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zincid
stringlengths 16
16
| smiles
stringlengths 9
103
| dockscore
float64 -75.5
443
| hac
float64 5
25
| id
stringlengths 12
12
| scaffold
stringlengths 5
102
⌀ | mwt
float64 249
375
| clogp
float64 -5.5
8.95
| tpsa
float64 0
233
|
|---|---|---|---|---|---|---|---|---|
ZINC000000017876 | Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1 | -26.59 | 18 | SCB-33511453 | O=S(=O)(Nc1cccnc1)c1ccccc1 | 266.052527 | 2.32992 | 59.06 |
ZINC000000018056 | COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 | -29.76 | 19 | SCB-67132867 | O=c1cc(-c2ccccc2)oc2ccccc12 | 252.078644 | 3.4686 | 39.44 |
ZINC000000018087 | CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 | -32.33 | 23 | SCB-12045129 | O=S(=O)(Cc1ccc2[nH]ccc2c1)N1CCCC1 | 335.166748 | 2.1976 | 56.41 |
ZINC000000018130 | CC[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1 | -24.65 | 19 | SCB-17615651 | O=C(Cc1ccccc1)ON1C(=O)CCC1=O | 261.100108 | 1.7874 | 63.68 |
ZINC000000018374 | Cc1nccc(N2CCN(S(N)(=O)=O)CC2)n1 | -23.83 | 17 | SCB-10382163 | c1cc(N2CCNCC2)ncn1 | 257.094646 | -0.88948 | 92.42 |
ZINC000000018409 | CN1CCN(c2cc(-c3cccnc3)nc3ccccc23)CC1 | -39.91 | 23 | SCB-40915202 | c1cncc(-c2cc(N3CCNCC3)c3ccccc3n2)c1 | 304.168797 | 3.0486 | 32.26 |
ZINC000000018410 | CN(C)CCNc1cc(-c2ccco2)nc2ccccc12 | -50.69 | 21 | SCB-39473365 | c1coc(-c2ccc3ccccc3n2)c1 | 281.152812 | 3.4683 | 41.3 |
ZINC000000018751 | O=C(Nc1ccccc1)Nc1ccc2ncccc2c1 | -38.83 | 20 | SCB-11154650 | O=C(Nc1ccccc1)Nc1ccc2ncccc2c1 | 263.105862 | 3.8788 | 54.02 |
ZINC000000018918 | O=c1[nH]c2ccccc2cc1CN1CCc2ccccc2C1 | -49.03 | 22 | SCB-44873907 | O=c1[nH]c2ccccc2cc1CN1CCc2ccccc2C1 | 290.141913 | 3.0864 | 36.1 |
ZINC000000019038 | O=C(O)[C@@H](Cc1ccccc1)NCc1ccccc1O | -34.83 | 20 | SCB-77702487 | c1ccc(CCNCc2ccccc2)cc1 | 271.120843 | 2.1777 | 69.56 |
ZINC000000019047 | COc1cc(-c2oc(-c3ccc(O)c(OC)c3)c(C)c2C)ccc1O | -32.02 | 25 | SCB-18540710 | c1ccc(-c2ccc(-c3ccccc3)o2)cc1 | 340.131074 | 4.65884 | 72.06 |
ZINC000000019246 | O=C(Nc1cccnc1)c1cc(=O)c2ccccc2o1 | -36.46 | 20 | SCB-36609875 | O=C(Nc1cccnc1)c1cc(=O)c2ccccc2o1 | 266.069142 | 2.4403 | 72.2 |
ZINC000000019365 | CCN(CC)C(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 | -13.2 | 23 | SCB-69244736 | c1ccc(Cc2ccccc2)cc1 | 329.14495 | 3.3931 | 37.38 |
ZINC000000019367 | C[C@H](C(N)=O)[S@@](=O)C(c1ccccc1)c1ccccc1 | -24.39 | 20 | SCB-98880385 | c1ccc(Cc2ccccc2)cc1 | 287.098 | 2.3985 | 60.16 |
ZINC000000019463 | CN(CCCn1ccnc1)CCOc1ccc(Cl)cc1 | -47.62 | 20 | SCB-92969037 | c1ccc(OCCNCCCn2ccnc2)cc1 | 293.12949 | 2.9374 | 30.29 |
ZINC000000019496 | CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1C | -28.33 | 21 | SCB-23243899 | O=c1c(-c2ccccc2)coc2ccccc12 | 280.109944 | 4.16712 | 39.44 |
ZINC000000019643 | c1ccc2sc(-c3ccc(N4CCOCC4)cc3)nc2c1 | -32.5 | 21 | SCB-33067178 | c1ccc2sc(-c3ccc(N4CCOCC4)cc3)nc2c1 | 296.098334 | 3.7999 | 25.36 |
ZINC000000019731 | O=C(NCCc1c(F)cccc1F)Nc1ccc(Cl)cn1 | -32.26 | 21 | SCB-11400881 | O=C(NCCc1ccccc1)Nc1ccccn1 | 311.063696 | 3.3774 | 54.02 |
ZINC000000019739 | CN(C)CC1CCN(CCOc2cccc(Cl)c2)CC1 | -45.58 | 20 | SCB-10981988 | c1ccc(OCCN2CCCCC2)cc1 | 296.165541 | 2.9924 | 15.71 |
ZINC000000019741 | CN(C)CC1CCN(CCOc2ccccc2)CC1 | -47.18 | 19 | SCB-12970369 | c1ccc(OCCN2CCCCC2)cc1 | 262.204513 | 2.339 | 15.71 |
ZINC000000019742 | CN(C)CC1CCN(CCOc2ccc(Cl)cc2)CC1 | -31.1 | 20 | SCB-48079803 | c1ccc(OCCN2CCCCC2)cc1 | 296.165541 | 2.9924 | 15.71 |
ZINC000000019743 | CN(C)CC1CCN(CCOc2ccc(F)cc2)CC1 | -42.64 | 20 | SCB-97259064 | c1ccc(OCCN2CCCCC2)cc1 | 280.195092 | 2.4781 | 15.71 |
ZINC000000019746 | CN(C)CCC1CCN(CCOc2ccccc2)CC1 | -36.96 | 20 | SCB-86985353 | c1ccc(OCCN2CCCCC2)cc1 | 276.220164 | 2.7291 | 15.71 |
ZINC000000019795 | CCCN1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 | -21.56 | 19 | SCB-55338944 | c1ccc([C@H]2CCCNC2)cc1 | 281.14495 | 2.6795 | 37.38 |
ZINC000000019890 | CCN(CC)c1ncnc2c(OC)cc(OC)cc12 | -29.99 | 19 | SCB-20941150 | c1ccc2ncncc2c1 | 261.147727 | 2.4932 | 47.48 |
ZINC000000019929 | C[C@H](Oc1ccc(Cl)cc1)c1ccnc2ncnn12 | -33.76 | 19 | SCB-53570638 | c1ccc(OCc2ccnc3ncnn23)cc1 | 274.062139 | 2.9177 | 52.31 |
ZINC000000019968 | O=c1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1 | -25.72 | 24 | SCB-11397492 | O=c1ccc2cc(O[C@@H]3CCCCO3)ccc2o1 | 340.079432 | -1.3227 | 149.82 |
ZINC000000020013 | C[C@@H](CN(C)C)Nc1ccnc2cc(Cl)ccc12 | -48.38 | 18 | SCB-15088004 | c1ccc2ncccc2c1 | 263.118925 | 3.2502 | 28.16 |
ZINC000000020220 | O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O | 7.25 | 24 | SCB-59856225 | O=c1ccn(C2CC2)c2cc(N3CCNCC3)ccc12 | 331.13322 | 1.5833 | 74.57 |
ZINC000000020223 | CN1[C@@H](C(=O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O | 4.11 | 22 | SCB-99989148 | O=C(Nc1ccccn1)[C@@H]1NS(=O)(=O)c2ccsc2C1=O | 337.019098 | 0.9672 | 96.44 |
ZINC000000020229 | CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC | -37.08 | 23 | SCB-99559578 | O=C(NC[C@H]1CCCN1)c1ccccc1 | 341.140927 | 0.5567 | 101.73 |
ZINC000000020235 | C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 | -5.9 | 19 | SCB-89558760 | c1ccc2c(c1)[nH]c1ccccc12 | 273.055656 | 4.1626 | 53.09 |
ZINC000000020240 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | -44.19 | 19 | SCB-30435684 | c1ccc2ccccc2c1 | 259.157229 | 2.5775 | 41.49 |
ZINC000000020243 | O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O | -6.21 | 18 | SCB-30098447 | c1ccc(-c2ccccc2)cc1 | 250.044151 | 3.0356 | 57.53 |
ZINC000000020244 | CN(C)CCOC(c1ccccc1)c1ccccc1 | -36.09 | 19 | SCB-44729345 | c1ccc(Cc2ccccc2)cc1 | 255.162314 | 3.3542 | 12.47 |
ZINC000000020245 | CN(C)CCCN1c2ccccc2CCc2ccccc21 | -19.44 | 21 | SCB-42319273 | c1ccc2c(c1)CCc1ccccc1N2 | 280.193949 | 3.875 | 6.48 |
ZINC000000020251 | Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 | -48.2 | 21 | SCB-39193192 | c1ccc(N(CC2=NCCN2)c2ccccc2)cc1 | 281.152812 | 2.84042 | 47.86 |
ZINC000000020253 | NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl | -24.46 | 22 | SCB-38151392 | O=C1NC(c2ccccc2)c2ccccc21 | 338.012806 | 0.9242 | 109.49 |
ZINC000000020260 | CN1CCCN=C1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 | -49.45 | 25 | SCB-22939802 | O=C(OCC1=NCCCN1)C(c1ccccc1)C1CCCCC1 | 344.209993 | 2.7317 | 62.13 |
ZINC000000020318 | CC1(C)C(C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C | -14.28 | 20 | SCB-31306935 | O=C(NCc1ccccc1)C1CC1 | 274.168128 | 2.0114 | 72.19 |
ZINC000000020524 | COc1ccc(C(=O)N2C[C@@H](c3ccccc3)CC2=O)cc1 | -30.56 | 22 | SCB-11306629 | O=C1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1 | 295.120843 | 2.8515 | 46.61 |
ZINC000000020526 | O=C(COc1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)CC1=O | -37.22 | 23 | SCB-70224719 | O=C(COc1ccccc1)N1C[C@@H](c2ccccc2)CC1=O | 329.081871 | 3.2615 | 46.61 |
ZINC000000020527 | O=C1C[C@H](c2ccccc2)CN1C(=O)c1ccc(Cl)cc1 | -29.9 | 21 | SCB-12177828 | O=C1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1 | 299.071306 | 3.4963 | 37.38 |
ZINC000000020528 | O=C1C[C@H](c2ccccc2)CN1C(=O)c1cccnc1 | -22.4 | 20 | SCB-42424088 | O=C1C[C@H](c2ccccc2)CN1C(=O)c1cccnc1 | 266.105528 | 2.2379 | 50.27 |
ZINC000000020542 | O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12 | -39.04 | 21 | SCB-36834014 | O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 278.141913 | 3.0693 | 44.89 |
ZINC000000020610 | CN(C)[C@H]1CCN(C(=O)c2nn(C)c3ccccc23)C1 | -26.36 | 20 | SCB-10384259 | O=C(c1n[nH]c2ccccc12)N1CCCC1 | 272.163711 | 1.3494 | 41.37 |
ZINC000000020732 | O=c1[nH]c2ccccc2n1CCCN1CCN(c2cnccn2)CC1 | -39.19 | 25 | SCB-15281840 | O=c1[nH]c2ccccc2n1CCCN1CCN(c2cnccn2)CC1 | 338.185509 | 1.3319 | 70.05 |
ZINC000000020781 | CC[C@](O)(c1cccc(OC)c1)[C@H](C)CN(C)C | -32.22 | 18 | SCB-27335038 | c1ccccc1 | 251.188529 | 2.4905 | 32.7 |
ZINC000000020837 | C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(=O)O | -12.59 | 20 | SCB-34274439 | c1ccc(-c2ccno2)cc1 | 294.040735 | 2.1979 | 92.43 |
ZINC000000020838 | O=C(Nc1nnn[nH]1)c1cc(-c2cccs2)on1 | -35.14 | 18 | SCB-39762909 | O=C(Nc1nnn[nH]1)c1cc(-c2cccs2)on1 | 262.027294 | 1.1685 | 109.59 |
ZINC000000020936 | COCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 | -36.26 | 21 | SCB-10218335 | c1ccc(-c2nc3ccccc3[nH]2)cc1 | 281.116427 | 2.8148 | 67.01 |
ZINC000000020938 | CC(=O)Nc1ccccc1-c1nc2ccccc2o1 | -28.49 | 19 | SCB-45273352 | c1ccc(-c2nc3ccccc3o2)cc1 | 252.089878 | 3.4532 | 55.13 |
ZINC000000020949 | COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1 | -34.42 | 20 | SCB-72025016 | O=C(NC1CCCCC1)c1ccccc1 | 278.126657 | 2.6659 | 81.47 |
ZINC000000021033 | CCOC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O | 2.32 | 24 | SCB-86892923 | O=c1ccc2cccnc2n1Cc1ccccc1 | 324.111007 | 2.3271 | 81.42 |
ZINC000000021104 | CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O | 9.91 | 18 | SCB-10211146 | O=c1[nH]sc2ccccc12 | 265.077264 | 2.7348 | 59.3 |
ZINC000000021120 | ONc1nc2ccc(OC(F)(F)F)cc2s1 | -28.46 | 16 | SCB-10198066 | c1ccc2scnc2c1 | 250.002383 | 2.996 | 54.38 |
ZINC000000021244 | CN(c1ncccc1C#N)C1CCN(Cc2ccccc2)CC1 | -24.28 | 23 | SCB-59073128 | c1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 | 306.184447 | 3.05408 | 43.16 |
ZINC000000021334 | COc1cccc(CC2CCN(C(=O)C3CC3)CC2)c1 | -25.07 | 20 | SCB-10530894 | O=C(C1CC1)N1CCC(Cc2ccccc2)CC1 | 273.172879 | 2.8863 | 29.54 |
ZINC000000021403 | Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1 | -25.14 | 23 | SCB-10402087 | c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1 | 326.129824 | 3.3099 | 23.78 |
ZINC000000021410 | NC(=O)C[C@H](NC(=O)c1ccccc1)C1CCCCC1 | -29.72 | 20 | SCB-81979701 | O=C(NCC1CCCCC1)c1ccccc1 | 274.168128 | 2.2407 | 72.19 |
ZINC000000021413 | COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1OC | -25.77 | 22 | SCB-21595569 | O=C1c2ccccc2C(=O)N1Cc1ccccc1 | 297.100108 | 2.5 | 55.84 |
ZINC000000021455 | NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CO)cc1 | -32.51 | 23 | SCB-25813882 | c1ccc(-c2conc2-c2ccccc2)cc1 | 330.067428 | 2.1483 | 106.42 |
ZINC000000021552 | c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1 | -43.07 | 22 | SCB-18885886 | c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1 | 287.117095 | 3.5349 | 55.11 |
ZINC000000021557 | NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 | -43.86 | 19 | SCB-54843622 | O=C(c1ccccc1)c1ccc[nH]1 | 277.061804 | 1.7963 | 87.98 |
ZINC000000021620 | COc1cc2c([C@@H](C)CNC(C)=O)c[nH]c2cc1Cl | -29.13 | 19 | SCB-49277331 | c1ccc2[nH]ccc2c1 | 280.097855 | 3.0695 | 54.12 |
ZINC000000021702 | COc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1OC | -35.78 | 23 | SCB-11284004 | O=S(=O)(N[C@H]1CCc2ccccc21)c1ccccc1 | 333.103479 | 2.6696 | 64.63 |
ZINC000000021703 | COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1OC | -15.42 | 24 | SCB-15917836 | O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccccc1 | 347.119129 | 3.0597 | 64.63 |
ZINC000000021704 | COc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1OC | -27.22 | 24 | SCB-10162504 | O=S(=O)(N[C@@H]1CCc2ccccc21)c1ccccc1 | 349.098394 | 1.6404 | 84.86 |
ZINC000000021730 | COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1OC | -34.57 | 23 | SCB-15932897 | O=S(=O)(c1ccccc1)N1CCc2ccccc2C1 | 333.103479 | 2.4508 | 55.84 |
ZINC000000021732 | COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OC | -26.45 | 22 | SCB-83936937 | O=S(=O)(c1ccccc1)N1CCc2ccccc21 | 319.087829 | 2.4552 | 55.84 |
ZINC000000021747 | COC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 | -36.97 | 21 | SCB-46223705 | c1ccc(CSc2nc3ccccc3[nH]2)cc1 | 298.077599 | 3.6418 | 54.98 |
ZINC000000021786 | CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 | -29.27 | 20 | SCB-52825606 | O=C1Nc2ccccc2/C1=C\c1ccccc1 | 264.126263 | 3.2453 | 32.34 |
ZINC000000021895 | COc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 | -34.41 | 20 | SCB-28147172 | c1ccc(-c2cn3c(n2)sc2ccccc23)cc1 | 280.067034 | 4.2246 | 26.53 |
ZINC000000021950 | O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)cc1F | -24.59 | 19 | SCB-21060136 | O=c1ccn([C@@H]2CCCCO2)c(=O)[nH]1 | 276.075764 | -2.3227 | 124.78 |
ZINC000000021951 | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)cc1F | -18.55 | 19 | SCB-10865999 | O=c1ccn([C@H]2CCCCO2)c(=O)[nH]1 | 276.075764 | -2.3227 | 124.78 |
ZINC000000022066 | COc1ccc(OC)c(/C=C/C(=O)Nc2nccs2)c1 | -33.74 | 20 | SCB-49015908 | O=C(/C=C/c1ccccc1)Nc1nccs1 | 290.072513 | 2.8122 | 60.45 |
ZINC000000022077 | O=C1NCCC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 | -36.95 | 24 | SCB-88754783 | O=C1NCCC[C@H]1NCc1ccc(OCc2ccccc2)cc1 | 328.158706 | 2.7729 | 50.36 |
ZINC000000022108 | CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1 | -38.04 | 25 | SCB-85181644 | c1ccc(Nc2nc(N3CCOCC3)nc(-n3ccnc3)n2)cc1 | 337.165108 | 1.6618 | 72.2 |
ZINC000000022178 | CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC | -27.84 | 25 | SCB-10491964 | O=C(/C=C/c1ccccc1)Nc1ccccc1 | 340.142307 | 2.8447 | 90.65 |
ZINC000000022202 | C[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O | -11.3 | 16 | SCB-32790330 | c1ccccc1 | 260.0007 | 3.2869 | 54.37 |
ZINC000000022315 | CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1 | -35.6 | 24 | SCB-52988409 | O=C(Oc1ccccc1)c1ccccc1 | 331.069202 | 2.5394 | 104.97 |
ZINC000000022325 | O=C1NC2(CCCCC2)C(=O)N1c1nccs1 | -20.72 | 17 | SCB-97151620 | O=C1NC2(CCCCC2)C(=O)N1c1nccs1 | 251.072848 | 1.9022 | 62.3 |
ZINC000000022326 | CC[C@]1(c2ccccc2)NC(=O)N(c2ccncc2)C1=O | -28.44 | 21 | SCB-69430960 | O=C1NC(c2ccccc2)C(=O)N1c1ccncc1 | 281.116427 | 2.4433 | 62.3 |
ZINC000000022418 | O=C(c1ccccn1)N1CCN(C(=O)c2ccccn2)CC1 | -31.08 | 22 | SCB-28887571 | O=C(c1ccccn1)N1CCN(C(=O)c2ccccn2)CC1 | 296.127326 | 1.0748 | 66.4 |
ZINC000000022507 | C[C@@H](O)CCN1CCC(Cc2ccc(F)cc2)CC1 | -42.27 | 19 | SCB-52660120 | c1ccc(CC2CCNCC2)cc1 | 265.184193 | 2.8511 | 23.47 |
ZINC000000022805 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | -34.86 | 19 | SCB-98621665 | c1ncc2ncn([C@H]3CCCO3)c2n1 | 269.092417 | -1.0028 | 119.31 |
ZINC000000023096 | O=C(C1c2ccccc2Oc2ccccc21)N1CCOCC1 | -22.86 | 22 | SCB-10238302 | O=C(C1c2ccccc2Oc2ccccc21)N1CCOCC1 | 295.120843 | 2.783 | 38.77 |
ZINC000000023100 | CN(CC#N)C(=O)C1c2ccccc2Oc2ccccc21 | -16.72 | 21 | SCB-53527728 | c1ccc2c(c1)Cc1ccccc1O2 | 278.105528 | 2.90618 | 53.33 |
ZINC000000023204 | CN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1 | -20.75 | 18 | SCB-91954917 | c1cnc(N2CCNCC2)nc1 | 271.110296 | -0.595 | 69.64 |
ZINC000000023472 | CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 | 8.87 | 21 | SCB-48006188 | O=S(=O)(Nc1ccncn1)c1ccccc1 | 308.105545 | 0.943 | 122.03 |
ZINC000000023541 | O=C(NCC1CCCCC1)Nc1cc(F)ccc1F | -34.38 | 19 | SCB-88561720 | O=C(NCC1CCCCC1)Nc1ccccc1 | 268.13872 | 3.6666 | 41.13 |
ZINC000000023542 | C[C@@H](NC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 | -38.95 | 20 | SCB-76891948 | O=C(NCC1CCCCC1)Nc1ccccc1 | 282.15437 | 4.0551 | 41.13 |
ZINC000000023690 | Brc1ccc(-c2cn3ccsc3n2)cc1 | -28.46 | 15 | SCB-94227159 | c1ccc(-c2cn3ccsc3n2)cc1 | 277.951331 | 3.8253 | 17.3 |
ZINC000000023691 | Fc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 | -32.41 | 19 | SCB-85478587 | c1ccc(-c2cn3c(n2)sc2ccccc23)cc1 | 268.047048 | 4.3551 | 17.3 |
ZINC000000023696 | Fc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 | -29.91 | 19 | SCB-47175786 | c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 | 272.078348 | 4.0807 | 17.3 |
ZINC000000023698 | Brc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 | -33.23 | 19 | SCB-15932784 | c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 | 331.998282 | 4.7041 | 17.3 |
ZINC000000023890 | Cc1ccc(OCc2nn3c(=O)c(C)nnc3s2)cc1 | -35.06 | 20 | SCB-11847619 | O=c1cnnc2sc(COc3ccccc3)nn12 | 288.068097 | 1.74184 | 69.38 |
ZINC000000023891 | Cc1nnc2sc(COc3ccc(Cl)cc3)nn2c1=O | -36.65 | 20 | SCB-10273709 | O=c1cnnc2sc(COc3ccccc3)nn12 | 308.013474 | 2.08682 | 69.38 |
ZINC000000023894 | O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1 | -30.27 | 22 | SCB-67403062 | O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1 | 293.080041 | 3.2377 | 88.03 |
ZINC000000023896 | CC(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 | -19.54 | 22 | SCB-83085019 | c1ccc2c(c1)CCc1ccccc1N2 | 296.116092 | 3.0637 | 72.63 |