ZINC ID
| Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure
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78931636 #1
 
| eMolecules: 48545963 AnalytiCon Discovery NP BB: FRG-00219 KeyOrganics: GS-0256 ref: mol2,
SDF,
SMILES,
flexibase -0.39,-4.12,-46.19,6,6,1, 233.288, 4 hi: mol2,
SDF,
SMILES,
flexibase -0.39,-4.55,-16.27,5,6,0, 232.28, 4
|  |
78931630 #2
 
| eMolecules: 48545961 AnalytiCon Discovery NP BB: FRG-00218 KeyOrganics: GS-0255 Individual Suppliers: ZINC78931630 ref: mol2,
SDF,
SMILES,
flexibase -0.97,-4.21,-47.97,5,7,1, 261.298, 3 hi: mol2,
SDF,
SMILES,
flexibase -0.97,-4.6,-16.74,4,7,0, 260.29, 3
|  |
78931617 #3
 
| eMolecules: 48545955 AnalytiCon Discovery NP BB: FRG-00213 KeyOrganics: GS-0252 ref: mol2,
SDF,
SMILES,
flexibase 1.44,6.7,-57.2,2,6,0, 301.346, 5
|  |
78931609 #4
 
| eMolecules: 48545943 AnalytiCon Discovery NP BB: FRG-00207 KeyOrganics: GS-0248 ref: mol2,
SDF,
SMILES,
flexibase -0.11,-0.7,-38.67,2,6,1, 215.229, 5 hi: mol2,
SDF,
SMILES,
flexibase -0.11,-3.37,-9.27,1,6,0, 214.221, 5
|  |
78931608 #5
 
| eMolecules: 48545941 AnalytiCon Discovery NP BB: FRG-00206 KeyOrganics: GS-0247 ref: mol2,
SDF,
SMILES,
flexibase 0.14,-1.2,-48.96,5,4,1, 224.28, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.14,-1.48,-6.05,4,4,0, 223.272, 2
|  |
78931597 #6
 
| eMolecules: 48545941 AnalytiCon Discovery NP BB: FRG-00206 KeyOrganics: GS-0247 ref: mol2,
SDF,
SMILES,
flexibase 0.14,-1.29,-40.43,5,4,1, 224.28, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.14,-1.35,-6.3,4,4,0, 223.272, 2
|  |
78931591 #7
 
| eMolecules: 48545939 AnalytiCon Discovery NP BB: FRG-00205 KeyOrganics: GS-0246 ref: mol2,
SDF,
SMILES,
flexibase -1.62,-2.33,-50.34,5,4,1, 195.242, 1 hi: mol2,
SDF,
SMILES,
flexibase -1.62,-2.62,-6.89,4,4,0, 194.234, 1 lo: mol2,
SDF,
SMILES,
flexibase -1.62,-1.86,-100.36,6,4,2, 196.25, 1
|  |
78931580 #8
 
| eMolecules: 48545939 AnalytiCon Discovery NP BB: FRG-00205 KeyOrganics: GS-0246 ref: mol2,
SDF,
SMILES,
flexibase -1.62,-2.36,-41.55,5,4,1, 195.242, 1 hi: mol2,
SDF,
SMILES,
flexibase -1.62,-2.54,-6.43,4,4,0, 194.234, 1 lo: mol2,
SDF,
SMILES,
flexibase -1.62,-1.9,-103.25,6,4,2, 196.25, 1
|  |
78931572 #9
 
| eMolecules: 48545937 AnalytiCon Discovery NP BB: FRG-00204 KeyOrganics: GS-0245 ref: mol2,
SDF,
SMILES,
flexibase -0.94,-4.3,-55.05,5,6,1, 273.334, 4 mid: mol2,
SDF,
SMILES,
flexibase -0.94,-4.6,-11.03,4,6,0, 272.326, 4
|  |
78931563 #10
 
| eMolecules: 48545935 AnalytiCon Discovery NP BB: FRG-00203 KeyOrganics: GS-0244 ref: mol2,
SDF,
SMILES,
flexibase -0.65,-2.14,-51.81,5,5,1, 255.269, 3 mid: mol2,
SDF,
SMILES,
flexibase -0.65,-2.45,-8.33,4,5,0, 254.261, 3
|  |
78931557 #11
 
| eMolecules: 48545933 AnalytiCon Discovery NP BB: FRG-00202 KeyOrganics: GS-0243 ref: mol2,
SDF,
SMILES,
flexibase -0.43,-3.69,-13.08,3,5,0, 243.284, 3
|  |
78931551 #12
 
| eMolecules: 48545931 AnalytiCon Discovery NP BB: FRG-00201 KeyOrganics: GS-0242 ref: mol2,
SDF,
SMILES,
flexibase -0.92,-3.24,-51.19,5,5,1, 243.308, 3 mid: mol2,
SDF,
SMILES,
flexibase -0.92,-3.55,-8.71,4,5,0, 242.3, 3
|  |
78931541 #13
 
| eMolecules: 48545929 AnalytiCon Discovery NP BB: FRG-00200 KeyOrganics: GS-0241 ref: mol2,
SDF,
SMILES,
flexibase -2.11,-3.97,-52.95,5,6,1, 238.267, 3 mid: mol2,
SDF,
SMILES,
flexibase -2.11,-4.27,-9.42,4,6,0, 237.259, 3
|  |
78931531 #14
 
| eMolecules: 48545927 AnalytiCon Discovery NP BB: FRG-00199 KeyOrganics: GS-0240 ref: mol2,
SDF,
SMILES,
flexibase -0.56,-2.64,-48.44,5,5,1, 231.316, 4 mid: mol2,
SDF,
SMILES,
flexibase -0.56,-2.94,-6.77,4,5,0, 230.308, 4
|  |
78931528 #15
 
| eMolecules: 48545925 AnalytiCon Discovery NP BB: FRG-00198 KeyOrganics: GS-0239 ref: mol2,
SDF,
SMILES,
flexibase -1.66,-3.74,-49.89,5,5,1, 201.246, 3 mid: mol2,
SDF,
SMILES,
flexibase -1.66,-4.05,-8.14,4,5,0, 200.238, 3
|  |
78931518 #16
 
| eMolecules: 48545923 AnalytiCon Discovery NP BB: FRG-00197 KeyOrganics: GS-0238 ref: mol2,
SDF,
SMILES,
flexibase -0.49,-3.63,-54.96,5,6,1, 287.361, 4 mid: mol2,
SDF,
SMILES,
flexibase -0.49,-3.92,-10.86,4,6,0, 286.353, 4
|  |
78931509 #17
 
| eMolecules: 48545921 AnalytiCon Discovery NP BB: FRG-00195 KeyOrganics: GS-0236 ref: mol2,
SDF,
SMILES,
flexibase -1.53,-5.01,-50.57,6,6,1, 218.277, 3 mid: mol2,
SDF,
SMILES,
flexibase -1.53,-5.31,-9.07,5,6,0, 217.269, 3
|  |
78931502 #18
 
| eMolecules: 44822249 AnalytiCon Discovery NP BB: FRG-00194 KeyOrganics: GS-0235 ref: mol2,
SDF,
SMILES,
flexibase -2.49,-5.32,-50.25,5,5,1, 175.208, 2 mid: mol2,
SDF,
SMILES,
flexibase -2.49,-5.64,-8.6,4,5,0, 174.2, 2
|  |
78931494 #19
 
| eMolecules: 48545919 AnalytiCon Discovery NP BB: FRG-00193 KeyOrganics: GS-0234 ref: mol2,
SDF,
SMILES,
flexibase -2.05,-5.6,-16.08,3,6,0, 205.21, 4
|  |
78931486 #20
 
| eMolecules: 48545917 AnalytiCon Discovery NP BB: FRG-00192 KeyOrganics: GS-0233 ref: mol2,
SDF,
SMILES,
flexibase -1.62,-4.42,-14.34,3,6,0, 238.243, 3
|  |
78931474 #21
 
| eMolecules: 48545915 AnalytiCon Discovery NP BB: FRG-00191 KeyOrganics: GS-0232 Individual Suppliers: ZINC78931474 ref: mol2,
SDF,
SMILES,
flexibase -0.19,-2.6,-12.22,3,5,0, 255.245, 3
|  |
78931466 #22
 
| eMolecules: 48545913 AnalytiCon Discovery NP BB: FRG-00190 KeyOrganics: GS-0231 ref: mol2,
SDF,
SMILES,
flexibase -0.29,-4.83,-12.97,3,6,0, 291.3, 4
|  |
78931453 #23
 
| eMolecules: 48545911 AnalytiCon Discovery NP BB: FRG-00189 KeyOrganics: GS-0230 ref: mol2,
SDF,
SMILES,
flexibase 0.00,-4.22,-13.25,3,6,0, 287.337, 4
|  |
78931445 #24
 
| eMolecules: 48545909 AnalytiCon Discovery NP BB: FRG-00188 KeyOrganics: GS-0229 ref: mol2,
SDF,
SMILES,
flexibase -0.11,5.82,-64.7,1,5,-1, 295.746, 4 mid: mol2,
SDF,
SMILES,
flexibase -0.11,7.14,-47.55,2,5,0, 296.754, 4
|  |
78931428 #25
 
| eMolecules: 48545905 AnalytiCon Discovery NP BB: FRG-00186 KeyOrganics: GS-0227 ref: mol2,
SDF,
SMILES,
flexibase 1.00,-1.49,-11.09,2,7,0, 270.285, 6
|  |
78931423 #26
 
| eMolecules: 48545903 AnalytiCon Discovery NP BB: FRG-00185 KeyOrganics: GS-0226 ref: mol2,
SDF,
SMILES,
flexibase 0.68,-0.43,-12.23,2,7,0, 290.275, 6
|  |
78931414 #27
 
| eMolecules: 48545901 AnalytiCon Discovery NP BB: FRG-00184 KeyOrganics: GS-0225 ref: mol2,
SDF,
SMILES,
flexibase 0.02,-2.08,-45.72,3,7,1, 271.293, 6 hi: mol2,
SDF,
SMILES,
flexibase 0.02,-3.09,-9.03,2,7,0, 270.285, 6
|  |
78931403 #28
 
| eMolecules: 48545899 AnalytiCon Discovery NP BB: FRG-00183 KeyOrganics: GS-0224 ref: mol2,
SDF,
SMILES,
flexibase 1.04,0.99,-47.99,3,6,1, 277.3, 7 mid: mol2,
SDF,
SMILES,
flexibase 1.04,-0.33,-9.72,2,6,0, 276.292, 7
|  |
78931397 #29
 
| eMolecules: 48545897 AnalytiCon Discovery NP BB: FRG-00182 KeyOrganics: GS-0223 PubChem: 65547919 Enamine BB Make on Demand: BBV-40610239...6 total
ref: mol2,
SDF,
SMILES,
flexibase 0.22,1.19,-9.07,2,5,0, 230.271, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.22,1.39,-34.26,3,5,1, 231.279, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.22,1.18,-7.93,2,5,0, 230.271, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.22,2.28,-41.97,3,5,1, 231.279, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.22,2.28,-40.66,3,5,1, 231.279, 2
|  |
78931392 #30
 
| eMolecules: 48545895 AnalytiCon Discovery NP BB: FRG-00181 KeyOrganics: GS-0222 ref: mol2,
SDF,
SMILES,
flexibase -2.57,-5.86,-108.74,7,5,2, 178.232, 3 mid: mol2,
SDF,
SMILES,
flexibase -2.57,-6.25,-39.06,6,5,1, 177.224, 3 mid: mol2,
SDF,
SMILES,
flexibase -2.57,-7.28,-44.02,6,5,1, 177.224, 3 hi: mol2,
SDF,
SMILES,
flexibase -2.57,-7.68,-7.22,5,5,0, 176.216, 3
|  |
78931388 #31
 
| eMolecules: 48545893 AnalytiCon Discovery NP BB: FRG-00180 ref: mol2,
SDF,
SMILES,
flexibase 3.70,6.56,-10.38,1,4,0, 285.324, 3 hi: mol2,
SDF,
SMILES,
flexibase 3.70,7.56,-47.56,0,4,-1, 284.316, 3
|  |
78931378 #32
 
| eMolecules: 48545889 AnalytiCon Discovery NP BB: FRG-00176 KeyOrganics: GS-0221 ref: mol2,
SDF,
SMILES,
flexibase -0.58,7.55,-54.19,2,5,0, 276.336, 5 hi: mol2,
SDF,
SMILES,
flexibase -0.58,6.15,-66.91,1,5,-1, 275.328, 5
|  |
78931370 #33
 
| eMolecules: 48545887 AnalytiCon Discovery NP BB: FRG-00175 KeyOrganics: GS-0220 ref: mol2,
SDF,
SMILES,
flexibase -0.10,6.78,-48.77,2,5,0, 268.357, 4 hi: mol2,
SDF,
SMILES,
flexibase -0.10,5.4,-65.35,1,5,-1, 267.349, 4
|  |
78931367 #34
 
| eMolecules: 48545885 AnalytiCon Discovery NP BB: FRG-00174 KeyOrganics: GS-0219 ref: mol2,
SDF,
SMILES,
flexibase -0.67,5.48,-63.72,1,5,-1, 279.291, 4 lo: mol2,
SDF,
SMILES,
flexibase -0.67,6.69,-41.18,2,5,0, 280.299, 4
|  |
78931359 #35
 
| eMolecules: 48545875 AnalytiCon Discovery NP BB: FRG-00167 KeyOrganics: GS-0217 ref: mol2,
SDF,
SMILES,
flexibase 0.53,0.18,-45.88,5,3,1, 208.281, 1 hi: mol2,
SDF,
SMILES,
flexibase 0.53,-0.11,-4.62,4,3,0, 207.273, 1
|  |
78931351 #36
 
| eMolecules: 48545875 AnalytiCon Discovery NP BB: FRG-00167 KeyOrganics: GS-0217 ref: mol2,
SDF,
SMILES,
flexibase 0.53,0.09,-37.61,5,3,1, 208.281, 1 hi: mol2,
SDF,
SMILES,
flexibase 0.53,0.03,-4.93,4,3,0, 207.273, 1
|  |
78931344 #37
 
| eMolecules: 48545873 AnalytiCon Discovery NP BB: FRG-00166 KeyOrganics: GS-0216 ref: mol2,
SDF,
SMILES,
flexibase 0.68,-0.1,-48.16,5,3,1, 200.302, 1 hi: mol2,
SDF,
SMILES,
flexibase 0.68,-0.39,-4.15,4,3,0, 199.294, 1
|  |
78931338 #38
 
| eMolecules: 48545873 AnalytiCon Discovery NP BB: FRG-00166 KeyOrganics: GS-0216 ref: mol2,
SDF,
SMILES,
flexibase 0.68,-0.15,-42.81,5,3,1, 200.302, 1 hi: mol2,
SDF,
SMILES,
flexibase 0.68,-0.11,-4.27,4,3,0, 199.294, 1
|  |
78931332 #39
 
| eMolecules: 48545871 AnalytiCon Discovery NP BB: FRG-00165 KeyOrganics: GS-0215 ref: mol2,
SDF,
SMILES,
flexibase -1.20,-2.25,-50.42,5,4,1, 195.242, 1 hi: mol2,
SDF,
SMILES,
flexibase -1.20,-2.54,-6.08,4,4,0, 194.234, 1 lo: mol2,
SDF,
SMILES,
flexibase -1.20,-1.79,-100.51,6,4,2, 196.25, 1
|  |
78931326 #40
 
| eMolecules: 48545871 AnalytiCon Discovery NP BB: FRG-00165 KeyOrganics: GS-0215 ref: mol2,
SDF,
SMILES,
flexibase -1.20,-2.35,-41.57,5,4,1, 195.242, 1 hi: mol2,
SDF,
SMILES,
flexibase -1.20,-2.4,-6.49,4,4,0, 194.234, 1 lo: mol2,
SDF,
SMILES,
flexibase -1.20,-1.89,-103.58,6,4,2, 196.25, 1
|  |
78931317 #41
 
| eMolecules: 48545869 AnalytiCon Discovery NP BB: FRG-00164 KeyOrganics: GS-0214 ref: mol2,
SDF,
SMILES,
flexibase 0.51,0.17,-45.93,5,3,1, 208.281, 1 hi: mol2,
SDF,
SMILES,
flexibase 0.51,-0.11,-4.55,4,3,0, 207.273, 1
|  |
78931312 #42
 
| eMolecules: 48545869 AnalytiCon Discovery NP BB: FRG-00164 KeyOrganics: GS-0214 ref: mol2,
SDF,
SMILES,
flexibase 0.51,0.09,-37.59,5,3,1, 208.281, 1 hi: mol2,
SDF,
SMILES,
flexibase 0.51,0.02,-4.98,4,3,0, 207.273, 1
|  |
78931302 #43
 
| eMolecules: 48545867 AnalytiCon Discovery NP BB: FRG-00163 KeyOrganics: GS-0213 ref: mol2,
SDF,
SMILES,
flexibase -1.33,-0.81,-102.1,6,6,2, 281.356, 2 mid: mol2,
SDF,
SMILES,
flexibase -1.33,-1.09,-31.24,5,6,1, 280.348, 2 hi: mol2,
SDF,
SMILES,
flexibase -1.33,-1.41,-8.15,4,6,0, 279.34, 2 hi: mol2,
SDF,
SMILES,
flexibase -1.33,-1.13,-51.37,5,6,1, 280.348, 2
|  |
78931296 #44
 
| eMolecules: 48545867 AnalytiCon Discovery NP BB: FRG-00163 KeyOrganics: GS-0213 ref: mol2,
SDF,
SMILES,
flexibase -1.33,-0.83,-104.79,6,6,2, 281.356, 2 mid: mol2,
SDF,
SMILES,
flexibase -1.33,-1,-32.37,5,6,1, 280.348, 2 hi: mol2,
SDF,
SMILES,
flexibase -1.33,-1.33,-7.75,4,6,0, 279.34, 2 hi: mol2,
SDF,
SMILES,
flexibase -1.33,-1.16,-43.07,5,6,1, 280.348, 2
|  |
43217097 #45
 
| eMolecules: 2814628 AnalytiCon Discovery NP BB: FRG-00223 KeyOrganics: GS-0257 ChemDB: 3976188 Individual Suppliers: ZINC43217097...6 total
ref: mol2,
SDF,
SMILES,
flexibase -1.85,-3.31,-46.96,5,6,1, 262.289, 5 hi: mol2,
SDF,
SMILES,
flexibase -1.85,-3.7,-8.18,4,6,0, 261.281, 5
|  |
15675310 #46
 
| eMolecules: 48545959 AnalytiCon Discovery NP BB: FRG-00217 KeyOrganics: GS-0254 PubChem: 26744688 ref: mol2,
SDF,
SMILES,
flexibase -0.69,-4.07,-46.25,6,6,1, 231.272, 4
|  |
15675315 #47
 
| eMolecules: 48545957 AnalytiCon Discovery NP BB: FRG-00216 KeyOrganics: GS-0253 AnalytiCon Discovery ND: NAT19-354044 PubChem: 26744692...5 total
ref: mol2,
SDF,
SMILES,
flexibase -0.90,-4.44,-46.53,6,6,1, 229.256, 4
|  |
67897037 #48
 
| AnalytiCon Discovery NP BB: FRG-00211 PubChem: 56774960 ref: mol2,
SDF,
SMILES,
flexibase 0.00,2.43,-42.92,2,4,1, 197.258, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.00,0.08,-7.53,1,4,0, 196.25, 2
|  |
8300033 #49
 
| eMolecules: 48545945 AnalytiCon Discovery NP BB: FRG-00208 KeyOrganics: GS-0249 PubChem: 11943090 ref: mol2,
SDF,
SMILES,
flexibase 3.32,-2.61,-42,3,4,1, 292.447, 4
Similar to: 43526295,
|  |
77264095 #50
 
| eMolecules: 43637834 AnalytiCon Discovery NP BB: FRG-00196 KeyOrganics: GS-0237 AnalytiCon Discovery ND: NAT19-551252 Ambinter: Amb19885569...5 total
ref: mol2,
SDF,
SMILES,
flexibase -2.55,-5.15,-53.04,5,6,1, 205.234, 4 mid: mol2,
SDF,
SMILES,
flexibase -2.55,-5.45,-11.12,4,6,0, 204.226, 4
|  |
77262800 #51
 
| eMolecules: 43637258 AnalytiCon Discovery NP BB: FRG-00168 KeyOrganics: GS-0218 AnalytiCon Discovery ND: NAT12-540482 Ambinter: Amb19885276...5 total
ref: mol2,
SDF,
SMILES,
flexibase 1.28,2.77,-42.27,4,5,1, 289.355, 4 hi: mol2,
SDF,
SMILES,
flexibase 1.28,2.39,-11.83,3,5,0, 288.347, 4
|  |
12603962 #52
 
| eMolecules: 48545849 AnalytiCon Discovery NP BB: FRG-00154 KeyOrganics: GS-0208 AnalytiCon Discovery ND: NAT19-353882 PubChem: 25390474...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.64,-2.41,-49.97,6,6,1, 267.305, 4
|  |
15675211 #53
 
| eMolecules: 48545847 AnalytiCon Discovery NP BB: FRG-00153 KeyOrganics: GS-0207 AnalytiCon Discovery ND: NAT19-353693 PubChem: 26744658...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.50,-1.86,-47.81,6,6,1, 299.322, 5
|  |
8624295 #54
 
| eMolecules: 48545845 AnalytiCon Discovery NP BB: FRG-00152 KeyOrganics: GS-0206 AnalytiCon Discovery ND: NAT19-353666 PubChem: 40777844...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.20,-7.76,-46.59,5,6,1, 293.343, 3
|  |
67897032 #55
 
| eMolecules: 48545949 AnalytiCon Discovery NP BB: FRG-00210 KeyOrganics: GS-0250 PubChem: 56774957 ref: mol2,
SDF,
SMILES,
flexibase -0.25,0.34,-15.04,2,6,0, 289.335, 3 mid: mol2,
SDF,
SMILES,
flexibase -0.25,2.67,-51.44,3,6,1, 290.343, 3
|  |
12603419 #56
 
| eMolecules: 48545695 AnalytiCon Discovery NP BB: FRG-00051 KeyOrganics: GS-0138 PubChem: 25390101 ref: mol2,
SDF,
SMILES,
flexibase 0.19,4.21,-10.68,1,4,0, 231.299, 3
|  |
12603417 #57
 
| eMolecules: 48545653 AnalytiCon Discovery NP BB: FRG-00019 KeyOrganics: GS-0117 Individual Suppliers: ZINC12603417 PubChem: 25390100...5 total
ref: mol2,
SDF,
SMILES,
flexibase 2.01,6.19,-9.38,1,3,0, 254.333, 2
|  |
8624065 #58
 
| eMolecules: 48545651 AnalytiCon Discovery NP BB: FRG-00018 KeyOrganics: GS-0116 PubChem: 40777688 ref: mol2,
SDF,
SMILES,
flexibase 2.07,-0.44,-9.84,1,4,0, 284.359, 3
|  |
49587768 #59
 
| eMolecules: 48545693 AnalytiCon Discovery NP BB: FRG-00050 KeyOrganics: GS-0137 PubChem: 51136245, 52324559 ref: mol2,
SDF,
SMILES,
flexibase 0.81,7.56,-63.3,2,6,0, 291.351, 7
|  |
49587767 #60
 
| eMolecules: 48545689 AnalytiCon Discovery NP BB: FRG-00048 KeyOrganics: GS-0135 Individual Suppliers: ZINC49587767 PubChem: 52324558...6 total
ref: mol2,
SDF,
SMILES,
flexibase 0.24,2.14,-57.63,3,6,0, 254.286, 5
|  |
49587765 #61
 
| eMolecules: 48545687 AnalytiCon Discovery NP BB: FRG-00047 KeyOrganics: GS-0134 PubChem: 51136243, 52324557 ref: mol2,
SDF,
SMILES,
flexibase 1.25,7.06,-54.36,2,5,0, 264.325, 5
|  |
49587762 #62
 
| eMolecules: 48545683 AnalytiCon Discovery NP BB: FRG-00035 KeyOrganics: GS-0132 PubChem: 12960769, 52324556 SureChEMBL: SCHEMBL926860...6 total
ref: mol2,
SDF,
SMILES,
flexibase -1.80,-3.96,-47.5,4,4,1, 146.166, 0 hi: mol2,
SDF,
SMILES,
flexibase -1.80,-4.24,-5.79,3,4,0, 145.158, 0
Similar to: 39349319,
|  |
49587760 #63
 
| eMolecules: 48545681 AnalytiCon Discovery NP BB: FRG-00034 KeyOrganics: GS-0131 PubChem: 51136236, 52324555 ref: mol2,
SDF,
SMILES,
flexibase 0.44,1.65,-50.68,3,5,1, 266.317, 4 hi: mol2,
SDF,
SMILES,
flexibase 0.44,1.36,-8.03,2,5,0, 265.309, 4
|  |
49587759 #64
 
| eMolecules: 48545679 AnalytiCon Discovery NP BB: FRG-00033 KeyOrganics: GS-0130 Individual Suppliers: ZINC49587759 PubChem: 52324554...6 total
ref: mol2,
SDF,
SMILES,
flexibase 0.55,2.41,-50.55,3,4,1, 254.281, 3 hi: mol2,
SDF,
SMILES,
flexibase 0.55,2.13,-7.15,2,4,0, 253.273, 3
|  |
49587757 #65
 
| eMolecules: 48545677 AnalytiCon Discovery NP BB: FRG-00032 KeyOrganics: GS-0129 PubChem: 51136234, 52324553 ref: mol2,
SDF,
SMILES,
flexibase 0.30,0.55,-52.41,4,6,1, 283.279, 3 hi: mol2,
SDF,
SMILES,
flexibase 0.30,0.26,-6.6,3,6,0, 282.271, 3
|  |
49587756 #66
 
| eMolecules: 48545675 AnalytiCon Discovery NP BB: FRG-00031 KeyOrganics: GS-0128 PubChem: 51136233, 52324552 ref: mol2,
SDF,
SMILES,
flexibase 0.19,-0.22,-55.25,4,7,1, 295.315, 4 hi: mol2,
SDF,
SMILES,
flexibase 0.19,-0.51,-10.41,3,7,0, 294.307, 4
|  |
49587754 #67
 
| eMolecules: 48545671 AnalytiCon Discovery NP BB: FRG-00029 KeyOrganics: GS-0126 PubChem: 51136232, 52324551 ref: mol2,
SDF,
SMILES,
flexibase 0.94,-1.47,-51.79,4,6,1, 231.272, 3 hi: mol2,
SDF,
SMILES,
flexibase 0.94,-1.76,-6.98,3,6,0, 230.264, 3
|  |
4236085 #68
 
| eMolecules: 48545667 AnalytiCon Discovery NP BB: FRG-00027 KeyOrganics: GS-0124 PubChem: 51136231, 51401476 ref: mol2,
SDF,
SMILES,
flexibase -1.19,-1.67,-47.45,3,4,1, 160.193, 1 hi: mol2,
SDF,
SMILES,
flexibase -1.19,-1.95,-4.89,2,4,0, 159.185, 1
|  |
49587750 #69
 
| eMolecules: 48545665 AnalytiCon Discovery NP BB: FRG-00026 KeyOrganics: GS-0123 Individual Suppliers: ZINC49587750 PubChem: 51136230...5 total
ref: mol2,
SDF,
SMILES,
flexibase 1.66,4.09,-9.03,1,3,0, 260.259, 3
|  |
49587748 #70
 
| eMolecules: 48545663 AnalytiCon Discovery NP BB: FRG-00025 KeyOrganics: GS-0122 PubChem: 51136229 ref: mol2,
SDF,
SMILES,
flexibase 1.92,4.62,-7.87,1,3,0, 234.343, 2 lo: mol2,
SDF,
SMILES,
flexibase 1.92,4.72,-24.26,2,3,1, 235.351, 2
|  |
49587745 #71
 
| eMolecules: 48545661 AnalytiCon Discovery NP BB: FRG-00024 KeyOrganics: GS-0121 PubChem: 51136228 ref: mol2,
SDF,
SMILES,
flexibase 0.67,1.63,-6.98,2,3,0, 178.235, 1
|  |
49587743 #72
 
| eMolecules: 48545659 AnalytiCon Discovery NP BB: FRG-00023 KeyOrganics: GS-0120 PubChem: 51136227 ref: mol2,
SDF,
SMILES,
flexibase 0.73,2.82,-8.24,1,3,0, 192.262, 1 lo: mol2,
SDF,
SMILES,
flexibase 0.73,2.95,-26.98,2,3,1, 193.27, 1
|  |
49587741 #73
 
| eMolecules: 48545657 AnalytiCon Discovery NP BB: FRG-00022 KeyOrganics: GS-0119 PubChem: 51136226 ref: mol2,
SDF,
SMILES,
flexibase 0.10,0.33,-8.48,2,4,0, 222.288, 3
|  |
49587739 #74
 
| eMolecules: 48545655 AnalytiCon Discovery NP BB: FRG-00020 KeyOrganics: GS-0118 PubChem: 51136225 ref: mol2,
SDF,
SMILES,
flexibase 1.53,5.96,-10.03,1,4,0, 255.321, 2
|  |
49587737 #75
 
| eMolecules: 48545647 AnalytiCon Discovery NP BB: FRG-00016 KeyOrganics: GS-0114 PubChem: 51136224, 52324550 Enamine BB Make on Demand: BBV-42142631...6 total
ref: mol2,
SDF,
SMILES,
flexibase 0.03,1.91,-39.88,3,6,1, 232.267, 2 ref: mol2,
SDF,
SMILES,
flexibase 0.03,1.91,-39.92,3,6,1, 232.267, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.03,1.45,-11.81,2,6,0, 231.259, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.03,1.44,-9.95,2,6,0, 231.259, 2 lo: mol2,
SDF,
SMILES,
flexibase 0.03,2.74,-49.14,3,6,1, 232.267, 2 lo: mol2,
SDF,
SMILES,
flexibase 0.03,2.75,-43.62,3,6,1, 232.267, 2
|  |
15675999 #76
 
| eMolecules: 48545643 AnalytiCon Discovery NP BB: FRG-00014 KeyOrganics: GS-0112 PubChem: 26745142 Enamine BB Make on Demand: BBV-42142626...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.72,1.45,-39.57,3,6,1, 234.283, 2 ref: mol2,
SDF,
SMILES,
flexibase 0.72,1.45,-39.47,3,6,1, 234.283, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.72,2.42,-44.58,3,6,1, 234.283, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.72,2.87,-110.79,4,6,2, 235.291, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.72,0.99,-11.3,2,6,0, 233.275, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.72,0.98,-9.61,2,6,0, 233.275, 2 lo: mol2,
SDF,
SMILES,
flexibase 0.72,2.28,-48.84,3,6,1, 234.283, 2
|  |
49587734 #77
 
| eMolecules: 48545637 AnalytiCon Discovery NP BB: FRG-00011 KeyOrganics: GS-0109 AnalytiCon Discovery ND: NAT22-346651 Enamine BB Make on Demand: BBV-42535214...5 total
ref: mol2,
SDF,
SMILES,
flexibase 1.86,3.5,-40.64,3,6,1, 286.29, 2 ref: mol2,
SDF,
SMILES,
flexibase 1.86,3.5,-40.71,3,6,1, 286.29, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.86,3.03,-11.24,2,6,0, 285.282, 2 hi: mol2,
SDF,
SMILES,
flexibase 1.86,3.03,-9.7,2,6,0, 285.282, 2 lo: mol2,
SDF,
SMILES,
flexibase 1.86,4.34,-46.29,3,6,1, 286.29, 2 lo: mol2,
SDF,
SMILES,
flexibase 1.86,4.33,-51.6,3,6,1, 286.29, 2
|  |
49587732 #78
 
| eMolecules: 48545627 AnalytiCon Discovery NP BB: FRG-00006 KeyOrganics: GS-0104 Fluorochem (Depleted): 096030 PubChem: 51136222...6 total
ref: mol2,
SDF,
SMILES,
flexibase -0.75,-2.53,-42.8,3,5,1, 170.192, 1 hi: mol2,
SDF,
SMILES,
flexibase -0.75,-3.87,-7.86,2,5,0, 169.184, 1
|  |
49587729 #79
 
| eMolecules: 48545623 AnalytiCon Discovery NP BB: FRG-00004 KeyOrganics: GS-0102 PubChem: 51136221, 52324547 ref: mol2,
SDF,
SMILES,
flexibase 1.95,1.06,-44.42,3,5,1, 266.708, 2 hi: mol2,
SDF,
SMILES,
flexibase 1.95,-0.28,-7.12,2,5,0, 265.7, 2
Similar to: 21812774,
|  |
49587728 #80
 
| eMolecules: 48545621 AnalytiCon Discovery NP BB: FRG-00003 KeyOrganics: GS-0101 Individual Suppliers: P74060552 PubChem: 52324546...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.72,1.21,-43.84,3,5,1, 246.29, 2 hi: mol2,
SDF,
SMILES,
flexibase 1.72,-0.13,-8.71,2,5,0, 245.282, 2
Similar to: 15674134,
|  |
49587725 #81
 
| eMolecules: 48545619 AnalytiCon Discovery NP BB: FRG-00001 KeyOrganics: GS-0100 Individual Suppliers: ZINC49587725 PubChem: 52324545...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.44,0.61,-44.79,3,5,1, 250.253, 2 hi: mol2,
SDF,
SMILES,
flexibase 1.44,-0.74,-7.35,2,5,0, 249.245, 2
Similar to: 36888222, 36888223, 36888225, 36888282, 36888283, ... 6 in total.
|  |
15673446 #82
 
| eMolecules: 48545691 AnalytiCon Discovery NP BB: FRG-00049 KeyOrganics: GS-0136 PubChem: 26743057 ref: mol2,
SDF,
SMILES,
flexibase 0.86,4.02,-59.45,2,6,0, 268.313, 6
|  |
15673464 #83
 
| eMolecules: 48545685 AnalytiCon Discovery NP BB: FRG-00046 KeyOrganics: GS-0133 PubChem: 26743073 ref: mol2,
SDF,
SMILES,
flexibase 2.58,8.14,-58.64,2,5,0, 300.358, 5
|  |
4236086 #84
 
| eMolecules: 48545673 AnalytiCon Discovery NP BB: FRG-00030 KeyOrganics: GS-0127 Individual Suppliers: ZINC04236086 PubChem: 11884320...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.16,-5.63,-53.11,4,6,1, 265.289, 3
|  |
15709156 #85
 
| eMolecules: 48545669 AnalytiCon Discovery NP BB: FRG-00028 KeyOrganics: GS-0125 PubChem: 45361682, 51549276 ref: mol2,
SDF,
SMILES,
flexibase 0.41,2.56,-50.5,3,4,1, 236.291, 3
Similar to: 34560209, 34560210,
|  |
15675782 #86
 
| eMolecules: 48545649 AnalytiCon Discovery NP BB: FRG-00017 KeyOrganics: GS-0115 PubChem: 26745017, 51548712 Enamine BB Make on Demand: BBV-42535180...6 total
ref: mol2,
SDF,
SMILES,
flexibase 2.14,4.11,-41.06,3,6,1, 282.327, 2 ref: mol2,
SDF,
SMILES,
flexibase 2.14,4.11,-40.72,3,6,1, 282.327, 2 mid: mol2,
SDF,
SMILES,
flexibase 2.14,5.08,-46.5,3,6,1, 282.327, 2 mid: mol2,
SDF,
SMILES,
flexibase 2.14,5.53,-113.76,4,6,2, 283.335, 2 mid: mol2,
SDF,
SMILES,
flexibase 2.14,3.64,-11.52,2,6,0, 281.319, 2 mid: mol2,
SDF,
SMILES,
flexibase 2.14,3.64,-12.49,2,6,0, 281.319, 2 lo: mol2,
SDF,
SMILES,
flexibase 2.14,4.94,-50.24,3,6,1, 282.327, 2
Similar to: 15675526,
|  |
15675952 #87
 
| eMolecules: 48545645 AnalytiCon Discovery NP BB: FRG-00015 KeyOrganics: GS-0113 PubChem: 45360612, 51548772 ref: mol2,
SDF,
SMILES,
flexibase 1.64,4,-40.6,3,6,1, 282.327, 3 ref: mol2,
SDF,
SMILES,
flexibase 1.64,4,-40.61,3,6,1, 282.327, 3 mid: mol2,
SDF,
SMILES,
flexibase 1.65,4.98,-45.52,3,6,1, 282.327, 3 mid: mol2,
SDF,
SMILES,
flexibase 1.65,5.43,-112.03,4,6,2, 283.335, 3 mid: mol2,
SDF,
SMILES,
flexibase 1.65,3.53,-11.22,2,6,0, 281.319, 3 mid: mol2,
SDF,
SMILES,
flexibase 1.64,3.54,-11.86,2,6,0, 281.319, 3 lo: mol2,
SDF,
SMILES,
flexibase 1.64,4.83,-49.59,3,6,1, 282.327, 3
Similar to: 15675680,
|  |
15675526 #88
 
| eMolecules: 48545641 AnalytiCon Discovery NP BB: FRG-00013 KeyOrganics: GS-0111 Individual Suppliers: ZINC15675526 PubChem: 26744769...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.70,3.45,-41.25,3,6,1, 268.3, 2 ref: mol2,
SDF,
SMILES,
flexibase 1.70,3.43,-40.89,3,6,1, 268.3, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.70,4.4,-46.66,3,6,1, 268.3, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.70,4.85,-113.84,4,6,2, 269.308, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.70,2.97,-11.76,2,6,0, 267.292, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.70,2.97,-12.68,2,6,0, 267.292, 2 lo: mol2,
SDF,
SMILES,
flexibase 1.70,4.26,-50.32,3,6,1, 268.3, 2
Similar to: 15675782,
|  |
15675891 #89
 
| eMolecules: 48545639 AnalytiCon Discovery NP BB: FRG-00012 KeyOrganics: GS-0110 PubChem: 26745079, 51548750 Enamine BB Make on Demand: BBV-42535186...6 total
ref: mol2,
SDF,
SMILES,
flexibase 0.41,1.65,-42.43,3,7,1, 269.288, 2 ref: mol2,
SDF,
SMILES,
flexibase 0.41,1.65,-41.99,3,7,1, 269.288, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.41,2.61,-49.59,3,7,1, 269.288, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.41,3.07,-117.67,4,7,2, 270.296, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.41,1.22,-12.39,2,7,0, 268.28, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.41,1.18,-12.42,2,7,0, 268.28, 2 lo: mol2,
SDF,
SMILES,
flexibase 0.41,2.48,-52.93,3,7,1, 269.288, 2
|  |
15674769 #90
 
| eMolecules: 48545635 AnalytiCon Discovery NP BB: FRG-00010 KeyOrganics: GS-0108 PubChem: 26744232 ref: mol2,
SDF,
SMILES,
flexibase 0.30,-1.32,-44.47,3,5,1, 198.246, 2
Similar to: 21815203, 21815205, 21815207, 21815209, 21817295, ... 8 in total.
|  |
15674731 #91
 
| eMolecules: 48545633 AnalytiCon Discovery NP BB: FRG-00009 KeyOrganics: GS-0107 PubChem: 26744191 ref: mol2,
SDF,
SMILES,
flexibase 1.33,0.04,-46.64,3,6,1, 262.289, 3
|  |
15674134 #92
 
| eMolecules: 48545631 AnalytiCon Discovery NP BB: FRG-00008 KeyOrganics: GS-0106 PubChem: 26743601 ref: mol2,
SDF,
SMILES,
flexibase 1.28,0.72,-45.39,3,5,1, 232.263, 2
Similar to: 34973396, 34973398, 49587728,
|  |
15674480 #93
 
| eMolecules: 48545629 AnalytiCon Discovery NP BB: FRG-00007 KeyOrganics: GS-0105 PubChem: 26743951 ref: mol2,
SDF,
SMILES,
flexibase -0.01,-1.08,-48.58,3,6,1, 233.251, 2
|  |
15674067 #94
 
| eMolecules: 48545625 AnalytiCon Discovery NP BB: FRG-00005 KeyOrganics: GS-0103 PubChem: 26743535 ref: mol2,
SDF,
SMILES,
flexibase -0.55,-3.03,-49.74,3,7,1, 234.239, 2
|  |
67870525 #95
 
| eMolecules: 48545761 AnalytiCon Discovery NP BB: FRG-00085 KeyOrganics: GS-0172 ref: mol2,
SDF,
SMILES,
flexibase -1.64,0.83,-36.7,4,6,1, 266.321, 3 mid: mol2,
SDF,
SMILES,
flexibase -1.64,-0.06,-6.92,3,6,0, 265.313, 3 mid: mol2,
SDF,
SMILES,
flexibase -1.64,0.27,-44.89,4,6,1, 266.321, 3 lo: mol2,
SDF,
SMILES,
flexibase -1.64,0.74,-98.63,5,6,2, 267.329, 3
|  |
67870523 #96
 
| eMolecules: 48545759 AnalytiCon Discovery NP BB: FRG-00084 KeyOrganics: GS-0171 ref: mol2,
SDF,
SMILES,
flexibase -0.18,1.23,-137.81,6,6,2, 296.367, 5 mid: mol2,
SDF,
SMILES,
flexibase -0.18,1.97,-85.19,5,6,1, 295.359, 5 mid: mol2,
SDF,
SMILES,
flexibase -0.18,0.45,-46.09,5,6,1, 295.359, 5 mid: mol2,
SDF,
SMILES,
flexibase -0.18,0.79,-41.61,5,6,1, 295.359, 5 hi: mol2,
SDF,
SMILES,
flexibase -0.18,0.18,-7.15,4,6,0, 294.351, 5
|  |
67870521 #97
 
| eMolecules: 48545757 AnalytiCon Discovery NP BB: FRG-00083 KeyOrganics: GS-0170 ref: mol2,
SDF,
SMILES,
flexibase 0.28,3.18,-64.62,2,5,0, 256.346, 5 mid: mol2,
SDF,
SMILES,
flexibase 0.28,5.45,-116.91,3,5,1, 257.354, 5
|  |
67870520 #98
 
| eMolecules: 48545755 AnalytiCon Discovery NP BB: FRG-00082 KeyOrganics: GS-0169 ref: mol2,
SDF,
SMILES,
flexibase 1.50,7.21,-106.81,3,4,2, 258.406, 8
|  |
67870517 #99
 
| eMolecules: 48545753 AnalytiCon Discovery NP BB: FRG-00081 KeyOrganics: GS-0168 Individual Suppliers: ZINC67870517 ref: mol2,
SDF,
SMILES,
flexibase -0.40,2.03,-46.68,4,5,1, 265.333, 3 mid: mol2,
SDF,
SMILES,
flexibase -0.40,2.79,-36.67,3,5,0, 264.325, 3 hi: mol2,
SDF,
SMILES,
flexibase -0.40,1.72,-5,3,5,0, 264.325, 3
|  |
67870515 #100
 
| eMolecules: 48545751 AnalytiCon Discovery NP BB: FRG-00080 KeyOrganics: GS-0167 ref: mol2,
SDF,
SMILES,
flexibase -2.04,-3.07,-42.33,5,6,1, 245.299, 2 mid: mol2,
SDF,
SMILES,
flexibase -2.04,-3.4,-5.45,4,6,0, 244.291, 2 hi: mol2,
SDF,
SMILES,
flexibase -2.04,-2.5,-28.65,5,6,1, 245.299, 2
Similar to: 12529654,
|  |
Old detail retrieval took 2 seconds.
select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 503 ) limit 0,100