ZINC ID	Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity	Structure Click for quick 3D display
9926178   #1	AKOS: AKOS015954377 Zylexa Pharma: RMS02454 PubChem: 41281308, 17131867 ref: mol2, SDF, SMILES, flexibase 5.22,-0.91,-11.14,1,4,0, 490.806, 5 Similar to: 9926116, 9926117, 9926175, 9926176, 9926177, ... 5 in total.
9926177   #2	AKOS: AKOS015954377 Zylexa Pharma: RMS02454 PubChem: 41281307, 17131867 ref: mol2, SDF, SMILES, flexibase 5.22,-0.63,-14.34,1,4,0, 490.806, 5 Similar to: 9926178, 9926116, 9926117, 9926175, 9926176, ... 5 in total.
9926176   #3	AKOS: AKOS015954377 Zylexa Pharma: RMS02454 PubChem: 41281306, 17131867 ref: mol2, SDF, SMILES, flexibase 5.22,-0.75,-12.42,1,4,0, 490.806, 5 Similar to: 9926177, 9926178, 9926116, 9926117, 9926175, ... 5 in total.
9926175   #4	AKOS: AKOS015954377 Zylexa Pharma: RMS02454 PubChem: 41281305, 17131867 ref: mol2, SDF, SMILES, flexibase 5.22,-0.91,-10.52,1,4,0, 490.806, 5 Similar to: 9926176, 9926177, 9926178,
9926174   #5	AKOS: AKOS015954350 Zylexa Pharma: RMS02453 PubChem: 41281304, 17131866 ref: mol2, SDF, SMILES, flexibase 6.53,0.75,-12.36,1,4,0, 526.496, 6 Similar to: 9926112, 9926113, 9926157, 9926158, 9926173, ... 5 in total.
9926173   #6	AKOS: AKOS015954350 Zylexa Pharma: RMS02453 PubChem: 41281303, 17131866 ref: mol2, SDF, SMILES, flexibase 6.53,0.83,-11.31,1,4,0, 526.496, 6 Similar to: 9926174, 9926112, 9926113, 9926157, 9926158, ... 5 in total.
9926172   #7	AKOS: AKOS015954349 Zylexa Pharma: RMS02452 PubChem: 41281302, 17131865 ref: mol2, SDF, SMILES, flexibase 5.36,-1.28,-12.55,1,4,0, 511.224, 5 Similar to: 9926171,
9926171   #8	AKOS: AKOS015954349 Zylexa Pharma: RMS02452 PubChem: 41281301, 17131865 ref: mol2, SDF, SMILES, flexibase 5.36,-1.34,-14.32,1,4,0, 511.224, 5 Similar to: 9926172,
9926170   #9	eMolecules: 7869717 Molport: MolPort-002-997-384 Mcule: MCULE-9530305756 Vitas-M: STK291822 Zylexa Pharma: RMS02451...11 total ref: mol2, SDF, SMILES, flexibase 4.68,-1.21,-14.74,1,4,0, 468.372, 3 Similar to: 9926167, 9926168, 9926169,
9926169   #10	eMolecules: 7869717 Molport: MolPort-002-997-384 Mcule: MCULE-9530305756 Vitas-M: STK291822 Zylexa Pharma: RMS02451...11 total ref: mol2, SDF, SMILES, flexibase 4.68,-2.1,-9.5,1,4,0, 468.372, 3 Similar to: 9926170, 9926167, 9926168,
9926168   #11	eMolecules: 7869717 Molport: MolPort-002-997-384 Mcule: MCULE-9530305756 Vitas-M: STK291822 Zylexa Pharma: RMS02451...11 total ref: mol2, SDF, SMILES, flexibase 4.68,-2.08,-10.73,1,4,0, 468.372, 3 Similar to: 9926169, 9926170, 9926167,
9926167   #12	eMolecules: 7869717 Molport: MolPort-002-997-384 Mcule: MCULE-9530305756 Vitas-M: STK291822 Zylexa Pharma: RMS02451...11 total ref: mol2, SDF, SMILES, flexibase 4.68,-1.23,-15.32,1,4,0, 468.372, 3 Similar to: 9926168, 9926169, 9926170,
9926166   #13	AKOS: AKOS015954323 Zylexa Pharma: RMS02450 PubChem: 41281296, 17131864 ref: mol2, SDF, SMILES, flexibase 5.38,-0.36,-13.75,1,4,0, 484.415, 7 Similar to: 10109864, 10109865, 9926102, 9926103, 9926104, ... 11 in total.
9926165   #14	AKOS: AKOS015954323 Zylexa Pharma: RMS02450 PubChem: 41281295, 17131864 ref: mol2, SDF, SMILES, flexibase 5.38,-0.34,-12.69,1,4,0, 484.415, 7 Similar to: 10109864, 10109865, 9926102, 9926103, 9926104, ... 11 in total.
9926164   #15	AKOS: AKOS015954298 Zylexa Pharma: RMS02449 PubChem: 41281294, 17131863 ref: mol2, SDF, SMILES, flexibase 5.27,-0.26,-10.44,1,4,0, 484.415, 5 Similar to: 9926147, 9926148, 9926163,
9926163   #16	AKOS: AKOS015954298 Zylexa Pharma: RMS02449 PubChem: 41281293, 17131863 ref: mol2, SDF, SMILES, flexibase 5.27,-0.15,-12.15,1,4,0, 484.415, 5 Similar to: 9926164, 9926147, 9926148,
9421014   #17	eMolecules: 7869711 Molport: MolPort-004-898-066 AKOS: AKOS015954297 IBScreen: STOCK6S-32264 Mcule: MCULE-3017256818...11 total ref: mol2, SDF, SMILES, flexibase 3.62,0.36,-14.05,1,5,0, 460.349, 5
9421013   #18	eMolecules: 7869711 Molport: MolPort-004-898-066 AKOS: AKOS015954297 IBScreen: STOCK6S-32264 Mcule: MCULE-3017256818...11 total ref: mol2, SDF, SMILES, flexibase 3.62,0.4,-13.89,1,5,0, 460.349, 5
9926152   #19	AKOS: AKOS015954271 Zylexa Pharma: RMS02447 PubChem: 41281282, 17131332 ref: mol2, SDF, SMILES, flexibase 4.19,-1.76,-13.37,1,4,0, 462.39, 5 Similar to: 9926151,
9926151   #20	AKOS: AKOS015954271 Zylexa Pharma: RMS02447 PubChem: 41281281, 17131332 ref: mol2, SDF, SMILES, flexibase 4.19,-1.6,-11.76,1,4,0, 462.39, 5 Similar to: 9926152,
9926162   #21	AKOS: AKOS015954270 Zylexa Pharma: RMS02446 PubChem: 41281292, 17131861 ref: mol2, SDF, SMILES, flexibase 4.11,-0.57,-16.23,1,6,0, 502.386, 7 Similar to: 9926161,
9926161   #22	AKOS: AKOS015954270 Zylexa Pharma: RMS02446 PubChem: 41281291, 17131861 ref: mol2, SDF, SMILES, flexibase 4.11,-0.52,-15.82,1,6,0, 502.386, 7 Similar to: 9926162,
10110124   #23	AKOS: AKOS015954655 Zylexa Pharma: RMS02445 PubChem: 17172798 ref: mol2, SDF, SMILES, flexibase 4.10,-0.98,-16.9,1,5,0, 472.36, 6 Similar to: 10110123,
10110123   #24	AKOS: AKOS015954655 Zylexa Pharma: RMS02445 PubChem: 17172798 ref: mol2, SDF, SMILES, flexibase 4.10,-0.92,-16.16,1,5,0, 472.36, 6 Similar to: 10110124,
9926160   #25	AKOS: AKOS015954654 Zylexa Pharma: RMS02444 PubChem: 41281290, 17131860 ref: mol2, SDF, SMILES, flexibase 4.08,-0.58,-16.77,1,5,0, 472.36, 6 Similar to: 10109864, 10109865, 9926159,
9926159   #26	AKOS: AKOS015954654 Zylexa Pharma: RMS02444 PubChem: 41281289, 17131860 ref: mol2, SDF, SMILES, flexibase 4.08,-0.52,-14.89,1,5,0, 472.36, 6 Similar to: 9926160, 10109864, 10109865,
9926150   #27	AKOS: AKOS015954631 Zylexa Pharma: RMS02443 PubChem: 41281280, 17131330 ref: mol2, SDF, SMILES, flexibase 4.50,-0.91,-15.06,1,5,0, 486.387, 7 Similar to: 9575732, 9926118, 9926149,
9926149   #28	AKOS: AKOS015954631 Zylexa Pharma: RMS02443 PubChem: 41281279, 17131330 ref: mol2, SDF, SMILES, flexibase 4.50,-0.89,-13.87,1,5,0, 486.387, 7 Similar to: 9926150, 9575732, 9926118,
9926148   #29	AKOS: AKOS015954630 Zylexa Pharma: RMS02442 PubChem: 41281278, 17131329 ref: mol2, SDF, SMILES, flexibase 4.90,-0.55,-12.59,1,4,0, 470.388, 5 Similar to: 9926163, 9926164, 9926147,
9926147   #30	AKOS: AKOS015954630 Zylexa Pharma: RMS02442 PubChem: 41281277, 17131329 ref: mol2, SDF, SMILES, flexibase 4.90,-0.44,-10.82,1,4,0, 470.388, 5 Similar to: 9926148, 9926163, 9926164,
9926158   #31	AKOS: AKOS015954604 Zylexa Pharma: RMS02441 PubChem: 41281288, 17131859 ref: mol2, SDF, SMILES, flexibase 5.27,-0.08,-12.83,1,4,0, 484.415, 5 Similar to: 9926173, 9926174, 9926112, 9926113, 9926157, ... 5 in total.
9926157   #32	AKOS: AKOS015954604 Zylexa Pharma: RMS02441 PubChem: 41281287, 17131859 ref: mol2, SDF, SMILES, flexibase 5.27,0.03,-11.18,1,4,0, 484.415, 5 Similar to: 9926158, 9926173, 9926174,
9926146   #33	AKOS: AKOS015954603 Zylexa Pharma: RMS02440 PubChem: 41281276, 17131328 ref: mol2, SDF, SMILES, flexibase 5.23,-0.98,-15.8,1,4,0, 492.394, 5 Similar to: 9926145,
9926145   #34	AKOS: AKOS015954603 Zylexa Pharma: RMS02440 PubChem: 41281275, 17131328 ref: mol2, SDF, SMILES, flexibase 5.23,-0.87,-15.46,1,4,0, 492.394, 5 Similar to: 9926146,
9575517   #35	eMolecules: 7868769 Molport: MolPort-004-898-055 AKOS: AKOS015954578 IBScreen: STOCK6S-36802 Mcule: MCULE-1127688857...11 total ref: mol2, SDF, SMILES, flexibase 2.83,-1.83,-13.8,1,5,0, 443.322, 5 Similar to: 9575516,
9575516   #36	eMolecules: 7868769 Molport: MolPort-004-898-055 AKOS: AKOS015954578 IBScreen: STOCK6S-36802 Mcule: MCULE-1127688857...11 total ref: mol2, SDF, SMILES, flexibase 2.83,-1.73,-13.26,1,5,0, 443.322, 5 Similar to: 9575517,
8992498   #37	eMolecules: 7868767 Molport: MolPort-000-845-367 AKOS: AKOS005528768 IBScreen: STOCK6S-41357 Mcule: MCULE-7415371429...12 total ref: mol2, SDF, SMILES, flexibase 2.90,-1.84,-13.46,1,5,0, 443.322, 5 Similar to: 8992497,
8992497   #38	eMolecules: 7868767 Molport: MolPort-000-845-367 AKOS: AKOS005528768 IBScreen: STOCK6S-41357 Mcule: MCULE-7415371429...12 total ref: mol2, SDF, SMILES, flexibase 2.90,-1.78,-11.68,1,5,0, 443.322, 5 Similar to: 8992498,
9926144   #39	AKOS: AKOS015954554 Zylexa Pharma: RMS02437 PubChem: 41281274, 17131326 ref: mol2, SDF, SMILES, flexibase 4.33,-1.34,-15.77,1,6,0, 512.381, 6 Similar to: 9926143,
9926143   #40	AKOS: AKOS015954554 Zylexa Pharma: RMS02437 PubChem: 41281273, 17131326 ref: mol2, SDF, SMILES, flexibase 4.33,-1.39,-14.2,1,6,0, 512.381, 6 Similar to: 9926144,
9926142   #41	eMolecules: 7868763 Molport: MolPort-004-898-053 AKOS: AKOS015954553 IBScreen: STOCK6S-39055 Mcule: MCULE-5220073942...12 total ref: mol2, SDF, SMILES, flexibase 3.55,-0.49,-11.05,1,5,0, 446.322, 5 Similar to: 9926141,
9926141   #42	eMolecules: 7868763 Molport: MolPort-004-898-053 AKOS: AKOS015954553 IBScreen: STOCK6S-39055 Mcule: MCULE-5220073942...12 total ref: mol2, SDF, SMILES, flexibase 3.55,-0.35,-13.08,1,5,0, 446.322, 5 Similar to: 9926142,
9926140   #43	AKOS: AKOS015954505 Zylexa Pharma: RMS02433 PubChem: 41281270, 17131322 ref: mol2, SDF, SMILES, flexibase 4.11,-0.58,-17.65,1,6,0, 502.386, 7 Similar to: 9926139,
9926139   #44	AKOS: AKOS015954505 Zylexa Pharma: RMS02433 PubChem: 41281269, 17131322 ref: mol2, SDF, SMILES, flexibase 4.11,-0.48,-15.85,1,6,0, 502.386, 7 Similar to: 9926140,
9926138   #45	AKOS: AKOS015954504 Zylexa Pharma: RMS02432 PubChem: 41281268, 17131321 ref: mol2, SDF, SMILES, flexibase 4.96,-0.28,-13.68,1,4,0, 494.41, 7 Similar to: 9926137,
9926137   #46	AKOS: AKOS015954504 Zylexa Pharma: RMS02432 PubChem: 41281267, 17131321 ref: mol2, SDF, SMILES, flexibase 4.96,-0.17,-12.89,1,4,0, 494.41, 7 Similar to: 9926138,
9926136   #47	AKOS: AKOS015954480 Zylexa Pharma: RMS02431 PubChem: 41281266, 17131320 ref: mol2, SDF, SMILES, flexibase 4.44,-0.64,-13.49,1,4,0, 468.372, 6 Similar to: 9926135,
9926135   #48	AKOS: AKOS015954480 Zylexa Pharma: RMS02431 PubChem: 41281265, 17131320 ref: mol2, SDF, SMILES, flexibase 4.44,-0.54,-12.63,1,4,0, 468.372, 6 Similar to: 9926136,
9926134   #49	eMolecules: 7868751 Molport: MolPort-000-853-785 IBScreen: STOCK6S-38927 Mcule: MCULE-2929717140 Pharmeks: PHAR194983...11 total ref: mol2, SDF, SMILES, flexibase 3.97,-1.75,-12.86,1,4,0, 448.363, 5 Similar to: 9926133,
9926133   #50	eMolecules: 7868751 Molport: MolPort-000-853-785 IBScreen: STOCK6S-38927 Mcule: MCULE-2929717140 Pharmeks: PHAR194983...11 total ref: mol2, SDF, SMILES, flexibase 3.97,-1.86,-13.44,1,4,0, 448.363, 5 Similar to: 9926134,
9052664   #51	eMolecules: 7868749 Molport: MolPort-000-849-486 AKOS: AKOS005528756 IBScreen: STOCK6S-42959 Mcule: MCULE-3987889917...12 total ref: mol2, SDF, SMILES, flexibase 3.33,-0.57,-11.51,1,5,0, 432.295, 5 Similar to: 9052659,
9052659   #52	eMolecules: 7868749 Molport: MolPort-000-849-486 AKOS: AKOS005528756 IBScreen: STOCK6S-42959 Mcule: MCULE-3987889917...12 total ref: mol2, SDF, SMILES, flexibase 3.33,-0.46,-13.25,1,5,0, 432.295, 5 Similar to: 9052664,
9926132   #53	AKOS: AKOS015954454 Zylexa Pharma: RMS02428 PubChem: 41281262, 17131319 ref: mol2, SDF, SMILES, flexibase 5.87,-0.43,-12.31,1,4,0, 518.432, 6 Similar to: 9926131,
9926131   #54	AKOS: AKOS015954454 Zylexa Pharma: RMS02428 PubChem: 41281261, 17131319 ref: mol2, SDF, SMILES, flexibase 5.87,-0.41,-14.32,1,4,0, 518.432, 6 Similar to: 9926132,
9926130   #55	AKOS: AKOS015954429 Zylexa Pharma: RMS02427 PubChem: 41281260, 17131318 ref: mol2, SDF, SMILES, flexibase 5.25,-1.01,-13.48,1,4,0, 496.426, 5 Similar to: 9926129,
9926129   #56	AKOS: AKOS015954429 Zylexa Pharma: RMS02427 PubChem: 41281259, 17131318 ref: mol2, SDF, SMILES, flexibase 5.25,-1.14,-14.05,1,4,0, 496.426, 5 Similar to: 9926130,
9926128   #57	AKOS: AKOS015954428 Zylexa Pharma: RMS02426 PubChem: 41281258, 17131317 ref: mol2, SDF, SMILES, flexibase 5.25,-0.88,-14.96,1,4,0, 492.394, 5 Similar to: 9926127,
9926127   #58	AKOS: AKOS015954428 Zylexa Pharma: RMS02426 PubChem: 41281257, 17131317 ref: mol2, SDF, SMILES, flexibase 5.25,-0.76,-13.26,1,4,0, 492.394, 5 Similar to: 9926128,
9926126   #59	AKOS: AKOS015954403 Zylexa Pharma: RMS02425 PubChem: 41281256, 17131316 ref: mol2, SDF, SMILES, flexibase 3.58,-1.78,-16.67,1,6,0, 500.37, 5 Similar to: 9926125,
9926125   #60	AKOS: AKOS015954403 Zylexa Pharma: RMS02425 PubChem: 41281255, 17131316 ref: mol2, SDF, SMILES, flexibase 3.58,-1.85,-17.43,1,6,0, 500.37, 5 Similar to: 9926126,
9926120   #61	AKOS: AKOS015954375 Zylexa Pharma: RMS02422 PubChem: 41281250, 17131313 ref: mol2, SDF, SMILES, flexibase 3.72,-0.67,-17.34,1,6,0, 502.386, 7 Similar to: 9531010, 9531011, 9926119,
9926119   #62	AKOS: AKOS015954375 Zylexa Pharma: RMS02422 PubChem: 41281249, 17131313 ref: mol2, SDF, SMILES, flexibase 3.72,-0.57,-16.61,1,6,0, 502.386, 7 Similar to: 9926120, 9531010, 9531011,
9926118   #63	eMolecules: 7868733 Molport: MolPort-004-898-040 AKOS: AKOS015954348 IBScreen: STOCK6S-36989 Mcule: MCULE-2168751428...11 total ref: mol2, SDF, SMILES, flexibase 4.13,-0.92,-15.28,1,5,0, 472.36, 6 Similar to: 9926149, 9926150, 9575732,
9575732   #64	eMolecules: 7868733 Molport: MolPort-004-898-040 AKOS: AKOS015954348 IBScreen: STOCK6S-36989 Mcule: MCULE-2168751428...11 total ref: mol2, SDF, SMILES, flexibase 4.13,-0.9,-14.14,1,5,0, 472.36, 6 Similar to: 9926118, 9926149, 9926150,
9926117   #65	AKOS: AKOS015954321 Zylexa Pharma: RMS02418 PubChem: 41281247, 17131309 ref: mol2, SDF, SMILES, flexibase 4.75,-1.09,-12.37,1,4,0, 476.779, 5 Similar to: 9926175, 9926176, 9926177, 9926178, ... 5 in total.
9926116   #66	AKOS: AKOS015954321 Zylexa Pharma: RMS02418 PubChem: 41281246, 17131309 ref: mol2, SDF, SMILES, flexibase 4.75,-1.11,-13.3,1,4,0, 476.779, 5 Similar to: 9926117, 9926175, 9926176, 9926177, 9926178, ... 5 in total.
9926115   #67	AKOS: AKOS015954296 Zylexa Pharma: RMS02417 PubChem: 41281245, 17131308 ref: mol2, SDF, SMILES, flexibase 4.23,-0.2,-12.72,1,4,0, 460.324, 5 Similar to: 9926114,
9926114   #68	AKOS: AKOS015954296 Zylexa Pharma: RMS02417 PubChem: 41281244, 17131308 ref: mol2, SDF, SMILES, flexibase 4.23,-0.22,-13.73,1,4,0, 460.324, 5 Similar to: 9926115,
9926113   #69	AKOS: AKOS015954295 Zylexa Pharma: RMS02416 PubChem: 41281243, 17131307 ref: mol2, SDF, SMILES, flexibase 4.90,-0.5,-12.91,1,4,0, 470.388, 5 Similar to: 9926157, 9926158, 9926173, 9926174, ... 5 in total.
9926112   #70	AKOS: AKOS015954295 Zylexa Pharma: RMS02416 PubChem: 41281242, 17131307 ref: mol2, SDF, SMILES, flexibase 4.90,-0.44,-11.01,1,4,0, 470.388, 5 Similar to: 9926113, 9926157, 9926158, 9926173, 9926174, ... 5 in total.
9926111   #71	AKOS: AKOS015954269 Zylexa Pharma: RMS02415 PubChem: 41281241, 17131306 ref: mol2, SDF, SMILES, flexibase 5.78,0.19,-13.6,1,4,0, 498.442, 6 Similar to: 9926102, 9926103, 9926104, 9926105, 9926106, ... 9 in total.
9926110   #72	AKOS: AKOS015954269 Zylexa Pharma: RMS02415 PubChem: 41281240, 17131306 ref: mol2, SDF, SMILES, flexibase 5.78,0.21,-12.61,1,4,0, 498.442, 6 Similar to: 9926111, 9926165, 9926166, 10109864, 10109865, ... 13 in total.
9926109   #73	AKOS: AKOS015954268 Zylexa Pharma: RMS02414 PubChem: 41281239, 17131305 ref: mol2, SDF, SMILES, flexibase 5.58,-0.16,-13.7,1,4,0, 484.415, 6 Similar to: 9926110, 9926111, 9926165, 9926166, 10109864, ... 13 in total.
9926108   #74	AKOS: AKOS015954268 Zylexa Pharma: RMS02414 PubChem: 41281238, 17131305 ref: mol2, SDF, SMILES, flexibase 5.58,-0.14,-12.86,1,4,0, 484.415, 6 Similar to: 9926109, 9926110, 9926111, 9926165, 9926166, ... 13 in total.
9926107   #75	AKOS: AKOS015954653 Zylexa Pharma: RMS02413 PubChem: 41281237, 17131304 ref: mol2, SDF, SMILES, flexibase 4.99,-0.48,-13.88,1,4,0, 470.388, 6 Similar to: 9926108, 9926109, 9926110, 9926111, 9926165, ... 13 in total.
9926106   #76	AKOS: AKOS015954653 Zylexa Pharma: RMS02413 PubChem: 41281236, 17131304 ref: mol2, SDF, SMILES, flexibase 4.99,-0.46,-12.86,1,4,0, 470.388, 6 Similar to: 9926107, 9926108, 9926109, 9926110, 9926111, ... 13 in total.
9926105   #77	AKOS: AKOS015954652 Zylexa Pharma: RMS02412 PubChem: 41281235, 17131303 ref: mol2, SDF, SMILES, flexibase 4.52,-0.64,-14.14,1,4,0, 456.361, 5 Similar to: 9926106, 9926107, 9926108, 9926109, 9926110, ... 11 in total.
9926104   #78	AKOS: AKOS015954652 Zylexa Pharma: RMS02412 PubChem: 41281234, 17131303 ref: mol2, SDF, SMILES, flexibase 4.52,-0.62,-13.36,1,4,0, 456.361, 5 Similar to: 9926105, 9926106, 9926107, 9926108, 9926109, ... 11 in total.
9926103   #79	AKOS: AKOS015954629 Zylexa Pharma: RMS02411 PubChem: 41281233, 17131302 ref: mol2, SDF, SMILES, flexibase 4.07,-0.96,-11.34,1,4,0, 442.334, 5 Similar to: 9926104, 9926105, 9926106, 9926107, 9926108, ... 11 in total.
9926102   #80	AKOS: AKOS015954629 Zylexa Pharma: RMS02411 PubChem: 41281232, 17131302 ref: mol2, SDF, SMILES, flexibase 4.07,-0.94,-13.21,1,4,0, 442.334, 5 Similar to: 9926103, 9926104, 9926105, 9926106, 9926107, ... 11 in total.
9926101   #81	AKOS: AKOS015954628 Zylexa Pharma: RMS02410 PubChem: 41281231, 17131301 ref: mol2, SDF, SMILES, flexibase 3.97,-0.37,-17.09,1,5,0, 427.909, 6 Similar to: 9926100,
9926100   #82	AKOS: AKOS015954628 Zylexa Pharma: RMS02410 PubChem: 41281230, 17131301 ref: mol2, SDF, SMILES, flexibase 3.97,-0.31,-16.35,1,5,0, 427.909, 6 Similar to: 9926101,
9926099   #83	AKOS: AKOS015954602 Zylexa Pharma: RMS02409 PubChem: 41281229, 17131300 ref: mol2, SDF, SMILES, flexibase 3.95,0.03,-16.93,1,5,0, 427.909, 6 Similar to: 9926098,
9926098   #84	AKOS: AKOS015954602 Zylexa Pharma: RMS02409 PubChem: 41281228, 17131300 ref: mol2, SDF, SMILES, flexibase 3.95,0.09,-15.08,1,5,0, 427.909, 6 Similar to: 9926099,
9926097   #85	AKOS: AKOS015954601 Zylexa Pharma: RMS02408 PubChem: 41281227, 17131299 ref: mol2, SDF, SMILES, flexibase 4.37,-0.3,-15.24,1,5,0, 441.936, 7 Similar to: 9926059, 9926060, 9926096,
9926096   #86	AKOS: AKOS015954601 Zylexa Pharma: RMS02408 PubChem: 41281226, 17131299 ref: mol2, SDF, SMILES, flexibase 4.37,-0.27,-14.05,1,5,0, 441.936, 7 Similar to: 9926097, 9926059, 9926060,
9926095   #87	AKOS: AKOS015954577 Zylexa Pharma: RMS02407 PubChem: 41281225, 17131298 ref: mol2, SDF, SMILES, flexibase 4.76,0.06,-12.8,1,4,0, 425.937, 5 Similar to: 9926094,
9926094   #88	AKOS: AKOS015954577 Zylexa Pharma: RMS02407 PubChem: 41281224, 17131298 ref: mol2, SDF, SMILES, flexibase 4.76,0.17,-10.96,1,4,0, 425.937, 5 Similar to: 9926095,
9926093   #89	AKOS: AKOS015954576 Zylexa Pharma: RMS02406 PubChem: 41281223, 17131297 ref: mol2, SDF, SMILES, flexibase 5.14,0.53,-13.03,1,4,0, 439.964, 5 Similar to: 9926049, 9926050, 9926092,
9926092   #90	AKOS: AKOS015954576 Zylexa Pharma: RMS02406 PubChem: 41281222, 17131297 ref: mol2, SDF, SMILES, flexibase 5.14,0.64,-11.35,1,4,0, 439.964, 5 Similar to: 9926093, 9926049, 9926050,
9926091   #91	AKOS: AKOS015954552 Zylexa Pharma: RMS02405 PubChem: 41281221, 17131296 ref: mol2, SDF, SMILES, flexibase 5.10,-0.37,-16.04,1,4,0, 447.943, 5 Similar to: 9926090,
9926090   #92	AKOS: AKOS015954552 Zylexa Pharma: RMS02405 PubChem: 41281220, 17131296 ref: mol2, SDF, SMILES, flexibase 5.10,-0.26,-15.67,1,4,0, 447.943, 5 Similar to: 9926091,
9926089   #93	AKOS: AKOS015954551 Zylexa Pharma: RMS02404 PubChem: 41281219, 17131295 ref: mol2, SDF, SMILES, flexibase 2.77,-1.23,-13.66,1,5,0, 398.871, 5 Similar to: 9926088,
9926088   #94	AKOS: AKOS015954551 Zylexa Pharma: RMS02404 PubChem: 41281218, 17131295 ref: mol2, SDF, SMILES, flexibase 2.77,-1.17,-11.8,1,5,0, 398.871, 5 Similar to: 9926089,
9926087   #95	eMolecules: 7868695 Molport: MolPort-004-898-022 AKOS: AKOS015954527 IBScreen: STOCK6S-32162 Mcule: MCULE-6005683332...11 total ref: mol2, SDF, SMILES, flexibase 3.42,0.12,-11.2,1,5,0, 401.871, 5 Similar to: 9420913,
9420913   #96	eMolecules: 7868695 Molport: MolPort-004-898-022 AKOS: AKOS015954527 IBScreen: STOCK6S-32162 Mcule: MCULE-6005683332...11 total ref: mol2, SDF, SMILES, flexibase 3.42,0.26,-13.25,1,5,0, 401.871, 5 Similar to: 9926087,
9926084   #97	AKOS: AKOS015954503 Zylexa Pharma: RMS02401 PubChem: 41281214, 17131292 ref: mol2, SDF, SMILES, flexibase 4.77,-2.05,-9.85,1,4,0, 482.808, 5 Similar to: 9926083,
9926083   #98	AKOS: AKOS015954503 Zylexa Pharma: RMS02401 PubChem: 41281213, 17131292 ref: mol2, SDF, SMILES, flexibase 4.77,-2.21,-11.45,1,4,0, 482.808, 5 Similar to: 9926084,
9926080   #99	AKOS: AKOS015954502 Zylexa Pharma: RMS02400 PubChem: 41281210, 17131290 ref: mol2, SDF, SMILES, flexibase 4.83,0.33,-13.87,1,4,0, 449.959, 7 Similar to: 9926079,
9926079   #100	AKOS: AKOS015954502 Zylexa Pharma: RMS02400 PubChem: 41281209, 17131290 ref: mol2, SDF, SMILES, flexibase 4.83,0.44,-13.06,1,4,0, 449.959, 7 Similar to: 9926080,

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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 = 598 ) limit 0,100

Smiles were