | A-logD7.4-36 s1ccnc1-c1nc(C(O)=O)c(O)c(O)n1 -2.12 161 | A-logD7.4-360 Clc1cc(Cl)ccc1C[C@@H](NC(=O)CCN)C(=O)N1CCN(CC1)c1ccccc1CNCCc1sccc1 1.1 162 | A-logD7.4-361 O=C(N[C@H](CCc1ccccc1)C(=O)Nc1cc2c(nc1)cccc2)[C@@H]1NC[C@@H](N)C1 1.1 163 | A-logD7.4-362 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1ccc(NC(=O)N(C)C)cc1 1.1 164 | A-logD7.4-363 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1cc(ccc1)C(OC)=O 1.1 165 | A-logD7.4-364 FC=1c2n(C=CC=1C(O)(C)C)ccn2 1.1 166 | A-logD7.4-365 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1ccc(cc1)CC(O)=O 1.1 167 | A-logD7.4-366 OC(=O)c1nc2n(CC(=O)N(C)C)c(c(c2cc1)C1CCCCC1)-c1ccccc1 1.1 168 | A-logD7.4-367 N(CCCC12CCC(c3c1cccc3)c1c2cccc1)C 1.12 169 | A-logD7.4-369 O=C1N(c2c(cccc2)C(=N[C@H]1NC(=O)Nc1cc(N(C)c2nn[nH]n2)ccc1)c1ccccc1)C 1.14 170 | A-logD7.4-370 O=[N+]([O-])c1[nH]c2c(c1)C(N(CC2C)C)C 1.14 171 | A-logD7.4-371 Brc1cc(Cn2nc(cc2C)C(O)=O)c(OCc2ccccc2)cc1 1.15 172 | A-logD7.4-372 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1ccc(cc1)C(OC)=O 1.17 173 | A-logD7.4-373 Clc1ccc(OCC(O)COC(=O)CCC(=O)\C=C\OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 1.18 174 | A-logD7.4-374 O1C2(OOC13CCN(CC3)C(=O)c1ccccc1C(O)=O)C1CC3CC2CC(C1)C3 1.2 175 | A-logD7.4-375 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1ccsc1 1.2 176 | A-logD7.4-376 Fc1ccc(cc1)CNC(=O)C(Cc1ccccc1)C(=O)NO 1.2 177 | A-logD7.4-378 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1cc(ccc1)C(=O)NCCOC 1.2 178 | A-logD7.4-379 O1C(=O)c2c(N=C1NC(C)C)cc(NC(=O)C)cc2 1.2 179 | A-logD7.4-380 O=C1N(c2nc(nc(c2CC1(C)C)C)C)Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 1.21 180 | A-logD7.4-381 OC=1C(=O)C=CN(CCCC)C=1CC 1.22 181 | A-logD7.4-382 S(=O)(=O)(Nc1ccc(cc1)-c1nc(on1)Cc1cc2c([nH]cc2CCN(C)C)cc1)C 1.22 182 | A-logD7.4-384 OC=1C(=O)C=CN(CCCCC)C=1C 1.24 183 | A-logD7.4-386 S(=O)(=O)(Nc1ccc(cc1)Cc1nc(on1)-c1cc2c([nH]cc2CCN(C)C)cc1)C 1.25 184 | A-logD7.4-388 Clc1ncc(cc1-c1cc(F)ncc1)[C@@H]1[C@@H]2N([C@@H](C1)CC2)C 1.26 185 | A-logD7.4-39 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccccc2F)cc1N1CCNCC1 -1.99 186 | A-logD7.4-390 O=C(Nc1c(cccc1C)C)C1N(CCCC1)C 1.27 187 | A-logD7.4-393 O1C(=Nc2c(cccc2)C1=O)C 1.3 188 | A-logD7.4-394 O(C)c1cc2CCN3[C@@H](C[C@H](N)[C@H](C3)c3cc(ccc3)C)c2cc1OC 1.3 189 | A-logD7.4-395 FC(F)(F)c1c2nccc(c2ccc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 1.3 190 | A-logD7.4-396 OC(=O)Cn1c2c(cc(cc2)C)c(-c2c3c(ncc2)c(ccc3)C)c1C 1.3 191 | A-logD7.4-397 OC(CN(CCO)c1nnc(Nn2c(ccc2C)C)cc1)C 1.3 192 | A-logD7.4-398 O(C)c1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)C(=O)CC(O)=O)cc1 1.3 193 | A-logD7.4-399 Clc1c2nccc(c2ccc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 1.3 194 | A-logD7.4-400 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C)c1ccc(cc1)C(OC)=O 1.3 195 | A-logD7.4-401 F[C@H]1C[C@H](N(C1)C(=O)Cc1cc(OC)c(NC(=O)Nc2ccccc2C)cc1)COc1ccc(cc1)C(O)=O 1.31 196 | A-logD7.4-402 F[C@H]1C[C@H](N(C1)C(=O)Cc1cc(OC)c(NC(=O)Nc2ccccc2OC)cc1)COc1ccc(cc1)C(O)=O 1.31 197 | A-logD7.4-407 N12CC(N3c4c(CCc5c3cccc5)cccc4)C(CC1)CC2 1.36 198 | A-logD7.4-409 O=C1N(c2c(cccc2)C(=N[C@H]1NC(=O)Nc1cc(Nc2nn[nH]n2)c(cc1)C)c1ccccc1)C 1.37 199 | A-logD7.4-412 O=C1N(c2c(cccc2)C(=N[C@H]1NC(=O)Nc1cc2N(CCc2cc1)c1nn[nH]n1)c1ccccc1)C 1.38 200 | A-logD7.4-417 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C#Cc1ccccc1)C 1.4 201 | A-logD7.4-419 O(CC(O)CNC(C)C)c1c2c(ccc1)cccc2O 1.4 202 | A-logD7.4-421 Clc1cc(Cl)ccc1-c1nc(nc(N)c1CN)C 1.4 203 | A-logD7.4-422 Clc1ccc(cc1)C(N1CCN(CC1)CCOCC(O)=O)c1ccccc1 1.45 204 | A-logD7.4-423 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1sccc1C 1.4 205 | A-logD7.4-424 O=C1N(c2nc(nc(c2CC1)C(C)C)C)Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 1.41 206 | A-logD7.4-425 Clc1ncc(cc1-c1ccc(F)nc1)[C@@H]1[C@@H]2N([C@@H](C1)CC2)C 1.42 207 | A-logD7.4-427 n1nc(Nn2c(ccc2C)C)ccc1N1CCNCC1 1.44 208 | A-logD7.4-429 N(CCCN1c2c(CCc3c1cccc3)cccc2)C 1.45 209 | A-logD7.4-430 Clc1cc2c(cc(S(=O)(=O)N[C@H]3CCN([C@H](C(=O)N4CC5CC(C4)CNC5)C)C3=O)cc2)cc1 1.47 210 | A-logD7.4-431 Clc1sc(cc1)\C=C\S(=O)(=O)N[C@H]1CCN([C@H](C(=O)N2CCOCC2)C)C1=O 1.47 211 | A-logD7.4-433 O=C1N(c2c(cccc2)C(=N[C@H]1NC(=O)Nc1cc(ccc1)CNc1nn[nH]n1)c1ccccc1)C 1.47 212 | A-logD7.4-434 Clc1ccc(cc1)\C=C\S(=O)(=O)N[C@H]1CCN([C@H](C(=O)N2CCOCC2)C)C1=O 1.49 213 | A-logD7.4-435 O(CC)c1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 1.5 214 | A-logD7.4-437 O(CC)c1ccccc1C[C@H](N1CCNCC1)c1ccccc1 1.5 215 | A-logD7.4-438 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1sccc1 1.52 216 | A-logD7.4-44 S1(=O)(=O)N(CCN1C)Cc1cc2c([nH]cc2CCNC)cc1 -1.71 217 | A-logD7.4-440 Oc1ccccc1 1.54 218 | A-logD7.4-442 OC(CN(CC(O)C)c1nnc(Nn2c(ccc2C)C)cc1)C 1.55 219 | A-logD7.4-443 Clc1ccccc1C1C(C(OCC)=O)=C(NC(C)=C1C(OC)=O)COCCN 1.67 220 | A-logD7.4-444 O=C1N(c2c(cccc2)C(=N[C@H]1NC(=O)Nc1cc(N(C)c2nn[nH]n2)c(cc1)C)c1ccccc1)C 1.58 221 | A-logD7.4-445 [nH]1c2CCN(Cc2cc1)Cc1ccccc1 1.59 222 | A-logD7.4-446 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)C(=O)C(O)=O)cc1 1.6 223 | A-logD7.4-447 O1C(=O)c2c(N=C1N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)N)cc(N)cc2CC 1.6 224 | A-logD7.4-448 O1C(=O)c2c(N=C1NC(C)C)cc(N)cc2CC 1.6 225 | A-logD7.4-449 s1c2c(n(CC(=O)N(C)C)c(c2C2CCCCC2)-c2ccccc2)cc1C(O)=O 1.6 226 | A-logD7.4-450 Clc1cc2nccc(c2cc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 1.6 227 | A-logD7.4-451 Clc1cc(Cl)ccc1-c1nc(OC)nc(N)c1CN 1.6 228 | A-logD7.4-452 Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(O)=O)c1C 1.61 229 | A-logD7.4-453 Clc1cc(ccc1NC(=O)Nc1ccccc1C)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 1.61 230 | A-logD7.4-454 Clc1sc2S(=O)(=O)N=C(Nc2c1)NC(C)C 1.63 231 | A-logD7.4-455 O(C)c1ccc(cc1)C[C@H](NC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c2c([nH]c1)cccc2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N 1.63 232 | A-logD7.4-456 Brc1ccccc1NC(=O)Nc1ccc(cc1C)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 1.64 233 | A-logD7.4-457 O1CCN(CC1)c1nnc(N(n2c(ccc2C)C)C(=O)C)cc1 1.64 234 | A-logD7.4-458 Oc1ccc(cc1)C[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)C)Cc1ccccc1)Cc1ccccc1)C(=O)N 1.64 235 | A-logD7.4-462 O(CC(O)CNC(C)C)c1c2c(ccc1O)cccc2 1.66 236 | A-logD7.4-464 Brc1cc(ccc1NC(=O)Nc1ccccc1C)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 1.68 237 | A-logD7.4-465 Clc1ccccc1NC(=O)Nc1ccc(cc1C)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 1.69 238 | A-logD7.4-466 O1C(=O)c2c(N=C1NC)cccc2 1.7 239 | A-logD7.4-467 n1nc(Nn2c(ccc2C)C)ccc1N(CC=C)CC=C 1.7 240 | A-logD7.4-468 Clc1cc(ccc1Cl)[C@]1(CCC(=O)N(C1)CC1CC1)CCN1CC(N2CCN(S(=O)(=O)N)CC2)C1 1.7 241 | A-logD7.4-469 OC1CCN(CC1)c1nnc(Nn2c(ccc2C)C)cc1 1.7 242 | A-logD7.4-47 OC=1C(=O)C=CN(C(CO)CO)C=1C -1.7 243 | A-logD7.4-470 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C#Cc1ccncc1)C 1.7 244 | A-logD7.4-471 Clc1cc2nccc(-n3c4c(cc(OC)cc4)c(CC(O)=O)c3C)c2cc1 1.7 245 | A-logD7.4-472 O1C(=O)c2c(N=C1NCCCC)cc(N)cc2 1.7 246 | A-logD7.4-473 OC(CN(C)c1nnc(Nn2c(ccc2C)C)cc1)C 1.73 247 | A-logD7.4-476 O1c2c(OCC1c1[nH]ccn1)cccc2 1.76 248 | A-logD7.4-477 Brc1ccccc1NC(=O)Nc1ccc(cc1OC)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 1.76 249 | A-logD7.4-478 o1cc(cc1)C1(C2c3cc(ccc3C([n+]3c2cccc3)C1)C(O)=O)c1ccoc1 1.76 250 | A-logD7.4-482 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)CC#Cc1ccccc1 1.78 251 | A-logD7.4-483 N1[C@@H]2Cc3c(cccc3)[C@]1(c1c2cccc1)C 1.79 252 | A-logD7.4-484 Clc1cc2c(cc(S(=O)(=O)N[C@H]3CCN([C@H](C(=O)N4CCOCC4)C)C3=O)cc2)cc1 1.79 253 | A-logD7.4-485 FC(F)(F)c1cc2nccc(c2cc1)-c1c2cc(ccc2n(CC(O)=O)c1C)C 1.8 254 | A-logD7.4-488 FC(F)(F)c1cc2c(nccc2-c2c3cc(ccc3n(CC(O)=O)c2C)C)cc1 1.8 255 | A-logD7.4-49 OC=1C(=O)C=CN(CCC(O)=O)C=1CC -1.6 256 | A-logD7.4-490 O1C(=Nc2c(cc(cc2)C)C1=O)C 1.8 257 | A-logD7.4-491 Clc1ccccc1CC(N1CCNCC1)c1ccccc1 1.8 258 | A-logD7.4-494 Clc1cc2sc(S(=O)(=O)N[C@H]3CCN([C@H](C(=O)N4CCOCC4)C)C3=O)cc2cc1 1.85 259 | A-logD7.4-495 Clc1ccccc1NC(=O)Nc1ccc(cc1OC)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 1.87 260 | A-logD7.4-496 O=[N+]([O-])c1ccccc1 1.88 261 | A-logD7.4-498 OC=1C(=O)C=CN(CCCCCC)C=1C 1.89 262 | A-logD7.4-501 [Tc-]123(SCCN1C(=O)C[N+]2(CCS3)CCNCCCC)[OH2+] 1.9 263 | A-logD7.4-502 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C#Cc1ccsc1)C 1.9 264 | A-logD7.4-503 FC(F)(F)C=1OC(=O)c2c(N=1)cccc2 1.9 265 | A-logD7.4-506 O1c2c(OCC1Cc1[nH]ccn1)cccc2 1.92 266 | A-logD7.4-507 O1c2c(OCC1Cc1nccn1C)cccc2 1.93 267 | A-logD7.4-508 O1CCN(CC1)c1nnc(Nn2c(ccc2C)C)cc1 1.94 268 | A-logD7.4-509 Fc1ccc(cc1)C1(OCc2c1ccc(c2)C#N)CCCN(C)C 1.94 269 | A-logD7.4-510 n1nc(Nn2c(ccc2C)C)ccc1N1CCN(CC1)C 1.94 270 | A-logD7.4-511 O(c1cc(ccc1)CNc1ccc(cc1)CCC(O)=O)c1ccccc1 1.95 271 | A-logD7.4-513 O1c2c(OCC1CCc1[nH]ccn1)cccc2 1.99 272 | A-logD7.4-515 O1CCN(CC1)c1nnc(N(n2cccc2)C)cc1 2 273 | A-logD7.4-516 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C)c1oc2c(c1)cccc2 2 274 | A-logD7.4-517 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1sc2c(c1)cccc2 2 275 | A-logD7.4-519 O1C(=O)c2c(N=C1NCc1ccc(N)cc1)cccc2 2 276 | A-logD7.4-521 S(=O)(=O)(Nc1cc2[nH]cc(c2cc1)-c1ccncc1)c1ccccc1 2.01 277 | A-logD7.4-523 N(CCC=C1c2c(CCc3c1cccc3)cccc2)C 2.02 278 | A-logD7.4-524 Clc1sc(cc1)-c1sc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)N3CCOCC3)C)C2=O)cc1 2.03 279 | A-logD7.4-525 O(CCN(CCOC)c1nnc(Nn2c(ccc2C)C)cc1)C 2.06 280 | A-logD7.4-526 O(C)c1cc2c(nccc2[C@H](O)C2N3CC(C(C2)CC3)C=C)cc1 2.14 281 | A-logD7.4-527 Clc1cc2cc(sc2cc1)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)N2CCOCC2)C)C1=O 2.07 282 | A-logD7.4-529 O(C)c1ccccc1 2.09 283 | A-logD7.4-53 OC=1C(=O)C=CN(CCN)C=1C -1.55 284 | A-logD7.4-530 o1nc(nc1[C@H](CCCC1CCCCC1)CC(=O)NO)C1=CNC(=O)NC1=O 2.1 285 | A-logD7.4-531 O(C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1nc[nH]c1)C(=O)NC(C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCN=C(N)N)CC(C)C 2.1 286 | A-logD7.4-532 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)CCC(O)=O)cc1 2.1 287 | A-logD7.4-533 O1C(=Nc2c(cccc2C)C1=O)C 2.1 288 | A-logD7.4-534 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1ccc(cc1)CCC(O)=O 2.1 289 | A-logD7.4-535 Clc1sc(cc1)-c1sc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)N3CCOCC3)C)C2=O)nc1 2.1 290 | A-logD7.4-536 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)Cc1oc2c(c1)cccc2 2.1 291 | A-logD7.4-537 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)CC(O)=O)cc1 2.1 292 | A-logD7.4-539 c1ccccc1 2.13 293 | A-logD7.4-540 O(CCN(C)c1nnc(Nn2c(ccc2C)C)cc1)C 2.16 294 | A-logD7.4-542 Brc1cc(ccc1NC(=O)Nc1ccccc1Cl)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 2.17 295 | A-logD7.4-543 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COCC(N1CCN(CC1)CCOCC(O)=O)c1ccccc1 2.17 296 | A-logD7.4-544 n1nc(Nn2c(ccc2C)C)ccc1N(C)C 2.18 297 | A-logD7.4-545 Clc1sc(cc1)-c1sc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)N3CCOCC3)C)C2=O)cn1 2.18 298 | A-logD7.4-547 S(=O)(=O)(C)c1ccc(cc1)CC(=O)N(CC)C1CCN(CC1)CC[C@@H](c1cc(F)cc(F)c1)c1ccc(S(=O)(=O)C)cc1 2.2 299 | A-logD7.4-549 O1CCN(CC1)c1nnc(N(n2c(ccc2C)C)C)cc1 2.21 300 | A-logD7.4-55 OC[C@H](NC(=O)C)C(=O)N([C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N)C -1.51 301 | A-logD7.4-552 O1Cc2c(cccc2)C(c2c1cccc2)=CCCN(C)C 2.22 302 | A-logD7.4-554 n1c2c(ccc1\C=C\C)cccc2 2.23 303 | A-logD7.4-556 Clc1sc(cc1)-c1ncc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)N3CCOCC3)C)C2=O)cc1 2.24 304 | A-logD7.4-558 Clc1c(cc(cc1C)-c1nc(n(\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1)C(C)C)C.[Na+] 2.27 305 | A-logD7.4-559 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1cc2OCOc2cc1 2.27 306 | A-logD7.4-560 Clc1cc(ccc1NC(=O)Nc1ccccc1Cl)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 2.27 307 | A-logD7.4-562 Brc1cc(ccc1NC(=O)Nc1ccccc1Br)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 2.28 308 | A-logD7.4-563 S(=O)(=O)(NCc1nc(on1)[C@H](CCCC1CCCCC1)CC(=O)NO)C 2.3 309 | A-logD7.4-564 O1C(=O)c2c(N=C1NC)cccc2C 2.3 310 | A-logD7.4-566 Clc1cc(ccc1Cl)[C@@H]1CC[C@H](NC)c2cc(S(=O)(=O)N)ccc12 2.3 311 | A-logD7.4-567 S(=O)(=O)(CCN1CCC2(OC3(OO2)C2CC4CC3CC(C2)C4)CC1)CC 2.3 312 | A-logD7.4-569 Clc1cc(ccc1Cl)[C@@H]1CC[C@H](NC)c2cc(ccc12)C(=O)N 2.3 313 | A-logD7.4-570 Clc1cc(ccc1Cl)[C@]1(CCC(=O)N(C1)CC1CC1)CCN1CC(N2CCOCC2)C1 2.3 314 | A-logD7.4-571 O(C)c1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)CCC(O)=O)cc1 2.3 315 | A-logD7.4-572 O1C(=O)c2c(N=C1NCCCC(OCC)=O)cccc2 2.3 316 | A-logD7.4-574 Oc1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1ccc(cc1)-c1ccccc1C(O)=O 2.3 317 | A-logD7.4-575 O1c2c(OCC1Cc1nccn1CC)cccc2 2.31 318 | A-logD7.4-576 O=C(NC1CCN(CC1)CCc1c2c([nH]c1)cccc2)c1ccccc1 2.31 319 | A-logD7.4-578 Brc1cc(Cl)c(NC=2NCCN=2)c(Cl)c1 2.31 320 | A-logD7.4-579 O(C)c1cc(c2c(nc(nc2)Nc2ccc(N3CCNCC3)cc2)c1C1CCCC1)C 2.32 321 | A-logD7.4-580 Brc1ccccc1NC(=O)Nc1ccc(cc1Cl)CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(cc1)C(O)=O 2.34 322 | A-logD7.4-581 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COCC(N1CCN(CC1)CC(O)=O)c1ccccc1 2.35 323 | A-logD7.4-582 O=C(N(C)C)Cc1n2C=C(C=Cc2nc1-c1ccc(cc1)C)C 2.35 324 | A-logD7.4-583 O([C@]([C@@H](CN(C)C)C)(Cc1ccccc1)c1ccccc1)C(=O)CC 2.48 325 | A-logD7.4-585 [Tc-]12(SCC[N+]1(CCS2)CCN(C)C)(Sc1ccc(OC)cc1)[OH2+] 2.38 326 | A-logD7.4-586 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(SCc1ccccc1)[OH2+] 2.38 327 | A-logD7.4-587 Clc1sc2S(=O)(=O)N=C(Nc2c1)N[C@@H](CC)C 2.4 328 | A-logD7.4-588 O1c2c(OCC1Cc1nccn1CCC)cccc2 2.4 329 | A-logD7.4-589 O1C(=O)c2c(N=C1NCCC)cccc2 2.4 330 | A-logD7.4-590 O1C(=O)c2c(N=C1NC(C)C)cccc2 2.4 331 | A-logD7.4-591 O(CC(CCC)(COC(=O)N)C)C(=O)NC(C)C 2.4 332 | A-logD7.4-592 O1C(=O)c2c(N=C1NC(C)C)cc(NCC)cc2 2.4 333 | A-logD7.4-594 Clc1cc(F)c(Nc2ncnc3c2cc(OC)c(OCCCN2CCN(CC2)C)c3)cc1 2.4 334 | A-logD7.4-595 O1CCN(CC1)CCn1nc2c(nc(nc2O)-c2cc(cnc2OCCCC)C(=O)C)c1CC 2.4 335 | A-logD7.4-596 Clc1cc2NC3=C(C(=O)c2cc1)C(=O)N(NC3=O)C(C#Cc1sccc1)C 2.4 336 | A-logD7.4-597 FC(F)(F)c1ccc(cc1)/C(=N/OCCN)/CCCCOC 2.41 337 | A-logD7.4-598 Clc1cc(ccc1Cl)[C@]1(CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CCN1CCC(CC1)(C(=O)N1CCN(CC1)C)c1cccnc1 2.41 338 | A-logD7.4-599 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COCC(N1CCNCC1)c1ccccc1 2.41 339 | A-logD7.4-601 Clc1sc2S(=O)(=O)N=C(Nc2c1)NCCC 2.42 340 | A-logD7.4-602 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CC(C)C)C(=O)N)C)C 2.42 341 | A-logD7.4-603 n1nc(Nn2c(ccc2C)C)ccc1N1CCCC1 2.45 342 | A-logD7.4-605 S1c2c(N(c3c1cccc3)CCCN(C)C)cccc2 2.48 343 | A-logD7.4-606 N(CCCN1c2c(CCc3c1cccc3)cccc2)(C)C 2.49 344 | A-logD7.4-607 O(CCCOc1ccccc1)c1cc(ccc1)CCNC[C@H](O)c1cc(NC=O)c(O)cc1 2.49 345 | A-logD7.4-61 OC=1C(=O)C=CN(CCCC(O)=O)C=1CC -1.38 346 | A-logD7.4-610 Clc1cc2c(-n3c(CN=C2c2ccccc2F)cnc3C)cc1 2.5 347 | A-logD7.4-611 OC(=O)c1cc-2nc(c(c-2[nH]c1)C1CCCCC1)-c1ccccc1 2.5 348 | A-logD7.4-612 O(CCC)c1ncc(cc1-c1nc(O)c2nn(c(c2n1)CC)C1CN(C1)C(C)C)C(=O)C 2.5 349 | A-logD7.4-613 O(C)c1cc(ccc1)[C@H](N1C[C@H](N(C[C@@H]1C)Cc1ccccc1)C)c1cc2c(CCN(C2)CC(O)=O)cc1 2.5 350 | A-logD7.4-614 Brc1cc(Br)cc(Br)c1NC=1NCCN=1 2.51 351 | A-logD7.4-618 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(SCc1ccc(cc1)C(C)(C)C)[OH2+] 2.53 352 | A-logD7.4-619 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(OC)cc1)[OH2+] 2.59 353 | A-logD7.4-62 Oc1ccc(cc1)CC(NC(=O)C(N)Cc1c2c([nH]c1)cccc2)C(O)=O -1.38 354 | A-logD7.4-620 O1[C@H]([C@H]1C)C1=Nc2c(-n3c1ccc3)cccc2 2.55 355 | A-logD7.4-621 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1cc(OC)ccc1)[OH2+] 2.58 356 | A-logD7.4-622 O1CC(N(C(C1)C)c1nnc(Nn2c(ccc2C)C)cc1)C 2.59 357 | A-logD7.4-623 Clc1cc(ccc1Cl)[C@]1(CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CCN1CCC(CC1)(C(=O)N)c1cccnc1 2.59 358 | A-logD7.4-624 O1C(=O)c2c(N=C1NC(C(OC)=O)c1ccccc1)cccc2 2.6 359 | A-logD7.4-625 O1C2(OOC13CCN(CC3)C(=O)N1CCN(CC1)C)C1CC3CC2CC(C1)C3 2.6 360 | A-logD7.4-626 o1nc(nc1[C@H](CCCC1CCCCC1)CC(=O)NO)C(=O)N 2.6 361 | A-logD7.4-627 O1C(=O)c2c(N=C1N[C@@H]([C@H](CC)C)C(OC)=O)cccc2 2.6 362 | A-logD7.4-628 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccccc1OC)[OH2+] 2.6 363 | A-logD7.4-629 o1nc(nc1[C@H](CCCC1CCCCC1)CC(=O)NO)CNC(CO)(C)C 2.6 364 | A-logD7.4-630 Brc1cc(F)c(Nc2ncnc3c2cc(OC)c(OCC2CCN(CC2)C)c3)cc1 2.6 365 | A-logD7.4-632 O(CCCC)c1ncc(cc1-c1nc(O)c2nn(Cc3nccn3C)c(c2n1)CC)C(=O)C 2.6 366 | A-logD7.4-633 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(SCc1ccc(OC)cc1)[OH2+] 2.61 367 | A-logD7.4-634 O1[C@H]([C@@H]1C)C1=Nc2c(-n3c1ccc3)cccc2 2.61 368 | A-logD7.4-635 O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)CC2(C1)CCCC2 2.61 369 | A-logD7.4-637 N(CCC=C1c2c(CCc3c1cccc3)cccc2)(C)C 2.83 370 | A-logD7.4-639 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccccc1)[OH2+] 2.63 371 | A-logD7.4-640 Clc1cc(ccc1Cl)[C@]1(CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CCN1CCC(CC1)(C(=O)N)c1ccncc1 2.64 372 | A-logD7.4-641 FC(F)(F)c1cc(cc(c1)[C@@H](OC[C@@H](N1CCN(CC1)CCOCC(O)=O)c1ccccc1)C)C(F)(F)F 2.64 373 | A-logD7.4-642 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1cc(C)c(cc1)C)[OH2+] 2.65 374 | A-logD7.4-643 S1Cc2c(cccc2)\C(\c2c1cccc2)=C\CCN(C)C 2.66 375 | A-logD7.4-644 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1cc2c(cc1)cccc2)[OH2+] 2.66 376 | A-logD7.4-645 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(cc1)C)[OH2+] 2.66 377 | A-logD7.4-647 Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cc(N(C)C)ccc2)ccc1C 2.7 378 | A-logD7.4-648 O1CCN(CC1)CCCOc1cc2ncnc(Nc3cnc(nc3)NC(=O)c3ccccc3)c2cc1OC 2.7 379 | A-logD7.4-649 O1C2(OOC13CCN(CC3)Cc1ccncc1)C1CC3CC2CC(C1)C3 2.7 380 | A-logD7.4-65 O=C(N([C@@H](CC(C)C)C(=O)N)C)CNC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)CCCCN)C)Cc1ccccc1 -1.33 381 | A-logD7.4-650 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(cc1)CC)[OH2+] 2.7 382 | A-logD7.4-651 O1C(=O)c2c(N=C1OCC)cc(N)cc2CC 2.7 383 | A-logD7.4-652 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COCC(N1CCN(CC1)CCCCc1nn[nH]n1)c1ccccc1 2.71 384 | A-logD7.4-653 O1CCN(CC1)c1nnc(Nn2c(ccc2CC)CC)cc1 2.71 385 | A-logD7.4-655 n1nc(Nn2c(ccc2C)C)ccc1N(CC)CC 2.73 386 | A-logD7.4-657 O(NC(=O)Nc1cc2n(cc(c2cc1)C#N)C)Cc1ccccc1 2.74 387 | A-logD7.4-659 Clc1c(csc1C(=O)Nc1c(cc(Cl)cc1OC)C(=O)Nc1ncc(Cl)cc1)CN1CCN(CC1)C 2.75 388 | A-logD7.4-66 O1c2c(ccc(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)c2)C(=CC1=O)C -1.32 389 | A-logD7.4-660 O(CCCCc1ccccc1)c1ccc(cc1)CCNC[C@H](O)c1cc(NC=O)c(O)cc1 2.76 390 | A-logD7.4-661 [Tc-]12(SCC[N+]1(CCS2)CC)(Sc1ccc(OC)cc1)[OH2+] 2.77 391 | A-logD7.4-662 Ic1ccc(S[Tc-]23(SCC[N+]2(CCS3)CCN(CC)CC)[OH2+])cc1 2.77 392 | A-logD7.4-663 Clc1ccccc1-c1nc(cc2c1cccc2)C(=O)N(C(CC)C)C 2.78 393 | A-logD7.4-666 Brc1cc(Br)cc(C(F)(F)F)c1NC=1NCCN=1 2.8 394 | A-logD7.4-667 O(CCCC)c1ncc(cc1-c1nc(O)c2nn(c(c2n1)CC)C1CN(C1)CC)C(=O)C 2.8 395 | A-logD7.4-668 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN(C)C)CC1CCCCC1)Cc1ccccc1 2.8 396 | A-logD7.4-669 Clc1cc(ccc1Cl)[C@@H]1CC[C@H](NC)c2cc(ccc12)C(=O)NC 2.8 397 | A-logD7.4-670 Clc1cc(ccc1Cl)[C@@H]1CC[C@H](NC)c2cc(S(=O)(=O)NC)ccc12 2.8 398 | A-logD7.4-671 O1C(=Nc2c(cc3c(c2)cccc3)C1=O)C 2.8 399 | A-logD7.4-672 O1C(=O)c2c(N=C1NCc1ccccc1)cccc2 2.8 400 | A-logD7.4-673 [nH]1cc(c2c1cccc2)-c1ccncc1 2.81 401 | A-logD7.4-674 [Tc-]12(SCC[N+]1(CCS2)CCOC)(Sc1ccc(OC)cc1)[OH2+] 2.81 402 | A-logD7.4-675 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(cc1)C(C)C)[OH2+] 2.83 403 | A-logD7.4-677 FC(F)(F)c1ccc(OC(CCNC)c2ccccc2)cc1 2.84 404 | A-logD7.4-678 S1c2c(N(c3c1cccc3)CC(N(C)C)C)cccc2 2.85 405 | A-logD7.4-679 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(Br)cc1)[OH2+] 2.87 406 | A-logD7.4-680 Clc1ccccc1 2.87 407 | A-logD7.4-682 FC(F)(F)C=1OC(=O)c2c(N=1)cccc2C 2.9 408 | A-logD7.4-683 FC(F)(C(F)(F)C(F)(F)F)C=1OC(=O)c2c(N=1)cccc2C 2.9 409 | A-logD7.4-684 O(C)c1ccccc1COCCCOc1ccc(N2[C@H](CNCC2=O)COCc2cccnc2)cc1 2.9 410 | A-logD7.4-685 n1c(nc(NC2CC2)c(C)c1N1CCCCCC1)C1CC1 2.9 411 | A-logD7.4-687 Clc1ccc2OCOc2c1Nc1ncnc2c1c(OC1CCN(CC1)C)cc(OC)c2 2.9 412 | A-logD7.4-688 Clc1ccc2OCOc2c1Nc1ncnc2c1c(OC1CCOCC1)cc(OCCN1CCN(CC1)C)c2 2.9 413 | A-logD7.4-689 O(CCCC)c1nc2c(cccc2)c(c1)C(=O)NCCN(CC)CC 2.91 414 | A-logD7.4-690 N(CCC=C1c2c(C=Cc3c1cccc3)cccc2)(C)C 2.92 415 | A-logD7.4-691 O=C(N(C)c1ccccc1)Nc1cc2[nH]cc(c2cc1)-c1ccncc1 2.93 416 | A-logD7.4-692 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccc1OC 2.93 417 | A-logD7.4-693 Clc1cc2c(cc(S(=O)(=O)N[C@H]3CCN([C@H](C(=O)N4C5CCC(CC5)C4)C)C3=O)cc2)cc1 2.94 418 | A-logD7.4-694 Clc1c(csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)CN1CCN(CC1)C 2.96 419 | A-logD7.4-695 Clc1cc(N2CCN(CC2)CCCN2N=C3N(C=CC=C3)C2=O)ccc1 2.97 420 | A-logD7.4-696 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(cc1)C(C)(C)C)[OH2+] 2.97 421 | A-logD7.4-697 O(C)c1cc(ccc1OC)CCC1=Nc2c(-n3c1ccc3)cccc2 2.97 422 | A-logD7.4-699 [Tc-]12(SCC[N+]1(CCS2)CCN(CC)CC)(Sc1ccc(cc1)CCCC)[OH2+] 2.99 423 | A-logD7.4-70 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(F)cc2)cc1N1CCNCC1 -1.18 424 | A-logD7.4-703 O1C(=O)c2c(N=C1NC(C)C)cccc2C 3 425 | A-logD7.4-708 S(CC)C=1OC(=O)c2c(N=1)cccc2 3 426 | A-logD7.4-71 S(=O)(=O)(NC)Cc1cc2c([nH]cc2CCN(C)C)cc1 -1.17 427 | A-logD7.4-711 O1C(=O)c2c(N=C1N1CCCCC1)cccc2 3 428 | A-logD7.4-715 O(Cc1[nH]c(nc1C(=O)Nc1cc(ccc1)C(O)=O)-c1c(cc(cc1C)C)C)C12CC3CC(C1)CC(C2)C3 3.02 429 | A-logD7.4-716 Clc1cc(ccc1Cl)[C@]1(CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CCN1CCC(CC1)(C(=O)N1CCOCC1)c1ccccc1 3.02 430 | A-logD7.4-717 Clc1cc(ccc1Cl)[C@]1(CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CCN1CCC(CC1)(C(=O)N)c1ccccc1 3.02 431 | A-logD7.4-718 n1-2c(ccc1)C(=Nc1c-2cccc1)C=C 3.08 432 | A-logD7.4-719 O=C(c1ccccc1)c1ccccc1 3.1 433 | A-logD7.4-720 O1C(=O)c2c(N=C1Nc1ccccc1)cccc2OC 3.1 434 | A-logD7.4-721 Clc1cc(ccc1Cl)[C@@H]1CC[C@H](NC)c2c1cccc2 3.1 435 | A-logD7.4-723 O1C(=O)c2c(N=C1NCCCC)cccc2 3.1 436 | A-logD7.4-726 Clc1c(csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ncc(Cl)cc1)CN1CCN(CC1)C 3.11 437 | A-logD7.4-728 n1nc(Nn2c(ccc2C)C)ccc1N1CCCCC1 3.13 438 | A-logD7.4-729 Clc1sc2S(=O)(=O)N=C(Nc2c1)NCC(CC)C 3.14 439 | A-logD7.4-731 O1C(=O)c2c(N=C1N[C@@H](CC(C)C)C(OC)=O)cccc2 3.2 440 | A-logD7.4-732 O1C(=O)c2c(N=C1NC(C)C)cc(cc2)CC 3.2 441 | A-logD7.4-733 O1C(=O)c2c(N=C1N[C@H](CC(C)C)C(OC)=O)cccc2 3.2 442 | A-logD7.4-734 s1c(cnc1Nc1ncnc2c1cc(OC)c(OCCCN1CCC(CC1)CO)c2)CC(=O)Nc1cc(F)ccc1 3.2 443 | A-logD7.4-735 O1C(=O)c2c(N=C1NCCc1ccccc1)cccc2 3.2 444 | A-logD7.4-736 Clc1cc2N(c3c(Sc2cc1)cccc3)CCCN(C)C 3.34 445 | A-logD7.4-737 Clc1cc2N(c3c(CCc2cc1)cccc3)CCCN(C)C 3.28 446 | A-logD7.4-738 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COC[C@H](N1CCN(CC1)CC(=O)N)c1ccccc1 3.26 447 | A-logD7.4-739 O1c2c(OCC1Cc1[nH]c3c(n1)cccc3)cccc2 3.29 448 | A-logD7.4-740 n1c2c(cc3c1cccc3)cccc2 3.29 449 | A-logD7.4-743 n1-2c(ccc1)C(=Nc1c-2cccc1)\C=C/C 3.3 450 | A-logD7.4-744 O(C)c1cc2c(cc(cc2)CCC(=O)C)cc1 3.3 451 | A-logD7.4-748 n1-2c(ccc1)C(=Nc1c-2cccc1)CCC 3.35 452 | A-logD7.4-749 Ic1cc(cc(I)c1OCCN1CCOCC1)C(=O)c1c2c(oc1CCCC)cccc2 4.76 453 | A-logD7.4-752 O1[C@H](/C(=C/[C@H]2C[C@@H](OC)[C@H](O)[C@H](O)C2)/C)[C@H](C)[C@@H](O)CC(=O)[C@@H](\C=C(\C[C@@H](C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@@H](CCCC2)C1=O)C)/C)CC 3.4 454 | A-logD7.4-754 Clc1cc(F)c(Nc2ncnc3c2cc(OC)c(OCCCN2CCOCC2)c3)cc1 3.4 455 | A-logD7.4-757 O(C)c1cc2N=C(c3n(-c2cc1)ccc3)CCC 3.4 456 | A-logD7.4-758 s1c2c([nH]c(c2C2CCCCC2)-c2ccccc2)cc1C(O)=O 3.4 457 | A-logD7.4-759 n1-2c(ccc1)C(=Nc1c-2cccc1)\C=C\C 3.44 458 | A-logD7.4-761 O(C)c1cc2N=C(c3n(-c2cc1)ccc3)\C=C\C 3.47 459 | A-logD7.4-762 O(C)c1cc2-n3c(ccc3)C(=Nc2cc1)\C=C\C 3.48 460 | A-logD7.4-763 Clc1cc2c(Oc3c(N=C2N2CCNCC2)cccc3)cc1 3.48 461 | A-logD7.4-764 O1C(=O)c2c(N=C1Nc1ccccc1)cccc2 3.5 462 | A-logD7.4-765 O1C(=O)c2c(N=C1NC1CCCCC1)cccc2 3.5 463 | A-logD7.4-766 O1CCN(CC1)c1nccc(c1)C(=O)Nc1cc(Nc2ncnc3c2cc(OCCN(C(C)C)C(C)C)c(OC)c3)c(cc1)C 3.5 464 | A-logD7.4-767 O1C2(OOC13CCN(CC3)Cc1ccccc1)C1CC3CC2CC(C1)C3 3.5 465 | A-logD7.4-768 O1CCN(CC1)CCCOc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC 3.5 466 | A-logD7.4-769 Clc1cc2c(N(C)C(=O)CN=C2c2ccccc2)cc1 2.47 467 | A-logD7.4-770 O(NC(=O)Nc1cc2[nH]cc(c2cc1)-c1ccncc1)Cc1ccccc1 3.54 468 | A-logD7.4-771 Ic1cc(cc(I)c1OCCCN(C)C)C(=O)c1c2c(oc1CCCC)cccc2 5.77 469 | A-logD7.4-772 S(Cc1ccccc1)C=1OC(=O)c2c(N=1)cccc2 3.6 470 | A-logD7.4-773 O(C)c1cc2c(cc(cc2)CC\C(=N\O)\C)cc1 3.6 471 | A-logD7.4-775 S(CC)C=1OC(=O)c2c(N=1)cccc2C 3.6 472 | A-logD7.4-777 n1-2c(ccc1)C(=Nc1c-2cccc1)c1ccccc1 3.6 473 | A-logD7.4-778 O(C)c1ccccc1N1CCN(CC1)c1ccc(Nn2c(ccc2C)C)cc1 3.61 474 | A-logD7.4-779 Ic1cc(cc(I)c1OCCN(C)C)C(=O)c1c2c(oc1CCCC)cccc2 5.39 475 | A-logD7.4-780 Fc1cc(N(Cc2cc(OC)ccc2OC)C(=O)C)c(Oc2ccccc2)cc1 3.65 476 | A-logD7.4-784 O1C(=O)c2c(N=C1N(C(C)C)C(C)C)cccc2 3.7 477 | A-logD7.4-786 Fc1ccc(cc1C(F)(F)F)COC[C@@H]1N(C(=O)CNC1)c1ccc(OCCCOCc2ccccc2OC)cc1 3.7 478 | A-logD7.4-787 O(C)c1cc2c(ncnc2Nc2ccc(NC(=O)c3ccccc3)cc2)cc1OC 3.7 479 | A-logD7.4-79 OC=1C(=O)C=CN(CCNC(=O)C)C=1C -1.15 480 | A-logD7.4-790 Fc1cc(N(Cc2cc(OC)ccc2OCF)C(=O)C)c(Oc2ccccc2)cc1 3.7 481 | A-logD7.4-791 O1C(=O)c2c(N=C1N[C@@H](CC(C)C)C(OC)=O)cccc2C 3.7 482 | A-logD7.4-792 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)N(CCCN(C)C)C)CC1CCCCC1)Cc1ccccc1 3.7 483 | A-logD7.4-793 Clc1ccc2OCOc2c1Nc1ncnc2c1c(OC(C)C)cc(OCCN1CCOCC1)c2 3.7 484 | A-logD7.4-794 Clc1cc(ccc1Cl)[C@]1(CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CCN1CCC(CC1)(C(=O)N1CCN(CC1)C)c1ccccc1 3.71 485 | A-logD7.4-795 Clc1cc(Oc2ccccc2)c(N(Cc2ccccc2OC)C(=O)C)cc1 3.74 486 | A-logD7.4-796 O(C)c1cc(c2c(nc(nc2)Nc2ccc(N3CCN(CC3)C(=O)C)cc2)c1C1CCCC1)C 3.77 487 | A-logD7.4-798 O1C(=O)c2c(N=C1NCCCC)cccc2CC 3.8 488 | A-logD7.4-799 O1C(=O)c2c(N=C1NC(C)C)c(C)c(cc2)C 3.8 489 | A-logD7.4-80 OC(=O)C(NC(=O)C(N)CC(C)C)Cc1ccccc1 -1.13 490 | A-logD7.4-800 O1C(=O)c2c(N=C1NCCCCCC)cccc2 3.8 491 | A-logD7.4-801 Clc1cc(Oc2ccccc2)c(N(Cc2ccccc2OCC)C(=O)C)cc1 3.81 492 | A-logD7.4-802 Fc1cc(N(Cc2cc(OC)ccc2OCCF)C(=O)C)c(Oc2ccccc2)cc1 3.81 493 | A-logD7.4-803 O1c2cc(ccc2OC1)CCC1=Nc2c(-n3c1ccc3)cccc2 3.84 494 | A-logD7.4-805 O1C(=Nc2c(cccc2)C1=O)\C=C\c1ccccc1 3.9 495 | A-logD7.4-806 O1[C@H](/C(=C/[C@@H]2CC[C@@H](OC)[C@H](O)C2O)/C)[C@H](C)[C@@H](O)CC(=O)[C@@H](\C=C(\C[C@@H](C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@@H](CCCC2)C1=O)C)/C)CC 3.9 496 | A-logD7.4-808 O1C(=Nc2c(cccc2C)C1=O)C(C)(C)C 4 497 | A-logD7.4-809 O1C(=O)c2c(N=C1N[C@@H](CC(C)C)C(OC)=O)cc(cc2C)C 4 498 | A-logD7.4-81 Fc1c(C)c(F)ccc1N1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNCC3)cc12 -1.12 499 | A-logD7.4-812 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCn1ccnc1)CC1CCCCC1)Cc1ccccc1 4 500 | A-logD7.4-813 Clc1cc(Oc2ccccc2)c(N(Cc2ccccc2OC(C)C)C(=O)C)cc1 4.02 501 | A-logD7.4-814 ICOc1ccc(OC)cc1CN(C(=O)C)c1cc(F)ccc1Oc1ccccc1 4.02 502 | A-logD7.4-815 Ic1cc(N(Cc2cc(OC)ccc2OC)C(=O)C)c(Oc2ccccc2)cc1 4.03 503 | A-logD7.4-816 n1-2c(ccc1)C(=Nc1c-2cccc1)CCCCC 4.04 504 | A-logD7.4-818 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COCC(N1CCN(CC1)CCCC)c1ccccc1 4.09 505 | A-logD7.4-820 n1-2c(ccc1)C(=Nc1c-2cccc1)C=1CCCCC=1 4.12 506 | A-logD7.4-822 O1[C@H](/C(=C/[C@H]2C[C@@H](OC)[C@H](O)CC2)/C)[C@H](C)[C@@H](O)CC(=O)[C@@H](\C=C(\C[C@@H](C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@@H](CCCC2)C1=O)C)/C)CC 4.22 507 | A-logD7.4-823 Ic1cc(cc(I)c1OCCN1CCCC1)C(=O)c1c2c(oc1CCCC)cccc2 6.03 508 | A-logD7.4-825 O(C(=O)C=1C(C(C(OC)=O)=C(NC=1C)C)c1cc([N+](=O)[O-])ccc1)CCN(Cc1ccccc1)C 4.25 509 | A-logD7.4-826 Ic1cc(cc(I)c1OCCN1CCCCC1)C(=O)c1c2c(oc1CCCC)cccc2 6.16 510 | A-logD7.4-827 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCN(C)C)CC1CCCCC1)Cc1ccccc1 4.3 511 | A-logD7.4-829 O1CCN(CC1)CCCNC(=O)[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 4.3 512 | A-logD7.4-83 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(F)cc2)cc1N1CC(NC(C1)C)C -1.11 513 | A-logD7.4-830 O(C)c1cc2-n3c(ccc3)C(=Nc2cc1)\C=C\CCC 4.3 514 | A-logD7.4-831 O1CCN(CC1)CCOC(=O)N[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 4.3 515 | A-logD7.4-835 O(C)c1cc2N=C(c3n(-c2cc1)ccc3)CCCCC 4.38 516 | A-logD7.4-836 O1[C@H](/C(=C/[C@H]2C[C@@H](OC)[C@H](O)CC2)/C)[C@H](C)[C@@H](O)CC(=O)[C@@H](\C=C(\C[C@@H](C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@@H](CCCC2)C1=O)C)/C)CC=C 4.38 517 | A-logD7.4-837 Ic1ccc(OC)cc1CN(C(=O)C)c1cc(F)ccc1Oc1ccccc1 4.42 518 | A-logD7.4-838 n1-2c(ccc1)C(=Nc1c-2cccc1)\C=C\CCC 4.44 519 | A-logD7.4-839 O1CCN(CC1)CCCNC(=O)[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 4.5 520 | A-logD7.4-84 OC=1C(=O)C=CN(CCO)C=1C -1.1 521 | A-logD7.4-841 O(C)c1cc2N=C(c3n(-c2cc1)ccc3)\C=C\CCC 4.52 522 | A-logD7.4-842 Ic1cc(cc(I)c1OCCN(C(C)C)C(C)C)C(=O)c1c2c(oc1CCCC)cccc2 6.66 523 | A-logD7.4-844 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@H](NC(OCCN(C)C)=O)C(C)C)CC1CCCCC1)Cc1ccccc1 4.6 524 | A-logD7.4-846 S(OCCOc1ccc(OC)cc1CN(C(=O)C)c1cc(F)ccc1Oc1ccccc1)(=O)(=O)c1ccc(cc1)C 4.65 525 | A-logD7.4-848 [Si](C)(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)Nc2c3c(cccc3)c(OCCN3CCOCC3)cc2)c1 4.7 526 | A-logD7.4-849 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCC)CC1CCCCC1)Cc1ccccc1 4.7 527 | A-logD7.4-85 O(CCC1N(CCCC1)C(=O)[C@H](NCC(O)=O)Cc1ccccc1)C1CCN(CC1)C(N)=N -1.1 528 | A-logD7.4-850 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)[C@@H](O)CC(C)C)CC1CCCCC1)Cc1ccccc1 4.8 529 | A-logD7.4-853 n1-2c(ccc1)C(=Nc1c-2cccc1)\C=C\c1ccccc1 4.84 530 | A-logD7.4-854 ClCCN(CCCl)c1ccc(cc1)CCCC(=O)NCCCC(=O)NCCCCCC[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@]3(CC[C@@H]2c2c(cc(O)cc2)C1)C 4.85 531 | A-logD7.4-86 OC=1C(=O)C=CN(CCCC(=O)NC)C=1C -1.08 532 | A-logD7.4-862 ClCCN(CCCl)c1ccc(cc1)CCCC(=O)NCCCCCC[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@]3(CC[C@@H]2c2c(cc(O)cc2)C1)C 5.07 533 | A-logD7.4-863 O1CCN(CC1)CCOc1c2c(cccc2)c(NC(=O)Nc2n(nc(c2)C(C)(C)C)-c2ccc(cc2)C)cc1 5.1 534 | A-logD7.4-864 FC(F)(F)c1cc(cc(c1)C(F)(F)F)COCC(N1CCN(CC1Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1 5.2 535 | A-logD7.4-865 O(C)c1cc2N=C(c3n(-c2cc1)ccc3)\C=C\c1ccccc1 5.34 536 | A-logD7.4-867 ClCCN(CCCl)c1ccc(cc1)CCCNC(OCCCCCC[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@]3(CC[C@@H]2c2c(cc(O)cc2)C1)C)=O 5.61 537 | A-logD7.4-88 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccc(F)cc2C)cc1N1CC(NC(C1)C)C -1.05 538 | A-logD7.4-93 OC=1C(=O)C=CN(CCC(=O)N(C)C)C=1C -1 539 | A-logD7.4-97 S1(=O)(=O)NCCN1Cc1cc2c([nH]cc2CCN(C)C)cc1 -0.97 540 | A-logD7.4-98 Fc1cc2c(N(C=C(C(O)=O)C2=O)c2ccccc2)cc1N1CCNCC1 -0.97 541 | A-logD7.4-99 [nH]1cc(c2cc(ccc12)Cc1nnnn1C)CCN(C)C -0.94 542 | B-logD7.4-10 s1cc(S(=O)(=O)c2cc(CN(C)C)c(O)cc2)cc1S(=O)(=O)N 0.21 543 | B-logD7.4-100 Clc1c(cc(Cl)cc1Cl)-c1cnc(nc1N)N1CCN(CC1)C 3.39 544 | B-logD7.4-102 O(Cc1ccccc1)c1ccc(NC(Nc2ccc(cc2)C(C)(C)C)=N)cc1 3.46 545 | B-logD7.4-103 O(CCCC)c1ccc(NC(Nc2ccc(OCCCC)cc2)=N)cc1 3.52 546 | B-logD7.4-105 N(C(Nc1ccc(cc1)C(C)(C)C)=N)c1ccc(cc1)C(C)(C)C 3.65 547 | B-logD7.4-106 N(C(Nc1ccc(cc1)C(CC)C)=N)c1ccc(cc1)C(CC)C 3.94 548 | B-logD7.4-107 N(C(Nc1ccc(cc1)CCCC)=N)c1ccc(cc1)CCCC 4.1 549 | B-logD7.4-109 N(C(Nc1ccc(cc1)CCCCCC)=N)c1ccc(cc1)CCCCCC 6.07 550 | B-logD7.4-11 s1cc(S(=O)(=O)c2ccccc2CNCc2ncccc2)cc1S(=O)(=O)N 0.3 551 | B-logD7.4-12 s1cc(cc1S(=O)(=O)N)C(=O)c1cc(CN(C)C)c(O)cc1 0.36 552 | B-logD7.4-120 Oc1ccc(NC(=O)C)cc1 0.51 553 | B-logD7.4-121 O=C(C)c1ccccc1 1.58 554 | B-logD7.4-122 O=C1N=CN=C2NNC=C12 -0.44 555 | B-logD7.4-123 Clc1cc2c(-n3c(nnc3C)CN=C2c2ccccc2)cc1 2.1 556 | B-logD7.4-125 Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c1c2c(oc1CCCC)cccc2 6.1 557 | B-logD7.4-129 n1ccn(c1)C(c1ccc(cc1)-c1ccccc1)c1ccccc1 4.77 558 | B-logD7.4-13 s1cc(S(=O)(=O)c2ccc(cc2)CNC(C)(C)C)cc1S(=O)(=O)N 0.72 559 | B-logD7.4-131 O=C1N(C)C(=O)N(c2ncn(c12)C)C -0.07 560 | B-logD7.4-133 ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)CO 1.14 561 | B-logD7.4-134 Clc1ccc(cc1)C(CCN(C)C)c1ncccc1 1.41 562 | B-logD7.4-136 Clc1ccc(cc1S(=O)(=O)N)C1(O)NC(=O)c2c1cccc2 1.11 563 | B-logD7.4-14 S(=O)(=O)(c1ccc(O)cc1)c1cc(S(=O)(=O)N)oc1 0.79 564 | B-logD7.4-140 Clc1cc2N=C(N3CCN(CC3)C)c3c(Nc2cc1)cccc3 3.06 565 | B-logD7.4-141 O(C(=O)[C@H]1CC2N(C(CC2)[C@H]1C(OC)=O)C)c1ccccc1 1.05 566 | B-logD7.4-145 F[C@@]12[C@H]([C@@H]3C[C@@H](C)[C@](O)(C(=O)CO)[C@]3(C[C@@H]1O)C)CCC1=CC(=O)C=C[C@@]12C 1.83 567 | B-logD7.4-147 Oc1ccc(cc1)/C(=C(\CC)/c1ccc(O)cc1)/CC 5.07 568 | B-logD7.4-149 O(C(c1ccccc1)c1ccccc1)CCN(C)C 1.34 569 | B-logD7.4-15 s1cc(S(=O)(=O)c2cc(CN(CC)CC)c(O)cc2)cc1S(=O)(=O)N 0.81 570 | B-logD7.4-151 Oc1cc2CC[C@H]3[C@@H]4CC[C@H](O)[C@]4(CC[C@@H]3c2cc1)C 4.01 571 | B-logD7.4-152 O=C(N(C1CCN(CC1)CCc1ccccc1)c1ccccc1)CC 2.91 572 | B-logD7.4-155 Clc1c2O[C@]3([C@@H](CC(=O)C=C3OC)C)C(=O)c2c(OC)cc1OC 2.18 573 | B-logD7.4-156 Clc1ccc(cc1)C1(O)CCN(CC1)CCCC(=O)c1ccc(F)cc1 2.98 574 | B-logD7.4-157 O=C1CC[C@@]2([C@@H]3[C@H]([C@@H]4CC[C@](O)(C(=O)CO)[C@]4(C[C@@H]3O)C)CCC2=C1)C 1.55 575 | B-logD7.4-16 s1cc(S(=O)(=O)c2cc(ccc2)CNC(C)C)cc1S(=O)(=O)N 0.91 576 | B-logD7.4-160 S1c2c(N(c3c1cccc3)C[C@@H](CN(C)C)C)cc(OC)cc2 2.77 577 | B-logD7.4-161 O=C(Nc1c(cccc1C)C)CN(CC)CC 1.71 578 | B-logD7.4-162 Clc1cc2c(cc1)C(c1ncccc1CC2)=C1CCN(CC1)C(OCC)=O 4.4 579 | B-logD7.4-164 Clc1ccccc1C1=NC(O)C(=O)N(c2c1cc(Cl)cc2)C 2.72 580 | B-logD7.4-167 OCCn1c(ncc1[N+](=O)[O-])C -0.02 581 | B-logD7.4-168 O(CC(N)C)c1c(cccc1C)C 0.47 582 | B-logD7.4-169 c12c(cccc1)cccc2 3.37 583 | B-logD7.4-17 s1cc(S(=O)(=O)c2ccc(cc2)CNCCCC)cc1S(=O)(=O)N 2.1 584 | B-logD7.4-171 O(C(=O)C=1C(C(C(OC)=O)=C(NC=1C)C)c1ccccc1[N+](=O)[O-])C 3.17 585 | B-logD7.4-174 s1cc(nc1CN(C)C)CSCCN\C(\NC)=C\[N+](=O)[O-] -0.52 586 | B-logD7.4-175 S(=O)(Cc1ncc(C)c(OC)c1C)c1[nH]c2c(n1)cc(OC)cc2 2.3 587 | B-logD7.4-176 O=C1N(CCCCC(=O)C)C(=O)N(c2ncn(c12)C)C 0.29 588 | B-logD7.4-177 O=C1Nc2cccnc2N(c2c1cccc2)C(=O)CN1CCN(CC1)C -0.61 589 | B-logD7.4-179 O=C1C=C2CC[C@@H]3[C@@H]([C@]2(C=C1)C)C(=O)C[C@]1([C@H]3CC[C@]1(O)C(=O)CO)C 1.53 590 | B-logD7.4-18 s1cc(cc1S(=O)(=O)N)C(=O)c1cc(CN(CC)CC)c(O)cc1 2.3 591 | B-logD7.4-181 O(CC(O)CNCCC)c1ccccc1C(=O)CCc1ccccc1 1.81 592 | B-logD7.4-182 O(CC(O)CNC(C)C)c1c2c(ccc1)cccc2 1.26 593 | B-logD7.4-184 n1c2c(cccc2)ccc1 2.03 594 | B-logD7.4-19 s1cc(cc1S(=O)(=O)N)C(=O)c1ccc(cc1)CN1CCN(CC1)C 2.3 595 | B-logD7.4-191 O=C1CC[C@@]2([C@@H]3[C@H]([C@@H]4CC[C@H](O)[C@]4(CC3)C)CCC2=C1)C 3.29 596 | B-logD7.4-192 O(C(=O)c1ccc(NCCCC)cc1)CCN(C)C 2.29 597 | B-logD7.4-193 ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(S(=O)(=O)C)cc1)CO -0.27 598 | B-logD7.4-194 S1c2c(N(c3c1cccc3)CCC1N(CCCC1)C)cc(SC)cc2 3.34 599 | B-logD7.4-195 S(=O)(=O)(C)c1cc(C(=O)NCCN(CC)CC)c(OC)cc1 -0.09 600 | B-logD7.4-196 s1cc(nc1N=C(N)N)CSCCN\C(=N\C)\NC#N 0.57 601 | B-logD7.4-197 S=C(Oc1cc2c(cc1)cccc2)N(C)c1cc(ccc1)C 5.4 602 | B-logD7.4-199 n1c(N)c2nc(-c3ccccc3)c(nc2nc1N)N 1.21 603 | B-logD7.4-200 Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C(Cl)Cl 0.43 604 | B-logD7.4-201 S1c2c(N(c3c1cccc3)CCCN(C)C)cc(cc2)C(F)(F)F 3.61 605 | B-logD7.4-202 O(C)c1c(OC)cc(cc1OC)Cc1cnc(nc1N)N 0.63 606 | B-logD7.4-203 s1cc(nc1N=C(N)N)-c1[nH]c(nc1)C 0.74 607 | B-logD7.4-206 Clc1cc(O)ccc1 2.5 608 | B-logD7.4-207 S(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 0.09 609 | B-logD7.4-209 Clc1cc2OCOc2cc1COC(=O)N1CCC2(N(CN(CC(O)=O)C2=O)c2ccccc2)CC1 0.7 610 | B-logD7.4-21 s1cc(cc1S(=O)(=O)N)C(=O)c1cc(ccc1)CNCC(C)C 2.63 611 | B-logD7.4-212 Clc1cc2OCOc2cc1CNCCCn1c2c(nc1O)cccc2 1.8 612 | B-logD7.4-213 O1c2cc(ccc2OC1)CN1CCC2(N(CNC2=O)c2ccccc2)CC1 2.2 613 | B-logD7.4-214 O(C)c1cc(CC(=O)N2CCC(n3c4c(nc3O)cccc4)CC2)c([N+](=O)[O-])cc1OC 2.4 614 | B-logD7.4-215 O1c2cc(CN3CCC(n4c5c(nc4O)cccc5)CC3)c([N+](=O)[O-])cc2OC1 2.4 615 | B-logD7.4-216 O=C1NCN(C12CCN(CC2)C(OCc1cccnc1)=O)c1ccccc1 2.5 616 | B-logD7.4-217 Clc1cc(OC)ccc1CN1CCC(n2c3c(nc2O)cccc3)CC1 2.5 617 | B-logD7.4-218 Clc1cc2OCOc2cc1CN1CCC(n2c3cc(ccc3nc2O)C)CC1 2.6 618 | B-logD7.4-219 s1nc2cc(ccc2n1)CN1CCC2(N(CNC2=O)c2ccccc2)CC1 2.6 619 | B-logD7.4-220 O1c2cc(ccc2OC1)CNC(=O)N1CCC2(N(CNC2=O)c2ccccc2)CC1 2.8 620 | B-logD7.4-221 O(c1cc(ccc1)CN1CCC2(N(CNC2=O)c2ccccc2)CC1)c1ccccc1 2.9 621 | B-logD7.4-222 O1c2cc(CN3CCC(n4c5c(nc4O)cccc5)=CC3)c([N+](=O)[O-])cc2OC1 2.9 622 | B-logD7.4-223 Clc1cc2OCOc2cc1CN1CCC2(N(CN(CC(=O)NC)C2=O)c2ccccc2)CC1 2.9 623 | B-logD7.4-224 Clc1cc2OCOc2cc1COC(=O)N1CCC2(N(CNC2=O)c2ccccc2)CC1 2.9 624 | B-logD7.4-225 O(C)c1cc(\C=C\C(=O)N2CCC(n3c4c(nc3O)cccc4)CC2)c([N+](=O)[O-])cc1OC 3 625 | B-logD7.4-226 Clc1cc2OCOc2cc1CN1CCC2(N(CNC2=O)c2ccccc2)CC1 3 626 | B-logD7.4-227 Clc1cc2OCOc2cc1CN1CCC(n2c3c(nc2O)cccc3)CC1 3 627 | B-logD7.4-228 O(C)c1cc(\C=C\C(=O)N2CCC3(N(CNC3=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 3 628 | B-logD7.4-229 Brc1cc2c([nH]cc2CC(=O)N2CCN(CC2)c2c3nonc3c([N+](=O)[O-])cc2)cc1 3 629 | B-logD7.4-230 O1c2cc(COC(=O)N3CCC4(N(CNC4=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2OC1 3.1 630 | B-logD7.4-231 Clc1cc2OCOc2cc1COC(=O)N1CCC2(N(CN(CC(=O)NC)C2=O)c2ccccc2)CC1 3.1 631 | B-logD7.4-232 O1c2cc(\C=C\C(=O)N3CCC4(N(CNC4=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2OC1 3.1 632 | B-logD7.4-233 Clc1cc2OCOc2cc1COC(=O)NCCn1c2c(nc1O)cccc2 3.2 633 | B-logD7.4-234 s1nc2cc(ccc2n1)COC(=O)N1CCC2(N(CNC2=O)c2ccccc2)CC1 3.4 634 | B-logD7.4-235 Clc1cc(Cl)ccc1-c1[nH]nc(c1)C1CCN(CC1)C(=O)NCCn1c(ncc1[N+](=O)[O-])C 3.4 635 | B-logD7.4-236 Clc1cc2OCOc2cc1COC(=O)N1CCC(n2c3cc(ccc3nc2O)C)CC1 3.4 636 | B-logD7.4-237 O1c2cc(ccc2OC1)COC(=O)N1CCC2(N(CNC2=O)c2ccccc2)CC1 3.7 637 | B-logD7.4-243 Clc1cc2OCOc2cc1COC(=O)N1CCC(n2c3c(nc2O)cccc3)CC1 4.2 638 | B-logD7.4-247 Clc1cc2nccc(NCCCN3CCN(CC3)CCCN[C@H]3NCc4c(C3)cccc4)c2cc1 1.68 639 | B-logD7.4-254 s1c2c(nc1O)c(O)ccc2CCNCCCCCCOCCc1ccccc1 2.73 640 | B-logD7.4-258 S1c2c(NC1=O)c(O)ccc2CCNCCCSCCOCCc1ccccc1 2.92 641 | B-logD7.4-260 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCc1ccccc1 1.37 642 | B-logD7.4-262 s1c2c(nc1O)c(O)ccc2CCNCCOCCCOCCc1ccccc1 2.06 643 | B-logD7.4-263 s1c2c(nc1O)c(O)ccc2CCNCCNC(=O)CCOCCc1ccccc1 1.34 644 | B-logD7.4-264 S1c2c(NC1=O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccccc1 2.51 645 | B-logD7.4-265 s1c2c(nc1O)c(O)ccc2CCNCCNCCCOCCc1ccccc1 0.88 646 | B-logD7.4-266 s1c2c(nc1O)c(O)ccc2CCNCCC(F)(F)CCCOCCc1ccccc1 3.26 647 | B-logD7.4-267 s1c2c(nc1O)c(O)ccc2CCNCCSCCCOCCc1ccccc1 2.86 648 | B-logD7.4-268 s1c2c(nc1O)c(O)ccc2CCNCCNS(=O)(=O)CCOCCc1ccccc1 1.56 649 | B-logD7.4-269 s1c2c(nc1O)c(O)ccc2CCNCC(CSCCOCCc1ccccc1N)(C)C 3.44 650 | B-logD7.4-270 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCc1ccccc1N 1.17 651 | B-logD7.4-271 s1c2c(nc1O)c(O)ccc2CCNCCNC(=O)CCCOCCc1ccccc1 1.55 652 | B-logD7.4-272 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCc1ccccc1[N+](=O)[O-] 1.37 653 | B-logD7.4-273 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCNCCOc1ccccc1 0.9 654 | B-logD7.4-276 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc(F)cc1 2.67 655 | B-logD7.4-277 s1c2c(nc1O)c(O)ccc2CCNCCNC(=O)CCOCCCc1ccccc1 1.91 656 | B-logD7.4-278 S1c2c(NC1=O)c(O)ccc2CCNCCCS(=O)(=O)CCCOCCc1ccccc1 1.5 657 | B-logD7.4-279 s1c2c(nc1O)c(O)ccc2CCNCCSCCCOCCc1ccc([N+](=O)[O-])cc1 3.29 658 | B-logD7.4-280 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc([N+](=O)[O-])cc1 2.32 659 | B-logD7.4-281 s1c2c(nc1O)c(O)ccc2CCNCCSCCCOCCc1ncccc1 1.75 660 | B-logD7.4-282 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCc1c2c(ccc1)cccc2 2.54 661 | B-logD7.4-283 s1c2c(nc1O)c(O)ccc2CCNCCN(C(=O)CCOCCc1ccccc1)C 1.52 662 | B-logD7.4-285 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCOc1ccccc1 1.13 663 | B-logD7.4-286 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ncccc1 0.95 664 | B-logD7.4-287 Brc1ccc(cc1)CCOCCCS(=O)(=O)CCNCCc1c2sc(O)nc2c(O)cc1 3.36 665 | B-logD7.4-288 s1c2c(nc1O)c(O)ccc2CCNCCSCCCOCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 3.52 666 | B-logD7.4-290 s1c2c(nc1O)c(O)ccc2CCNCCCSCCOCCCc1ccccc1 2.8 667 | B-logD7.4-291 s1c2c(nc1O)c(O)ccc2CCNCCSCCCOCCCc1ccccc1 3.61 668 | B-logD7.4-293 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCCc1ccccc1 2.1 669 | B-logD7.4-295 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 2.88 670 | B-logD7.4-296 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCCCc1ccccc1 3.62 671 | B-logD7.4-297 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCCc1ccccc1 3.13 672 | B-logD7.4-298 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc(O)cc1 1.91 673 | B-logD7.4-299 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCSCCc1ccccc1 2.34 674 | B-logD7.4-300 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc(cc1)C(=O)N 1.1 675 | B-logD7.4-302 s1c2c(nc1O)c(O)ccc2CCNCCCNS(=O)(=O)CCOCCc1ccccc1 1.22 676 | B-logD7.4-303 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCOCc1ccccc1 1.11 677 | B-logD7.4-304 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCOCCc1ccccc1 1.46 678 | B-logD7.4-305 s1c2c(nc1O)c(O)ccc2CCNCCNS(=O)(=O)CCCOCCc1ccccc1 1.83 679 | B-logD7.4-307 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCc1ccccc1 1.15 680 | B-logD7.4-308 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1nccc2c1cccc2 2.35 681 | B-logD7.4-309 s1c2c(nc1O)c(O)ccc2CCNCCNS(=O)(=O)CCOCCCc1ccccc1 2.22 682 | B-logD7.4-310 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)CCOCCc1cc(SC)ccc1 1.63 683 | B-logD7.4-311 s1c2c(nc1O)c(O)ccc2CCNCCCN(S(=O)(=O)CCOCCc1ccccc1)C 1.24 684 | B-logD7.4-312 s1cnc(C)c1CCOCCCS(=O)(=O)CCNCCc1c2sc(O)nc2c(O)cc1 1.44 685 | B-logD7.4-313 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCNc1ccccc1 1.98 686 | B-logD7.4-314 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ncc(cc1)C 1.56 687 | B-logD7.4-315 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc(NS(=O)(=O)C)cc1 1.34 688 | B-logD7.4-316 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1oc2c(c1)cccc2 2.86 689 | B-logD7.4-317 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccc(cc1)C#N 2 690 | B-logD7.4-319 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCSCCc1ccccc1 1.77 691 | B-logD7.4-320 s1c2c(nc1O)c(O)ccc2CCNCCCNS(=O)(=O)CCOCc1c2c(ccc1)cccc2 1.69 692 | B-logD7.4-321 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCOCCc1ccc(F)cc1 1.57 693 | B-logD7.4-322 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCc1ccccc1C 2.84 694 | B-logD7.4-323 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOCCSc1ccccc1 2.68 695 | B-logD7.4-324 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCOC[C@H](C)c1ccccc1 2.32 696 | B-logD7.4-325 s1c2c(nc1O)c(O)ccc2CCN(CCCOCCOCCc1ccccc1)C 2.44 697 | B-logD7.4-326 s1c(ccc1C)CCCOCCS(=O)(=O)CCCNCCc1c2sc(O)nc2c(O)cc1 2.41 698 | B-logD7.4-327 s1c2c(nc1O)c(O)ccc2CCN(CCCOCCOCCc1ccccc1)CCC 2.74 699 | B-logD7.4-328 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCOCCc1cc(ccc1)C(F)(F)F 2.62 700 | B-logD7.4-329 s1c2c(nc1O)c(O)ccc2CCNCCNS(=O)(=O)CCOCCc1cc(cc(c1)C)C 2.59 701 | B-logD7.4-330 s1c2c(nc1O)c(O)ccc2CCN(CCN(C(=O)CCOCCc1ccccc1)C)C 2.59 702 | B-logD7.4-331 s1c2c(nc1O)c(O)ccc2CCNCCS(=O)(=O)CCCO[C@H](Cc1ccccc1)C 1.81 703 | B-logD7.4-332 Clc1cc(ccc1)CCOCCNS(=O)(=O)CCCNCCc1c2sc(O)nc2c(O)cc1 1.92 704 | B-logD7.4-333 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCOCCSc1ccccc1 1.84 705 | B-logD7.4-334 s1c2c(nc1O)c(O)ccc2CCNCCCS(=O)(=O)NCCOCCc1ccc(cc1)C 2.07 706 | B-logD7.4-335 n1-2c(ccc1)C(=Nc1c-2cccc1)NCCCN1CCN(CC1)CCCNC1=Nc2c(-n3c1ccc3)cccc2 2.52 707 | B-logD7.4-336 O(C)c1cc2-n3c(ccc3)C(=Nc2cc1)NCCCNCCCNC1=Nc2c(-n3c1ccc3)cc(OC)cc2 2.58 708 | B-logD7.4-337 O(C)c1cc2N=C(NCCCNCCCNC3=Nc4cc(OC)ccc4-n4c3ccc4)c3n(-c2cc1)ccc3 2.76 709 | B-logD7.4-338 O(C)c1cc2-n3c(ccc3)C(=Nc2cc1)NCCCN(CCCNC1=Nc2c(-n3c1ccc3)cc(OC)cc2)C 3.41 710 | B-logD7.4-339 O(C)c1cc2N=C(NCCCN(CCCNC3=Nc4cc(OC)ccc4-n4c3ccc4)C)c3n(-c2cc1)ccc3 3.55 711 | B-logD7.4-340 O(C)c1cc2N=C(NCCCN3CCN(CC3)CCCNC3=Nc4cc(OC)ccc4-n4c3ccc4)c3n(-c2cc1)ccc3 3.72 712 | B-logD7.4-341 n1-2c(ccc1)C(=Nc1c-2cccc1)NCCCN(CCCNC1=Nc2c(-n3c1ccc3)cccc2)C 4.12 713 | B-logD7.4-342 Clc1cc2-n3c(ccc3)C(=Nc2cc1)NCCCN(CCCNC1=Nc2c(-n3c1ccc3)cc(Cl)cc2)C 4.44 714 | B-logD7.4-343 O(C)c1cc2-n3c(ccc3)C(=Nc2cc1)NCCCN1CCN(CC1)CCCNC1=Nc2c(-n3c1ccc3)cc(OC)cc2 4.67 715 | B-logD7.4-344 O(C)c1nc2-n3c(ccc3)C(=Nc2cc1)NCCCN1CCN(CC1)CCCNC1=Nc2ccc(OC)nc2-n2c1ccc2 4.73 716 | B-logD7.4-345 Clc1cc2-n3c(ccc3)C(=Nc2cc1)NCCCN1CCN(CC1)CCCNC1=Nc2c(-n3c1ccc3)cc(Cl)cc2 4.92 717 | B-logD7.4-347 Clc1cc2-n3c(ccc3)C(=Nc2cc1)NCCCNCCCNC1=Nc2c(-n3c1ccc3)cc(Cl)cc2 5.06 718 | B-logD7.4-348 Clc1n-2c(cc1)C(=Nc1cc(OC)ccc1-2)NCCCN1CCN(CC1)CCCNC1=Nc2cc(OC)ccc2-n2c1ccc2Cl 5.74 719 | B-logD7.4-351 Fc1cc(F)cc(F)c1CN1c2c(cccc2)[C@](NCC1=O)([C@H](Oc1nc(cc(n1)C)C)C(O)=O)c1ccccc1 0.4 720 | B-logD7.4-352 Fc1cc(F)cc(F)c1CN1c2c(cccc2)[C@](NCC1=O)([C@H](Oc1nc(cc(n1)C)C)C(O)=O)c1cc(ccc1)-c1ccccc1 1.8 721 | B-logD7.4-353 Fc1cc(F)cc(F)c1CN1c2c(cccc2)[C@](NCC1=O)([C@H](Oc1cc(cc(c1)C)C)C(O)=O)c1ccccc1 2.1 722 | B-logD7.4-354 Fc1cc(F)cc(F)c1CN1c2c(cccc2)[C@](NCC1=O)([C@H](Oc1nc(cc(n1)C)C)C(O)=O)c1cc(ccc1)CCCC 2.3 723 | B-logD7.4-355 Fc1c(NC(=O)Cc2[nH]nc(Nc3ncnc4c3cc(OC)c(OCCCN(CCO)CC)c4)c2)cccc1F 1.9 724 | B-logD7.4-356 Fc1c(NC(=O)Cc2[nH]nc(Nc3ncnc4c3cc(OC)c(OCCCN3CCC[C@@H]3CO)c4)c2)cccc1F 2 725 | B-logD7.4-357 Fc1c(NC(=O)Cc2[nH]nc(Nc3ncnc4c3ccc(OCCCN3CCC[C@@H]3CO)c4)c2)cccc1F 2.1 726 | B-logD7.4-358 Fc1cc(NC(=O)Cc2[nH]nc(Nc3ncnc4c3cc(OC)c(OCCCN3CCC(CC3)CO)c4)c2)ccc1 2.1 727 | B-logD7.4-359 Fc1cc(NC(=O)Cc2[nH]nc(Nc3ncnc4c3cc(OC)c(OCCCN(CCO)CC)c4)c2)ccc1 2.1 728 | B-logD7.4-360 Fc1c(NC(=O)Cc2[nH]nc(Nc3ncnc4c3cc(OC)c(OCCCN(CCC)CCO)c4)c2)cccc1F 2.3 729 | B-logD7.4-4 OC(=O)[C@H]1N(CCC1)C(=O)[C@@H](N[C@@H](CCc1ccccc1)C(O)=O)CCCCN -3.4 730 | B-logD7.4-53 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(O)=O)CC1CCCCC1)Cc1ccccc1 2.8 731 | B-logD7.4-54 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCC(N)(C)C)CC1CCCCC1)Cc1ccccc1 3.5 732 | B-logD7.4-56 o1nc(nc1N)NCCNC(=O)[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 4.4 733 | B-logD7.4-58 O1CC[N+]([O-])(CC1)CCCNC(=O)[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 3.6 734 | B-logD7.4-60 O1CC[N+]([O-])(CC1)CCNC(=O)[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 4.07 735 | B-logD7.4-65 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCC(N)(C)C)CC1CCCCC1)Cc1ccccc1 3.8 736 | B-logD7.4-71 o1nc(nc1N)NCCNC(=O)[C@H](C(C)C)C[C@H](O)[C@@H](NC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)CCCC)CC1CCCCC1 4.11 737 | B-logD7.4-73 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCN)CC1CCCCC1)Cc1ccccc1 3.5 738 | B-logD7.4-74 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(=O)C)CC1CCCCC1)Cc1ccccc1 4.3 739 | B-logD7.4-75 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(=O)N)CC1CCCCC1)Cc1ccccc1 4.2 740 | B-logD7.4-78 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCC\N=C(/NC#N)\N)CC1CCCCC1)Cc1ccccc1 4.5 741 | B-logD7.4-79 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCC\N=C(/NC#N)\NC)CC1CCCCC1)Cc1ccccc1 4.4 742 | B-logD7.4-8 S(=O)(=O)(c1cc(CN(C)C)c(O)cc1)c1cc(S(=O)(=O)N)oc1 0.11 743 | B-logD7.4-81 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNc1nc([nH]n1)N)CC1CCCCC1)Cc1ccccc1 4.2 744 | B-logD7.4-82 O(COC)C1CCN(CC1)C(=O)[C@@H](O[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCNc1nc([nH]n1)N)CC1CCCCC1)Cc1ccccc1 4 745 | B-logD7.4-85 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCC(O)=O)CC1CCCCC1)Cc1ccccc1 2.8 746 | B-logD7.4-86 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN)CC1CCCCC1)Cc1ccccc1 3.3 747 | B-logD7.4-87 O(COC)C1CCN(CC1)C(=O)[C@@H](N[C@@H](CCCC)C(=O)N[C@H]([C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNCCO)CC1CCCCC1)Cc1ccccc1 3.5 748 | B-logD7.4-9 s1cc(cc1S(=O)(=O)N)C(=O)c1ccc(cc1)CNC 0.14 749 | B-logD7.4-93 N(C(Nc1ccccc1C)=N)c1ccccc1C 0.7 750 | B-logD7.4-94 N(C(Nc1ccc(cc1)CC)=N)c1ccc(cc1)CC 1.7 751 | B-logD7.4-97 N(C(Nc1ccc(cc1)C(C)C)=N)c1ccc(cc1)C(C)C 2.72 752 | B-logD7.4-99 N(C(Nc1ccc(cc1)C(CC)C)=N)c1c2c3c(CCc3ccc2)cc1 3.31 753 | C-logD7.4-11 S(=O)(=O)(Nc1cc2c(N=C(NC2=O)N)cc1)c1ccc(cc1)C(=O)N[C@@H](CCC(OCC)=O)C(OCC)=O 2.46 754 | C-logD7.4-13 O=C(N1CCc2c1cc1c(nc(cc1C)C)c2)C 2.64 755 | C-logD7.4-135 o1c(nnc1-c1occc1)-c1cc(NC(=O)CCC2CCCCC2)ccc1 6.84 756 | C-logD7.4-14 Clc1sc(cc1)-c1oc(nn1)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2.83 757 | C-logD7.4-15 O(CCCON1C(NC(=NC1=N)N)(C)C)c1ccccc1C 2.83 758 | C-logD7.4-16 O(N1C(N=C(N=C1N)N)(C)C)CCc1cc2c(cc1)cccc2 2.92 759 | C-logD7.4-17 O(C)c1ccc(Nc2ccccc2NC(=O)c2ccc(O)nc2)cc1 2.92 760 | C-logD7.4-18 O(CCCON1C(NC(=NC1=N)N)(C)C)c1ccc(cc1CCC)C(=O)C 2.92 761 | C-logD7.4-19 s1cccc1CNC(=O)c1n2c(nc1C)C=CC=C2 2.92 762 | C-logD7.4-20 O1c2cc(ccc2OC1)CNC(=O)c1n2c(nc1C)C=CC=C2 3.02 763 | C-logD7.4-21 o1cccc1CNC(=O)c1n2C=C(C=Cc2nc1C)C 3.02 764 | C-logD7.4-22 o1c(ccc1[N+](=O)[O-])C(=O)NNC(=O)c1cc2c(cc1)cccc2 3.02 765 | C-logD7.4-23 ClC1=Nn2c(nnc2C(F)(F)F)C=C1 3.11 766 | C-logD7.4-24 Fc1ccc(Oc2cc(cnc2)-c2cc3nc([nH]c3cc2)N)cc1 3.11 767 | C-logD7.4-25 s1c2cc(OC)ccc2cc1C(=O)Nc1ccc(cc1)C1CCN(CC1)C 3.11 768 | C-logD7.4-26 O(CCCON1C(NC(=NC1=N)N)(C)C)c1cc(cc(c1)C)C 3.2 769 | C-logD7.4-27 O=C(NCc1ccccc1)c1n2c(nc1C)C=CC=C2 3.2 770 | C-logD7.4-31 O(C)c1ccc(cc1)CCNC(=O)c1n2c(nc1C)C=CC=C2 3.39 771 | C-logD7.4-32 O=C(NCC(C)C)c1n2C=C(C=Cc2nc1C)C 3.39 772 | C-logD7.4-33 Clc1cc(Cl)ccc1OCCCON1C(NC(=NC1=N)N)(C)C 3.39 773 | C-logD7.4-36 Brc1n2C=CC=Nc2nc1-c1cc2OCOc2cc1 3.48 774 | C-logD7.4-37 O(c1ccc(-n2ccnc2)cc1)c1nc(ncc1)N1C[C@@H](NCC1)Cc1ccccc1 3.58 775 | C-logD7.4-4 n1cc(c2c(cccc2)c1)-c1ccc(cc1)CNCC1CCNC1 1.52 776 | C-logD7.4-40 Clc1sc(cc1)C(=O)Nc1oc(nn1)-c1ccc(SC)cc1 3.76 777 | C-logD7.4-41 Fc1ccc(cc1)-c1oc(nc1COCC(F)(F)F)C1CCN(CC1)CCc1ccc(cc1)C(N)=N 3.76 778 | C-logD7.4-42 O(CC(=O)NCc1ccccc1)c1cc(nc2c1cc(OC)cc2)C 3.86 779 | C-logD7.4-43 s1cccc1-c1nc2n(C=CC(=C2)C)c1NC(=O)Cc1ccc(OC)cc1 3.95 780 | C-logD7.4-45 O(c1nc(ncc1C)N1C[C@@H](NCC1)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 4.04 781 | C-logD7.4-47 Clc1ccc(cc1)CNC(=O)c1n2c(nc1C)C=CC=C2 4.04 782 | C-logD7.4-48 FC(F)(F)c1nc2n(C=CC=C2)c1C(=O)NCc1cc2OCOc2cc1 4.23 783 | C-logD7.4-49 Clc1cc(ccc1)CNc1nnc(c2c1cccc2)C 4.32 784 | C-logD7.4-5 s1c(ccc1CNc1cccnc1)-c1cc2c(cc1OC1CCNCC1)cncc2 1.9 785 | C-logD7.4-50 FC(F)(F)c1nc2n(C=C(C=C2)C)c1C(=O)NCc1occc1 4.32 786 | C-logD7.4-51 o1c(ccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(cc1)COc1ccc(OCC)cc1 4.32 787 | C-logD7.4-54 S(c1c2c(nc(nc2N)N)ccc1)c1cc2c(cc1)cccc2 4.41 788 | C-logD7.4-55 s1cc(nc1-c1ccccc1NC(OCC1CCNCC1)=O)C1CCC1 4.41 789 | C-logD7.4-57 Clc1ccc(cc1)-c1oc(nn1)NC(=O)c1cc(ccc1)C(F)(F)F 4.51 790 | C-logD7.4-58 o1cccc1C=CC(=O)N1CCN(CC1)Cc1cc2OCOc2cc1 4.51 791 | C-logD7.4-6 S(c1nc(ncc1)N1CCN(CC1)c1ccncc1)c1nnc(n1CCCN1CCOCC1)-c1ncccc1 2.08 792 | C-logD7.4-73 s1nc(nc1SCC(=O)N1CCCC1)-c1ccc(OC)cc1 4.97 793 | C-logD7.4-8 S(c1nc(ncc1)N1CCN(CC1)c1ccncc1)c1nnc(n1CCN1CCOCC1)Cc1ccccc1 2.18 794 | C-logD7.4-83 Clc1c2c(sc1C(=O)NC=1SCCN=1)cc(F)cc2 5.16 795 | C-logD7.4-9 [nH]1c2c(cc(cc2)C)c(c1C1CCCNC1)-c1ccncc1 2.18 796 | E-logD7.4-1 O(C)c1ccc(cc1)/C(=N\O)/COC 1.64 797 | E-logD7.4-10 Fc1cc(N\C(=N/O)\c2ccc(OC)cc2)ccc1 3.09 798 | E-logD7.4-11 O(C)c1ccc(cc1)/C(=N\O)/Nc1ccccc1 3.1 799 | E-logD7.4-12 o1c(nc(CNCCC2N(CCC2)C)c1C)-c1cc(ccc1)C 3.3 800 | E-logD7.4-13 o1c(nc(CNCCC2N(CCC2)C)c1C)-c1ccc(cc1)C 3.3 801 | E-logD7.4-14 Fc1cc(ccc1)-c1nn2c(N=C(C=C2N2CCNCC2)C)c1 3.44 802 | E-logD7.4-15 O(C)c1ccccc1/C(=N/O)/NC1CCCCC1 3.6 803 | E-logD7.4-16 FC(F)(F)c1cc(N\C(=N/O)\c2ccc(OC)cc2)ccc1 3.67 804 | E-logD7.4-17 Fc1cc(ccc1)-c1nn2c(N=C(C=C2NCCCn2ccnc2)C)c1 3.67 805 | E-logD7.4-18 Fc1cccc(F)c1/C(=N/O)/NC1CCCCC1 3.67 806 | E-logD7.4-19 O(C)c1ccc(cc1)/C(=N\O)/Nc1cc(ccc1)CC 3.76 807 | E-logD7.4-2 O(C(=O)c1ccccc1)C1=CC(=O)N(C1)C 2.34 808 | E-logD7.4-20 O(c1ccccc1OC)c1ncccc1/C(=N\O)/NC1CCCCC1 3.77 809 | E-logD7.4-21 O(C)c1ccc(cc1)/C(=N/O)/NC1CCCCC1 3.82 810 | E-logD7.4-22 O(C)c1cc(ccc1)/C(=N/O)/NC1CCCCC1 3.84 811 | E-logD7.4-23 O\N=C(/NC1CCCCC1)\c1ccccc1 3.9 812 | E-logD7.4-24 O(c1ncccc1/C(=N\O)/NC1CCCCC1)c1ccccc1 3.92 813 | E-logD7.4-25 O\N=C(/NCC1CC1)\c1ccccc1-c1ccccc1 4 814 | E-logD7.4-26 Fc1ccc(N\C(=N\O)\c2ccccc2-c2ccccc2)cc1 3.98 815 | E-logD7.4-27 Fc1ccccc1Oc1ncccc1/C(=N\O)/NC1CCCCC1 3.99 816 | E-logD7.4-28 O(c1ccc(cc1OC)C)c1ncccc1/C(=N/O)/NC1CCCCC1 4.02 817 | E-logD7.4-29 Fc1ccc(cc1)/C(=N/O)/NC1CCCCC1 4.02 818 | E-logD7.4-3 O(C)c1ccc(cc1)/C(=N/O)/Nc1cc(ccc1)C#N 2.41 819 | E-logD7.4-33 Fc1ccc(cc1)-c1nn2c(N=C(C=C2N2CCNCC2)C(C)(C)C)c1 4.15 820 | E-logD7.4-34 o1cc(nc1-c1ccc(OC)cc1)CNC(CCCCC)C 4.16 821 | E-logD7.4-35 o1cc(nc1-c1ccc(OCC(=O)c2ccccc2)cc1)CNC(CCCCC)C 4.16 822 | E-logD7.4-36 Fc1ccc(cc1)-c1nn2c(N=C(C=C2NC2CCNCC2)c2ccccc2)c1 4.2 823 | E-logD7.4-37 N(Cc1ccc(cc1)-c1ccccc1)C(CCCCC)C 4.2 824 | E-logD7.4-4 O(C(=O)c1ccc(OC)cc1)C1=CC(=O)N(C1)C 2.72 825 | E-logD7.4-40 O\N=C(/NC1CCCC1)\c1ccccc1-c1ccccc1 4.3 826 | E-logD7.4-41 O(c1ccccc1CC)c1ncccc1/C(=N\O)/NC1CCCCC1 4.31 827 | E-logD7.4-42 O\N=C(/Nc1ccccc1)\c1ccccc1-c1ccccc1 4.32 828 | E-logD7.4-43 o1cc(nc1-c1cc(OC)ccc1)CNC(CCCCC)C 4.32 829 | E-logD7.4-44 O(c1ncccc1/C(=N/O)/NC1CCCCC1)c1ccc(cc1)C 4.32 830 | E-logD7.4-45 O\N=C(/NC1CCCCC1)\C1CCCCC1 4.41 831 | E-logD7.4-46 O\N=C(\NC1CCCCC1)/c1c2c(ccc1)cccc2 4.43 832 | E-logD7.4-47 O(c1ccccc1/C(=N/O)/NC1CCCCC1)c1ccccc1 4.43 833 | E-logD7.4-48 Fc1cc(ccc1)-c1nn2c(N=C(C=C2NCCCN2CCOCC2)C)c1 4.44 834 | E-logD7.4-49 O\N=C(/N1CCCCC1)\c1ccccc1-c1ccccc1 4.46 835 | E-logD7.4-5 O\N=C(/CNC1CCCCC1)\c1ccccc1 2.78 836 | E-logD7.4-50 Clc1ccccc1Oc1ncccc1/C(=N\O)/NC1CCCCC1 4.52 837 | E-logD7.4-51 O\N=C(/NC1CCCCC1)\c1ccccc1-c1ccccc1 4.53 838 | E-logD7.4-53 o1cc(nc1-c1ccc(OC(C)C)cc1)CNC(CCCCC)C 4.56 839 | E-logD7.4-54 O\N=C(/NC1CCCCC1)\c1ccc(cc1)CC 4.6 840 | E-logD7.4-55 o1cc(nc1-c1ccc(OCCCC)cc1)CNCCC1N(CCC1)C 4.64 841 | E-logD7.4-56 o1cc(nc1-c1ccc(cc1)C)CNC(CCCCC)C 4.66 842 | E-logD7.4-57 O\N=C(/NCC(C)(C)C)\c1ccccc1-c1ccccc1 4.67 843 | E-logD7.4-58 o1cc(nc1-c1ccc(Oc2ccccc2)cc1)CNC(CCCCC)C 4.67 844 | E-logD7.4-59 o1cc(nc1-c1ccc(cc1)CCCC)CNCCC1N(CCC1)C 4.69 845 | E-logD7.4-6 O\N=C(/NC1CCCCC1)\c1cccnc1 2.82 846 | E-logD7.4-60 Fc1ccc(cc1)-c1nn2c(N=C(C=C2NCCCN2CCCC2=O)c2ccccc2)c1 4.77 847 | E-logD7.4-61 Fc1cc(ccc1)-c1nn2c(N=C(C=C2NCCCN2CCCC2)c2ccccc2)c1 4.79 848 | E-logD7.4-62 o1cc(nc1-c1cc(OCC)ccc1)CNC(CCCCC)C 4.83 849 | E-logD7.4-63 Fc1ccc(cc1)-c1nn2c(N=C(C=C2NCCCN(CC)CC)c2ccccc2)c1 4.84 850 | E-logD7.4-65 o1cc(nc1-c1ccc(cc1)CCCC)CNCCN1CCCC1 4.89 851 | E-logD7.4-66 o1cc(nc1-c1ccc(cc1)-c1ccccc1)CNC(CCCCC)C 4.94 852 | E-logD7.4-67 o1cc(nc1-c1ccc(OCC)cc1)CNC(CCCCC)C 4.95 853 | E-logD7.4-7 N(C(=N)c1ccccc1-c1ccccc1)C1CCCCC1 2.87 854 | E-logD7.4-70 o1cc(nc1-c1ccc(OCCCC)cc1)CNC(CCCCC)C 5.01 855 | E-logD7.4-71 Clc1ccc(cc1)-c1occ(n1)CNC(CCCCC)C 5.02 856 | E-logD7.4-72 Clc1cc(ccc1)-c1occ(n1)CNC(CCCCC)C 5.02 857 | E-logD7.4-77 o1cc(nc1-c1ccc(OCCCCC)cc1)CNCCC1N(CCC1)C 5.2 858 | E-logD7.4-8 O(C)c1ccc(cc1)/C(=N/O)/CNC1CCCCC1 2.93 859 | E-logD7.4-85 o1cc(nc1-c1ccc(OCC)cc1)CNC1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 5.22 860 | E-logD7.4-86 o1cc(nc1-c1ccc(OCCCC)cc1)CNC1CCCCCC1 5.34 861 | E-logD7.4-87 o1cc(nc1-c1ccc(cc1)C(C)(C)C)CNC1CCCCCC1 5.41 862 | E-logD7.4-88 o1cc(nc1-c1ccc(cc1)CCCC)CNC1CCCCCC1 5.49 863 | E-logD7.4-89 o1cc(nc1-c1ccc(OCC)cc1)CNC[C@H]1[C@@H]2C[C@H](CC1)C2(C)C 5.5 864 | E-logD7.4-9 Fc1ccc(N\C(=N/O)\c2ccc(OC)cc2)cc1 3.02 865 | E-logD7.4-90 o1cc(nc1-c1ccc(cc1)CCCC)CNC(CCCCC)C 5.51 866 | E-logD7.4-91 o1cc(nc1-c1ccc(cc1)CCCC)CNC1CC(CC(C1)C)(C)C 5.99 867 | E-logD7.4-92 o1cc(nc1-c1ccc(OCCCCC)cc1)CNC1CC(CC(C1)C)(C)C 6.02 868 | E-logD7.4-93 o1cc(nc1-c1ccc(OCCCCC)cc1)CNC[C@H]1[C@@H]2C[C@H](CC1)C2(C)C 6.45 869 | E-logD7.4-94 o1cc(nc1-c1ccc(OCCCCC)cc1)CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 6.5 870 | E-logD7.4-95 o1cc(nc1-c1ccc(cc1)CCCC)CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 6.6 871 | E-logD7.4-96 o1cc(nc1-c1ccc(cc1)CCCC)CNC[C@H]1[C@@H]2C[C@H](CC1)C2(C)C 6.68 872 | F-logD7.4-12 OC1=CC=CN(CC(=O)NC(C)C)C1=O -0.34 873 | F-logD7.4-13 OC1=CC=CN(CC(=O)NCCC)C1=O -0.24 874 | F-logD7.4-14 OC1=CC=CN(C)C1=O -0.22 875 | F-logD7.4-15 OC1=CC=CN(CC)C1=O 0.2 876 | F-logD7.4-17 OC1=CC=CN(CC(=O)NCCCC)C1=O 0.33 877 | F-logD7.4-21 OC1=CC=CN(CCCC)C1=O 1.2 878 | F-logD7.4-27 OC=1C(=O)C=CN(CCCN)C=1C -2.1 879 | F-logD7.4-30 OC=1C(=O)C=CN(CCC(=O)NC)C=1C -1.1 880 | F-logD7.4-49 OC=1C(=O)C=CN(CCC(=O)NCCCC)C=1C 0.1 881 | F-logD7.4-52 OC=1C(=O)C=CN(CC)C=1CC 0.25 882 | F-logD7.4-6 OC1=CC=CN(CC(=O)NC)C1=O -1.15 883 | F-logD7.4-60 OC=1C(=O)C=CN(CCCCCC)C=1CC 2.28 884 | F-logD7.4-61 OC=1C(=O)C=CN(CCCCCCCC)C=1C 2.88 885 | G-logD7.4-26 O(C)C1=CC=C2c3c(cc(OC)c(OC)c3OC)CC[C@H](NC(=O)C)C2=CC1=O 0.9 886 | G-logD7.4-60 Clc1cc(N2CCN(CC2)CCCN2N=C(N(CCOc3ccccc3)C2=O)CC)ccc1 4.83 887 | G-logD7.4-62 Clc1cc(Cl)ccc1[C@@]1(O[C@H](CO1)COc1ccc(N2CCN(CC2)c2ccc(N3C=NN(C(CC)C)C3=O)cc2)cc1)Cn1ncnc1 5.79 888 | H-logDsf-8 N1(CCC(CC1)=C1c2c(C=Cc3c1cccc3)cccc2)C 3.11 889 | I-logDoct-PBS-11 n1cccnc1Cc1cc(ccc1)CN -1.11 890 | I-logDoct-PBS-12 n1cccnc1Cc1cc(ccc1)C(N)=N -1.03 891 | I-logDoct-PBS-13 n1n(ccc1)Cc1cc(ccc1)CN -0.77 892 | I-logDoct-PBS-14 OC(=O)c1cc(ccc1)Cn1c2c(nc1)cccc2 -0.72 893 | I-logDoct-PBS-15 OC(=O)c1ccc(cc1)Cn1c2c(nc1)cccc2 -0.61 894 | I-logDoct-PBS-16 O=C(N)c1cc(ccc1)Cn1ccnc1 -0.01 895 | I-logDoct-PBS-17 n1c2c(n(c1)Cc1cc(ccc1)CN)cccc2 0.21 896 | I-logDoct-PBS-18 [nH]1nc(nn1)-c1cc(ccc1)Cn1c2c(nc1)cccc2 0.27 897 | I-logDoct-PBS-19 O=C(N)c1cc(ccc1)Cc1ncccn1 0.28 898 | I-logDoct-PBS-2 OC(=O)c1ccc(cc1)Cc1ncccn1 -2.2 899 | I-logDoct-PBS-20 O=C(N)c1cc(ccc1)Cn1nccc1 0.71 900 | I-logDoct-PBS-21 n1ccn(c1)Cc1cc(ccc1)C#N 1.01 901 | I-logDoct-PBS-22 S(=O)(=O)(N)c1ccc(cc1)Cn1c2c(nc1)cccc2 1.04 902 | I-logDoct-PBS-23 n1cccnc1Cc1cc(ccc1)C#N 1.46 903 | I-logDoct-PBS-24 O=C(N)c1cc(ccc1)Cn1c2c(nc1)cccc2 1.7 904 | I-logDoct-PBS-25 n1n(ccc1)Cc1cc(ccc1)C#N 1.74 905 | I-logDoct-PBS-27 n1ccn(c1)Cc1ccccc1 1.78 906 | I-logDoct-PBS-28 n1c2c(n(c1)Cc1cc(N)ccc1)cccc2 1.92 907 | I-logDoct-PBS-29 S(=O)(=O)(Nc1cc(ccc1)Cn1c2c(nc1)cccc2)C 2.08 908 | I-logDoct-PBS-3 OC(=O)c1ccc(cc1)Cn1ccnc1 -2.1 909 | I-logDoct-PBS-30 n1c2c(n(c1)Cc1cc(ccc1)C#N)cccc2 2.47 910 | I-logDoct-PBS-31 n1c2c(n(c1)Cc1ccccc1)cccc2 2.91 911 | I-logDoct-PBS-4 OC(=O)c1cc(ccc1)Cn1ccnc1 -2.07 912 | I-logDoct-PBS-5 OC(=O)c1cc(ccc1)Cc1ncccn1 -1.98 913 | I-logDoct-PBS-6 OC(=O)Cc1ccc(cc1)Cn1nccc1 -1.8 914 | I-logDoct-PBS-7 OC(=O)c1ccc(cc1)Cn1nccc1 -1.65 915 | I-logDoct-PBS-8 OC(=O)c1cc(ccc1)Cn1nccc1 -1.62 916 | I-logDoct-PBS-9 [nH]1nc(nn1)-c1cc(ccc1)Cc1ncccn1 -1.28 917 | J-D7.4-1 OC=1C(=O)C=CN(C)C=1CO -1.32 918 | J-D7.4-10 OC=1C(=O)C=C(N(C)C=1C(O)C)C -0.61 919 | J-D7.4-11 OC=1C(=O)C=CN(CC)C=1C(O)C -0.56 920 | J-D7.4-12 OC=1C(=O)C=C(N(C)C=1C(O)CC)C -0.13 921 | J-D7.4-14 OC=1C(=O)C=CN(CCCOC(=O)c2ccccc2)C=1CO 0.75 922 | J-D7.4-15 OC=1C(=O)C=CN(CCOC(=O)C(C)(C)C)C=1CC 1.16 923 | J-D7.4-16 OC=1C(=O)C=CN(CCCOC(=O)c2ccccc2)C=1C 1.25 924 | J-D7.4-2 OC=1C(=O)C=CN(CCCO)C=1CO -1.25 925 | J-D7.4-3 OC=1C(=O)C=CN(CCCO)C=1C(O)C -1.12 926 | J-D7.4-4 OC=1C(=O)C=C(N(C)C=1CO)C -1.01 927 | J-D7.4-6 OC=1C(=O)C=CN(CC)C=1CO -0.85 928 | J-D7.4-9 OC=1C(=O)C=C(N(CC)C=1CO)C -0.65 929 | O-1 Clc1cc(Cl)ccc1[C@]1(O[C@@H](CO1)COc1ccc(N2CCN(CC2)C(=O)C)cc1)Cn1ccnc1 3.83 930 | O-10 O=C1C=C2[C@@]([C@H]3[C@@H]([C@H]4CC[C@](O)(C(=O)CO)[C@@]4(C[C@H]3O)C)C[C@H]2C)(C=C1)C 2.1 931 | O-103 Oc1ccccc1C(O)=O -2.14 932 | O-104 S(=O)(=O)(Nc1ncccc1)c1ccc(N\N=C/2\C=C(C(O)=O)C(=O)C=C\2)cc1 -0.13 933 | O-107 O=C1CC[C@@]2([C@@H]3[C@H]([C@@H]4CC[C@H](O)[C@]4(CC3)C)CCC2=C1)C 3.31 934 | O-109 S(C)c1cc2c(N=CN(\C=C\C(O)=O)C2=O)cc1 -1.05 935 | O-11 O1C[C@H]2[C@@H]([C@@H](c3c(cc4OCOc4c3)[C@H]2O[C@@H]2O[C@H]3[C@@H](O[C@@H](OC3)C)[C@@H](O)[C@H]2O)c2cc(OC)c(O)c(OC)c2)C1=O 1.82 936 | O-110 O(C)c1cc(ccc1OC)C(C(C)C)(CCCN(CCc1cc(OC)c(OC)cc1)C)C#N 2.36 937 | O-114 Clc1ccccc1C(n1ccnc1)(c1ccccc1)c1ccccc1 5.2 938 | O-116 Fc1cc(F)ccc1C(O)(Cn1ncnc1)Cn1ncnc1 0.5 939 | O-118 OCCn1c(ncc1[N+](=O)[O-])C -0.02 940 | O-119 Brc1cc2c(NC(=O)CN=C2c2ncccc2)cc1 1.65 941 | O-121 Clc1c2O[C@]3([C@@H](CC(=O)C=C3OC)C)C(=O)c2c(OC)cc1OC 2.18 942 | O-122 O=C1CC[C@]2([C@@H]3[C@H]([C@H]4CC[C@](O)(C(=O)COC(=O)C)[C@@]4(C[C@H]3O)C)CCC2=C1)C 2.19 943 | O-123 Clc1ccccc1C1=N[C@H](O)C(=O)N(c2c1cc(Cl)cc2)C 2.72 944 | O-124 S=C(Oc1cc2c(cc1)cccc2)Nc1cc(ccc1)C 5.4 945 | O-128 n1ccn(c1)[C@@H](c1ccc(cc1)-c1ccccc1)c1ccccc1 4.77 946 | O-13 OC(=O)C1CCC(CC1)CN -3 947 | O-130 Clc1cc(N2CCN(CC2)CCCN2N=C3N(C=CC=C3)C2=O)ccc1 2.54 948 | O-131 o1c(ccc1[N+](=O)[O-])\C=N\O 1.28 949 | O-133 c12c(cccc1)cccc2 3.37 950 | O-14 o1cccc1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 1.88 951 | O-145 OC(=O)C(C)c1ccc(cc1)CC(C)C 0.88 952 | O-146 O=C1CC[C@@]2([C@@H]3[C@H]([C@@H]4CC[C@](O)(C(=O)CO)[C@]4(C[C@@H]3O)C)CCC2=C1)C 1.54 953 | O-147 Clc1c(cccc1Cl)C1C(C(OCC)=O)=C(NC(C)=C1C(OC)=O)C 4.2 954 | O-148 O1[C@H]2[C@H]3N([C@H]([C@@H]12)CC(OC(=O)C(CO)c1ccccc1)C3)C 0.21 955 | O-15 O1c2c(C(=O)C=C1C(O)=O)c(OCC(O)COc1c3c(OC(=CC3=O)C(O)=O)ccc1)ccc2 -1.15 956 | O-150 S(=O)(=O)(Nc1ccc(cc1)C(O)CNC(C)C)C -1.38 957 | O-151 O=C1c2c(n(c3c2cccc3)C)CCC1Cn1ccnc1C 2.3 958 | O-152 S1C[C@H](O[C@H]1CO)N1C=CC(=NC1=O)N -0.92 959 | O-158 s1cc(nc1)-c1[nH]c2c(n1)cccc2 1.94 960 | O-16 Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N -0.05 961 | O-160 n1c2c(cccc2)ccc1 2.15 962 | O-163 O(CC)C(=O)NC(=N)c1cc2[nH]c(nc2cc1)Cc1[nH]c2c(n1)cccc2 1.5 963 | O-164 O\N=C(/N)\c1cc2[nH]c(nc2cc1)-c1ncccc1 1.6 964 | O-166 O\N=C(/N)\c1cc2[nH]c(nc2cc1)Cc1[nH]c2nccc(c2n1)C 1 965 | O-17 Clc1ccc(OC(C(OCC)=O)(C)C)cc1 3.39 966 | O-170 OC(=O)[C@H](C)c1ccc(cc1)CC(C)C 1.44 967 | O-171 O(C(=O)c1ccc(N)cc1)CCN(CC)CC 0.43 968 | O-173 O1c2c(cccc2)C(O)=C([C@@H](CC(=O)C)c2ccccc2)C1=O 1.12 969 | O-174 [Br-].O1c2c(cccc2)C(c2c1cccc2)C(OCC[N+](C(C)C)(C(C)C)C)=O -1.07 970 | O-175 [Br-].[n+]1(c2cc(N)ccc2c2c(cc(N)cc2)c1-c1ccccc1)CC -1.1 971 | O-177 [Br-].O1c2c(cccc2)C(c2c1cccc2)C(OC1CC2[N+](C(C1)CC2)(C)C)=O -1.45 972 | O-18 Fc1cc2c(-n3c(CN(C)C2=O)c(nc3)C(OCC)=O)cc1 1.21 973 | O-180 S(Cc1nc[nH]c1C)CC\N=C(\NC#N)/NC 0.33 974 | O-185 Clc1cc(Cl)ccc1C1(OC(CO1)CCC)Cn1ncnc1 3.5 975 | O-189 s1c(nnc1NS(=O)(=O)c1ccc(N)cc1)C -1.11 976 | O-19 S1[C@H]2N(C(C(O)=O)=C(C1)C)C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1 -1.77 977 | O-190 Clc1ccc(OC(n2ncnc2)C(=O)C(C)(C)C)cc1 2.77 978 | O-191 Clc1cc(Cl)ccc1[C@@]1(O[C@H](CO1)COc1ccc(N2CCN(CC2)C(=O)C)cc1)Cn1ccnc1 4.33 979 | O-192 S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(cc1)CCNC(=O)c1ncc(nc1)C 1.91 980 | O-193 O1[C@H](C)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)C(=O)[C@@]2(OC2)C[C@H](C)[C@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2OC(=O)C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC)C2)[C@@H](C)C1=O 3.2 981 | O-194 n1ccn(c1)C -0.06 982 | O-195 O=C(C(C)(C)c1cccnc1)c1cccnc1 1.5 983 | O-197 Oc1cccnc1 0.52 984 | O-198 S(=O)(Cc1ncccc1)c1[nH]c2c(n1)cccc2 1.33 985 | O-199 Clc1cc(Cl)ccc1C(OCc1ccc(Cl)cc1)Cn1ccnc1 5.25 986 | O-2 OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 -0.27 987 | O-20 S1[C@H]2N([C@H](C(O)=O)C1C)C(=O)[C@H]2NC(=O)COc1ccccc1 -0.62 988 | O-201 [nH]1ccnc1C -0.99 989 | O-202 O(C(=O)C(=O)Nc1cc(ccc1)-c1nn[nH]n1)CCCC -0.54 990 | O-204 S=C(NC1CCCCC1)N1CCC(CC1)c1nc[nH]c1 2.59 991 | O-205 S1(=O)(=O)N(C)C(C(=O)Nc2ncccc2)=C(O)c2c1cccc2 0.26 992 | O-21 O=C1CC[C@@]2([C@@H]3[C@H]([C@H]4CC[C@@H](C(=O)C)[C@@]4(CC3)C)CCC2=C1)C 3.48 993 | O-214 N(CCCN1c2c(CCc3c1cccc3)cccc2)(C)C 2.52 994 | O-216 F[C@@]12[C@H]([C@@H]3C[C@@H](C)[C@](O)(C(=O)CO)[C@]3(C[C@@H]1O)C)CCC1=CC(=O)C=C[C@@]12C 1.74 995 | O-221 O=C1CC[C@@]2([C@@H]3[C@H]([C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@@H]3O)C)CCC2=C1)C 1.89 996 | O-224 S1c2c(N(CCN(C)C)C(=O)C(OC(=O)C)C1c1ccc(OC)cc1)cccc2 2.22 997 | O-225 OC(=O)Cn1cc(cc1)C(=O)c1cc2c(cc1)cccc2 -0.23 998 | O-227 OC(=O)Cn1cc(cc1)C(=O)c1ccc(cc1)C -0.19 999 | O-228 OC(=O)Cn1cc(cc1)C(=O)c1ccc(cc1)C(C)(C)C 0 1000 | O-229 O(C)c1ccc(cc1)C(=O)c1ccn(c1)CC(O)=O -0.96 1001 | O-230 Clc1ccc(cc1)C(=O)c1ccn(c1)CC(O)=O -0.29 1002 | O-231 FC(F)(F)c1ccc(cc1)C(=O)c1ccn(c1)CC(O)=O -0.05 1003 | O-232 OC(=O)Cn1cc(cc1)C(=O)c1ccc([N+](=O)[O-])cc1 -0.72 1004 | O-234 Clc1cc(ccc1)C(=O)c1ccn(c1)CC(O)=O -0.39 1005 | O-235 OC(=O)Cn1cc(c2c1cccc2)C(=O)c1ccccc1 -0.1 1006 | O-236 OC(=O)Cn1cc(cc1C(=O)c1ccccc1)C(=O)c1ccccc1 -0.51 1007 | O-237 O(C)c1ccc(cc1)C(=O)c1cc(n(c1)CC(O)=O)C(=O)c1ccccc1 0.12 1008 | O-238 O(C)c1ccc(cc1)C(=O)c1cc(n(c1)CC(O)=O)C(=O)c1ccc(OC)cc1 0.39 1009 | O-239 O(C)c1ccc(cc1)C(=O)c1n(ccc1)CC(O)=O -0.87 1010 | O-24 O=C1N(N(C)C(C)=C1N(C)C)c1ccccc1 0.63 1011 | O-240 s1c2c(nc1-c1ccn(c1)CC(O)=O)cccc2 -0.35 1012 | O-241 OC(=O)Cc1[nH]c(cc1)C(=O)c1ccccc1 -0.67 1013 | O-242 OC(=O)Cn1cc(cc1)C(=O)c1ccccc1 -0.85 1014 | O-267 O(C)c1cc2N([C@@H]3[C@@]4([C@H]5N(CC=C[C@@]5(CC)[C@@H](OC(=O)C)[C@]3(O)C(OC)=O)CC4)c2cc1[C@@]1(c2[nH]c3c(c2CCN2C[C@@](O)(C[C@H](C1)C2)CC)cccc3)C(OC)=O)C=O 0.45 1015 | O-268 OC(CO)CO -1.9 1016 | O-27 O(CC(O)CNC(C)C)c1c2c(ccc1)cccc2 1.54 1017 | O-270 O1C2C34C(C(N(CC3)C)Cc3c4c1c(O)cc3)C=CC2O -0.44 1018 | O-277 S(=O)(Cc1ncc(C)c(OC)c1C)c1[nH]c2cc(OC)ccc2n1 2.22 1019 | O-289 S1[C@H]2N([C@@H](C(O)=O)C1(C)C)C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1 -2.56 1020 | O-29 O=C1N(N(C)C(=C1)C)c1ccccc1 0.4 1021 | O-298 Clc1cccc(Cl)c1Nc1ccccc1CC(O)=O 1.3 1022 | O-3 Clc1cccc(Cl)c1\C=N\NC(N)=N 1.4 1023 | O-303 O(C[C@H](O)CNC(C)C)c1ccccc1CC=C 0.86 1024 | O-306 OC(=O)c1ccccc1N -1.31 1025 | O-308 O1[C@@H](CC)[C@](O)(C)[C@H](O)[C@H](C)\C(=N\OCOCCOC)\[C@@H](C[C@](O)(C)[C@H](O[C@H]2O[C@@H](C[C@@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@](OC)(C2)C)[C@H](C)C1=O)C 1.92 1026 | O-310 S(=O)(=O)(Nc1ncccn1)c1ccc(N)cc1 -0.6 1027 | O-314 n1cc(ccc1)[C@@H]1N(CCC1)C 0.45 1028 | O-316 Clc1cc(ccc1)C(=O)[C@@H](NC(C)(C)C)C 2.61 1029 | O-318 Clc1cc(C(=O)NCCN(CC)CC)c(OC)cc1N 0.41 1030 | O-322 F[C@@]12[C@H]([C@@H]3C[C@H](C)[C@](O)(C(=O)CO)[C@]3(C[C@@H]1O)C)CCC1=CC(=O)C=C[C@@]12C 2.1 1031 | O-325 O1[C@@H]2[C@]34CCN([C@H](Cc5c3c1c(O)cc5)[C@]4(O)CCC2=O)CC=C 1.09 1032 | O-33 O=C1NC(=N)N(C1)C -2 1033 | O-334 S(Cc1oc(cc1)CN(C)C)CCN\C(\NC)=C\[N+](=O)[O-] -0.53 1034 | O-344 OC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1 -0.29 1035 | O-347 Clc1ccc(cc1)-c1c(nc(nc1N)N)CC 2.44 1036 | O-350 Clc1cc\2c(Sc3c(cccc3)/C/2=C/CCN(C)C)cc1 3.71 1037 | O-352 O(Cc1ccccc1)C(=O)NC[C@@H]1C[C@H]2[C@H](N(C1)C)Cc1c3c2cccc3n(c1)C 3.5 1038 | O-354 s1cccc1CC(=O)N[C@@]1(OC)[C@H]2SCC(COC(=O)N)=C(N2C1=O)C(O)=O -0.6 1039 | O-361 OC(=O)c1cc(N)ccc1 -2.38 1040 | O-365 O=C1C=C2CC[C@H]3[C@H]([C@@]2(C=C1)C)C(=O)C[C@]1([C@@H]3CC[C@]1(O)C(=O)CO)C 1.44 1041 | O-367 O(C)c1cc(ccc1OC)Cc1nccc2c1cc(OC)c(OC)c2 2.89 1042 | O-37 O=C1NC(=O)NC1(c1ccccc1)c1ccccc1 2.34 1043 | O-374 S(=O)(=O)(Nc1ccc(cc1)[C@H](O)CNC(C)C)C -1.19 1044 | O-377 Brc1cc2c(nc1)cccc2 2.91 1045 | O-379 Clc1cc2N(c3c(Sc2cc1)cccc3)CCCN(C)C 3.45 1046 | O-38 S1SCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N -1.95 1047 | O-381 O(C(=O)c1ccccc1)[C@H]1C[C@H]2N([C@H](CC2)[C@H]1C(OC)=O)C 1.07 1048 | O-383 Clc1ccc(cc1)[C@H](N1CCN(CC1)CCOCCO)c1ccccc1 3.13 1049 | O-385 s1c(cnc1NC(=O)C=1N(S(=O)(=O)c2c(cccc2)C=1O)C)C 0.12 1050 | O-391 S1(=O)(=O)NC(=O)c2c1cccc2 -1 1051 | O-396 Clc1ccccc1C1=NCC(=O)Nc2c1cc([N+](=O)[O-])cc2 2.45 1052 | O-398 Clc1ccccc1C1=NC(O)C(=O)Nc2c1cc(Cl)cc2 2.39 1053 | O-4 S1[C@H]2N(C(C(O)=O)=C(C1)C)C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1 -1 1054 | O-402 Fc1cc2c3[NH+]([C@@H](CCc3c1)C)[CH-]C(C(O)=O)=C2[O-] 0.65 1055 | O-404 Clc1cc2c(NC(=O)CN=C2c2ccccc2)cc1 3.01 1056 | O-409 OC(=O)c1ccc(N)cc1 -1.77 1057 | O-412 O1c2c3c4c(c(O)c2C)C(O)=C(NC(=O)C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)\C=C/O[C@]1(C)C3=O)C)\C(=C/NN1CCN(CC1)C)\C4=O 0.98 1058 | O-414 F[C@H]1C2=CC(=O)C=CC2([C@H]2[C@@H]([C@H]3C[C@H](C)[C@@H](C(=O)CO)[C@@]3(C[C@H]2O)C)C1)C 2.1 1059 | O-418 OC(=O)[C@H](NC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1 -0.98 1060 | O-426 FC1=CC2=C([O-])C(=C[NH+]3[C@@H](COC(=C1N1CCN(CC1)C)[C-]23)C)C(O)=O -0.34 1061 | O-43 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO -3.1 1062 | O-432 O(C[C@H](O)CNC(C)C)c1c2c(ccc1)cccc2 1.41 1063 | O-434 Clc1cc(O)ccc1 2.56 1064 | O-437 Fc1cc(F)ccc1-c1cc(C(O)=O)c(O)cc1 0.37 1065 | O-440 OC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c2c([nH]c1)cccc2)Cc1ccccc1 -0.5 1066 | O-448 Clc1ccc(cc1S(=O)(=O)N)C1(O)NC(=O)c2c1cccc2 0.78 1067 | O-452 S1[C@H]2N([C@@H](C(O)=O)C1(C)C)C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1 -1.85 1068 | O-456 NC(=N)N1CCc2c(C1)cccc2 -0.87 1069 | O-461 O=C1Nc2c(cc([N+](=O)[O-])cc2)C(=NC1)c1ccccc1 2.38 1070 | O-464 OC[C@@H](NC(=O)[C@@H]1C=C2[C@H](N(C1)C)Cc1c3c2cccc3n(c1)C)CC 2.13 1071 | O-466 O(C[C@H](O)CNC(C)(C)C)c1ccccc1C1CCCC1 2.06 1072 | O-468 O[C@H]([C@@H](NC)C)c1ccccc1 -0.77 1073 | O-471 O=C1N(C)C(=O)N(c2ncn(c12)C[C@@H](O)C)C -0.07 1074 | O-475 O(C)c1cc2c(nccc2[C@H](O)[C@@H]2N3C[C@@H]([C@H](C2)CC3)C=C)cc1 2.41 1075 | O-479 Oc1c(CO)c(cnc1C)CO -0.51 1076 | O-483 s1cccc1C(=O)c1ccc(cc1)C(C(O)=O)C -0.3 1077 | O-485 N([C@@H](Cc1ccccc1)C)(CC#C)C 2.49 1078 | O-490 S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1 0.68 1079 | O-492 Fc1ccc(cc1)C[C@H](N(CC#C)C)C 2.7 1080 | O-494 S(=O)(=O)(Nc1onc(C)c1C)c1ccc(N)cc1 -0.56 1081 | O-499 OC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2 -0.4 1082 | O-5 S(=O)(=O)(N)c1cc(cc(NCCCC)c1Oc1ccccc1)C(O)=O -0.11 1083 | O-507 O(CCNC[C@H](O)COc1c2c3c([nH]c2ccc1)cccc3)c1ccccc1OC 3.53 1084 | O-509 Fc1cc2c(N(C=C(C(O)=O)C2=O)CC)cc1N1CCNCC1 -0.5 1085 | O-51 OC(=O)c1ccccc1 -1.25 1086 | O-511 O=C1C=C2CC[C@@H]3[C@@H]([C@@]2(C=C1)C)[C@H](O)C[C@@]1([C@@H]3CC[C@]1(O)C(=O)CO)C 1.83 1087 | O-521 Brc1[nH]c2c3c1C[C@@H]1N(C[C@@H](C=C1c3ccc2)C(=O)N[C@@]1(O[C@]2(O)N([C@H](CC(C)C)C(=O)N3[C@H]2CCC3)C1=O)C(C)C)C 4.2 1088 | O-524 O(C(=O)c1ccc(N)cc1)CC 1.9 1089 | O-53 O=C1NC(=O)NC(=O)C1(C)c1ccccc1 1.51 1090 | O-531 O(C(=O)C=1C(C(C(OC)=O)=C(NC=1C)C)c1cc([N+](=O)[O-])ccc1)CC 3.5 1091 | O-541 O=C(NCCN(CC)CC)c1ccc(N)cc1 -0.36 1092 | O-543 O1[C@H]2[C@@]34[C@@H]([C@@H](N(CC3)C)Cc3c4c1c(O)cc3)C=C[C@H]2O -0.06 1093 | O-545 O(C[C@H](O)CNC(C)C)c1c2c3c([nH]c2ccc1)cccc3 1.58 1094 | O-555 Oc1ccc(cc1C(=O)N)[C@H](O)CN[C@@H](CCc1ccccc1)C 1.08 1095 | O-556 Fc1cc(ccc1-c1ccccc1)[C@@H](C(O)=O)C 0.91 1096 | O-557 O1[C@H](CC)[C@](O)(C)[C@@H](O)[C@@H](C)C(=O)[C@H](C[C@](O)(C)[C@H](O[C@@H]2O[C@@H](C[C@@H](N(C)C)[C@H]2O)C)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@](OC)(C2)C)[C@@H](C)C1=O)C 1.14 1097 | O-559 Fc1cc(F)ccc1[NH+]1c2nc(N3C[C@@H]4[C@H](C3)C4N)c(F)cc2C([O-])=C(C(O)=O)[CH-]1 0.25 1098 | O-56 O=C1C[C@@H](O)[C@@H](\C=C/[C@H](O)CCCCC)[C@@H]1C\C=C/CCCC(O)=O 0.41 1099 | O-560 OC[C@H](NC(=O)[C@@H]1C=C2[C@@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C 1.54 1100 | O-562 Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(O)=O)c1C 0.68 1101 | O-563 n1c2c(CCCC2)c(N)c2c1cccc2 0.34 1102 | O-566 S(=O)(=O)(N(CCC)CCC)c1ccc(cc1)C(O)=O -0.23 1103 | O-567 OC(=O)[C@H](C)c1cc(ccc1)C(=O)c1ccccc1 -0.11 1104 | O-569 Fc1ccc(cc1)-c1c2c(n(C(C)C)c1\C=C\[C@H](O)C[C@@H](O)CC(O)=O)cccc2 1.14 1105 | O-57 O=C1C[C@@H](O)[C@@H](\C=C/[C@H](O)CCCCC)[C@@H]1CCCCCCC(O)=O 0.78 1106 | O-576 O(C)c1cc(N[C@@H](CCCN)C)c2ncccc2c1 1.17 1107 | O-579 N(CCC=C1c2c(CCc3c1cccc3)cccc2)(C)C 2.8 1108 | O-583 OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC -3.62 1109 | O-584 O1[C@@H](CC)[C@](O)(C)[C@H](O)[C@@H](N(C[C@@H](C[C@](O)(C)[C@H](O[C@@H]2O[C@@H](C[C@@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](OC)(C2)C)[C@@H](C)C1=O)C)C)C 0.33 1110 | O-585 Fc1cc2c([NH+](C3CC3)[CH-]C(C(O)=O)=C2[O-])cc1N1CCNCC1 -1.12 1111 | O-586 S(=O)(=O)(Nc1ncccc1)c1ccc(\N=N\c2cc(C(O)=O)c(O)cc2)cc1 0.08 1112 | O-587 Oc1cc2CC[C@H]3[C@H]4CC[C@](O)(C#C)[C@@]4(CC[C@@H]3c2cc1)C 3.42 1113 | O-588 O(CCN(C)C)c1ccc(cc1)\C(=C(/CC)\c1ccccc1)\c1ccccc1 4.15 1114 | O-59 O1C(CCC1n1c2N=CNC(=O)c2nc1)CO -0.54 1115 | O-592 n1c(N)c(\N=N\c2ccccc2)ccc1N 3.31 1116 | O-593 OC(=O)C -2.88 1117 | O-62 O1C(C=CC1N1C=C(C)C(=O)NC1=O)CO -0.72 1118 | O-63 O1[C@](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(CO)[C@@H](O)[C@H](O)[C@H]1CO -3.34 1119 | O-64 O1C(CO)C([N-][N+]#N)CC1N1C=C(C)C(=O)NC1=O -0.58 1120 | O-65 O=C1Nc2c(nccc2C)N(c2ncccc12)C1CC1 1.81 1121 | O-67 O=C1CC[C@@]2([C@@H]3[C@H]([C@@H]4CC[C@H](C(=O)C)[C@]4(CC3)C)CCC2=C1)C 3.48 1122 | O-73 Clc1cc(NCc2occc2)c(cc1S(=O)(=O)N)C(O)=O -0.9 1123 | O-75 O(C)c1cc2c(cc(cc2)[C@@H](C(O)=O)C)cc1 0.3 1124 | O-8 OC(=O)CC1(CCCCC1)CN -2 1125 | O-84 OC(=O)C(C)c1cc(ccc1)C(=O)c1ccccc1 0.1 1126 | O-85 Fc1ccc(cc1)-c1c2c(n(C(C)C)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)cccc2 1.4 1127 | O-88 O(CC(O)CNC(C)C)c1ccccc1CC=C 1 1128 | O-9 O1CCC[C@H]1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1 1.14 1129 | O-94 O1c2c(C=CC1=O)cccc2 1.415 1130 | O-97 Clc1cccc(Cl)c1C=NN=C(N)N 1.67 1131 | O-98 OC1(CCC2C3C(C4(C(=CC(=O)CC4)CC3)C)C(O)CC12C)C(=O)CO 1.53 1132 | -------------------------------------------------------------------------------- /logo.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/nanxstats/logd74/9afe36732d90146e3ac8f1f6f7948c79a005d1d7/logo.png --------------------------------------------------------------------------------