assay_uid stringlengths 9 15 | positive_smiles stringlengths 2 615 | positive_smiles_hash stringlengths 64 64 | negative_smiles listlengths 7 7 | negative_smiles_hashes listlengths 7 7 | example_weight float32 1 1.71 |
|---|---|---|---|---|---|
pubchem:743015 | On1ccccc1=S | 10f959b19321a10e02951f3980d5cd049a9104c061145bb0f57924d6db2b6a6c | [
"C=CCN1CCc2nc(N)sc2CC1",
"O=C(O)COc1cc(Cl)c(Cl)cc1Cl",
"CCCCCC(O)/C=C/C=O",
"CCO[Si](CCCS)(OCC)OCC",
"C=CCCCCCCCCC(=O)OCCCC",
"COc1cc(NC(=O)CC(C)=O)c(OC)cc1Cl",
"CCCCCCCCCC(=O)OCC"
] | [
"96378a1aeef7852889e387a9639863db43d0372ed0ac1e4f4eadbeea404c694b",
"aa2bd330a7496c470f022fcd74990974420658dec4032c01983574419da1e94d",
"d75b77dd2cf3c390d85ed3baa4bd64f74b57dfc2df9d75052312eb8d6739b694",
"7a6cefa2368de2a7feabd7447c5fb07becdf20147f3a6ba91d9f0cb4858862c9",
"f4d39e5ddbbc16109d7959e8986ff5306b8... | 1.350896 |
pubchem:743015 | On1ccccc1=S | 10f959b19321a10e02951f3980d5cd049a9104c061145bb0f57924d6db2b6a6c | [
"CCOC(Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O",
"CCCOC(OCCC)OCCC",
"Cc1ccccc1",
"O=C(NNCNNC(=O)c1ccncc1)c1ccncc1",
"CCN(CC)c1ccccc1",
"NNCCc1ccccc1",
"CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C"
] | [
"7cc102c02be4958d82549402f5ab80607739a1907e7c2c6742d69e5851bab48e",
"57a48918a3e1ce14cba8017fb19418f91b0225efd996027781a5beb4382ed482",
"5da1ba726f54707457f9b345ee903af6b90813f94b68ff79693d596e75457e77",
"f182fa5285a74aa656263a537d08a96915b02cc93dce518ce8dda69e2b28aa38",
"10256aa25d0d767ca7422627b9413e641ee... | 1.350896 |
pubchem:743015 | CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | 60c08705f47545662d444630a54776995496a4f2413536e00e2cf6741f36afcf | [
"CCOC(Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O",
"CCCOC(OCCC)OCCC",
"Cc1ccccc1",
"O=C(NNCNNC(=O)c1ccncc1)c1ccncc1",
"CCN(CC)c1ccccc1",
"NNCCc1ccccc1",
"CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C"
] | [
"7cc102c02be4958d82549402f5ab80607739a1907e7c2c6742d69e5851bab48e",
"57a48918a3e1ce14cba8017fb19418f91b0225efd996027781a5beb4382ed482",
"5da1ba726f54707457f9b345ee903af6b90813f94b68ff79693d596e75457e77",
"f182fa5285a74aa656263a537d08a96915b02cc93dce518ce8dda69e2b28aa38",
"10256aa25d0d767ca7422627b9413e641ee... | 1.349156 |
pubchem:743015 | CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | 60c08705f47545662d444630a54776995496a4f2413536e00e2cf6741f36afcf | [
"Cc1ccsc1C=CC1=NCCCN1C",
"O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O",
"CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1",
"CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC",
"COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC",
"CCOC(=O)c1cccnc1",
"COc1ccc(NC(C)=O)cc1"
] | [
"f15cf06aff5c69b801675065ce685ce8ba82615ca5293802d003fa576204b772",
"70d8d7cb0a3f009eefe777900fcca8136c20dc7cf2520aaa08583c26f08e683b",
"eff6011ce43830b09a76abb2fd861c2a37185585afdc6daa2a3cbe0be85fba20",
"81c8929afa95aea90856a33a9cf799b564ee8e8214046fd496deee7e4b89d962",
"f1436dd43b6ed45a720fc8e7be3b8be2b08... | 1.349156 |
pubchem:743015 | CC(C)C[C@H](NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | 7b6d5e5f115a28897fbac795eb7072615b95291c4ce33a93a894329b6be55e45 | [
"Cc1ccsc1C=CC1=NCCCN1C",
"O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O",
"CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1",
"CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC",
"COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC",
"CCOC(=O)c1cccnc1",
"COc1ccc(NC(C)=O)cc1"
] | [
"f15cf06aff5c69b801675065ce685ce8ba82615ca5293802d003fa576204b772",
"70d8d7cb0a3f009eefe777900fcca8136c20dc7cf2520aaa08583c26f08e683b",
"eff6011ce43830b09a76abb2fd861c2a37185585afdc6daa2a3cbe0be85fba20",
"81c8929afa95aea90856a33a9cf799b564ee8e8214046fd496deee7e4b89d962",
"f1436dd43b6ed45a720fc8e7be3b8be2b08... | 1.349156 |
pubchem:743015 | CC(C)C[C@H](NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | 7b6d5e5f115a28897fbac795eb7072615b95291c4ce33a93a894329b6be55e45 | [
"CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O",
"CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C",
"CCOCC(=O)O",
"COCC(C)N",
"CCCCCCCC(=O)N(C)C",
"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1",
"Brc1ccc(Br)cc1"
] | [
"96d0a3293f1c58934f46c027b6356d88d0d8eecb8837600a913016a01afccebd",
"c947df2298db31382812ba9d89ecefb8c9c13637d71597a7beeae3695f5dee0c",
"216b0d80103d76ee38bfa25ef6c285d23cfc20073315b145001e1231119525b8",
"8479db65cff15720f6c35a36d6210ec156f9e02c768b500f73da92fafc750d4a",
"51dd48ad3fe2271f84d422fad92ae35d156... | 1.349156 |
pubchem:743015 | COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC | d323e3200180eb7ad0a37b2947225016205bfcdeb36ef5a25216a0590453d1da | [
"CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O",
"CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C",
"CCOCC(=O)O",
"COCC(C)N",
"CCCCCCCC(=O)N(C)C",
"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1",
"Brc1ccc(Br)cc1"
] | [
"96d0a3293f1c58934f46c027b6356d88d0d8eecb8837600a913016a01afccebd",
"c947df2298db31382812ba9d89ecefb8c9c13637d71597a7beeae3695f5dee0c",
"216b0d80103d76ee38bfa25ef6c285d23cfc20073315b145001e1231119525b8",
"8479db65cff15720f6c35a36d6210ec156f9e02c768b500f73da92fafc750d4a",
"51dd48ad3fe2271f84d422fad92ae35d156... | 1.349156 |
pubchem:743015 | COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC | d323e3200180eb7ad0a37b2947225016205bfcdeb36ef5a25216a0590453d1da | [
"Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1",
"Nc1ccccc1",
"CC(CCC(=O)O)C(=O)O",
"CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23",
"CC1=C2[C@H](/C=C(\\C)C(=O)O)CC[C@@H](C)[C@H]2CC1",
"C1OCOCO1",
"C[N+](C)(C)Cc1ccccc1"
] | [
"df4c8fc534a2c028385bc58521e264b2a25a5ec9f2d8a43e5651610d78417939",
"21e9e6150c40c85711414c26e90362e12f4a60827a92f99cb2fad08748e20990",
"d626084134052fbedadd449d38492f7025fa18f2572ce928a60a3a990b9d98fe",
"5a58b7921bfacc7a3f58571f18c407c9d6d180a8f25f36f7ca7bd16c28ff8ab4",
"c1fe2ec6e1a42f26671396dbd3f37677ed4... | 1.349156 |
pubchem:743015 | Nc1nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1 | cc9fa9ac8bfbf8e1f2a646bbcdc8dfa35cc527003d541517b0afd56e64811a60 | [
"Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1",
"Nc1ccccc1",
"CC(CCC(=O)O)C(=O)O",
"CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23",
"CC1=C2[C@H](/C=C(\\C)C(=O)O)CC[C@@H](C)[C@H]2CC1",
"C1OCOCO1",
"C[N+](C)(C)Cc1ccccc1"
] | [
"df4c8fc534a2c028385bc58521e264b2a25a5ec9f2d8a43e5651610d78417939",
"21e9e6150c40c85711414c26e90362e12f4a60827a92f99cb2fad08748e20990",
"d626084134052fbedadd449d38492f7025fa18f2572ce928a60a3a990b9d98fe",
"5a58b7921bfacc7a3f58571f18c407c9d6d180a8f25f36f7ca7bd16c28ff8ab4",
"c1fe2ec6e1a42f26671396dbd3f37677ed4... | 1.349156 |
pubchem:743015 | Nc1nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1 | cc9fa9ac8bfbf8e1f2a646bbcdc8dfa35cc527003d541517b0afd56e64811a60 | [
"CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O",
"CCN(CC)C(C)=O",
"Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21",
"CCCN(CCC)C(=O)SCC",
"COP(=O)(O)OP(=O)(O)OC",
"ClCCBr",
"O=[N+]([O-])c1ccccc1CCl"
] | [
"5427d41ce55da3d3a555c0d59544af66d3dfd2eda5468bbfbcdfda4830ab760f",
"a7a81ce52b9c8431a8202e6ce0bcff268849c84273c4ce5e5b22befa19865e83",
"39a2d9f0b845c9544cc866011679de14f64bf3afd0650dfc301e1e4eaaf89672",
"921f0a77b2051d27b8959028c2053a99db2325b769bc7e56ee1a8b85ece02e79",
"6b055ab6b9361ba8a6c095b09d185d322ea... | 1.349156 |
pubchem:743015 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1 | 883c68c75ff4f0956517f5495e2205a47bceafe0355d21cca3acc418b2cef78f | [
"CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O",
"CCN(CC)C(C)=O",
"Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21",
"CCCN(CCC)C(=O)SCC",
"COP(=O)(O)OP(=O)(O)OC",
"ClCCBr",
"O=[N+]([O-])c1ccccc1CCl"
] | [
"5427d41ce55da3d3a555c0d59544af66d3dfd2eda5468bbfbcdfda4830ab760f",
"a7a81ce52b9c8431a8202e6ce0bcff268849c84273c4ce5e5b22befa19865e83",
"39a2d9f0b845c9544cc866011679de14f64bf3afd0650dfc301e1e4eaaf89672",
"921f0a77b2051d27b8959028c2053a99db2325b769bc7e56ee1a8b85ece02e79",
"6b055ab6b9361ba8a6c095b09d185d322ea... | 1.348752 |
pubchem:743015 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1 | 883c68c75ff4f0956517f5495e2205a47bceafe0355d21cca3acc418b2cef78f | [
"O=Cc1ccc(CO)o1",
"CCC(Cl)CCl",
"CCCCCC[C@@H](O)C/C=C\\CCCCCCCC(=O)OC",
"Clc1ccc(C(Cl)(Cl)Cl)cn1",
"O=NO",
"CCOC(=O)/C=C\\C(=O)OCC",
"CCCCOC(=O)CCC(=O)OCCCC"
] | [
"96226ba065521a24fc6f4f9f93cfd579afe2560e74fc3d04bcc699df1be1192c",
"56677d3718b623b213e32b7986a051ff760c5b873b370b9107241bf3119eb925",
"0e4b5094daebc8771e2f5316e6108da54a22f836fa5750f8d51b87d0a4319ad8",
"dfd68c12db102d381a642de12ec6e9a0e1a4e0ffcd620db67e59636aef7e39cd",
"b16587e1d1f0cec1fa2c993397ad8361170... | 1.348752 |
pubchem:743015 | CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 | 65a56f4d26ed4174370d0e48ea99d68f7c6e34c0f17d1363c8e46aed8fd38a9b | [
"O=Cc1ccc(CO)o1",
"CCC(Cl)CCl",
"CCCCCC[C@@H](O)C/C=C\\CCCCCCCC(=O)OC",
"Clc1ccc(C(Cl)(Cl)Cl)cn1",
"O=NO",
"CCOC(=O)/C=C\\C(=O)OCC",
"CCCCOC(=O)CCC(=O)OCCCC"
] | [
"96226ba065521a24fc6f4f9f93cfd579afe2560e74fc3d04bcc699df1be1192c",
"56677d3718b623b213e32b7986a051ff760c5b873b370b9107241bf3119eb925",
"0e4b5094daebc8771e2f5316e6108da54a22f836fa5750f8d51b87d0a4319ad8",
"dfd68c12db102d381a642de12ec6e9a0e1a4e0ffcd620db67e59636aef7e39cd",
"b16587e1d1f0cec1fa2c993397ad8361170... | 1.348752 |
pubchem:743015 | CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 | 65a56f4d26ed4174370d0e48ea99d68f7c6e34c0f17d1363c8e46aed8fd38a9b | [
"CC(=O)OC(C)(C)C1CC=C(C)CC1",
"Cn1c(N)nc2c3cccnc3ccc21",
"CCC[N+](CCC)(CCC)CCC",
"O=[N+]([O-])c1ccc2ncccc2c1",
"CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C",
"CC1=CCC(C(C)C)=CC1",
"C1CCOC1"
] | [
"0859a6745b8c731a6886676099aade9abea04f8d7abec411e2d7c2a1ed8990bf",
"ef9f00616232223484cf548b0b8890b9df251ac0673a7ecc10b1e5600507ae47",
"92af5d931b6097a44228b083cfec0d88c205467b628d1899407958835a407f1d",
"18984f27d45dafb0f190a0c4fde58ae7ff8650b4d0022cb2b95cb4c3eb3a31fc",
"b46636829cccb575aa93a51e9cfe6c46170... | 1.348752 |
pubchem:743015 | CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1 | c0838d68e26f5885ba941da63ff779dd0b1f566521b473257114f406846f1413 | [
"CC(=O)OC(C)(C)C1CC=C(C)CC1",
"Cn1c(N)nc2c3cccnc3ccc21",
"CCC[N+](CCC)(CCC)CCC",
"O=[N+]([O-])c1ccc2ncccc2c1",
"CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C",
"CC1=CCC(C(C)C)=CC1",
"C1CCOC1"
] | [
"0859a6745b8c731a6886676099aade9abea04f8d7abec411e2d7c2a1ed8990bf",
"ef9f00616232223484cf548b0b8890b9df251ac0673a7ecc10b1e5600507ae47",
"92af5d931b6097a44228b083cfec0d88c205467b628d1899407958835a407f1d",
"18984f27d45dafb0f190a0c4fde58ae7ff8650b4d0022cb2b95cb4c3eb3a31fc",
"b46636829cccb575aa93a51e9cfe6c46170... | 1.347482 |
pubchem:743015 | CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)[C@@]1(C)CO1 | c0838d68e26f5885ba941da63ff779dd0b1f566521b473257114f406846f1413 | [
"CCCCCCC(O)CO",
"O=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1",
"CN(Cc1ccccc1)Cc1ccccc1",
"CC(O)C(N)C(=O)O",
"NNC(=O)c1ccncc1",
"CC(=O)C(C)=O",
"NC(=O)c1ccccc1O"
] | [
"9c1a3226f45b55f7ce8c738660840c1522aad2df3d49c0cb2533b4ff741bbbd4",
"69923c7ef79261326c91b4fea2e359e45f644aaa32699ee2573fc578e6d5d50f",
"d86cdb1f75bfb8d01496a3cc9921010a06ca5c141453af766aef9e541f3afddc",
"a479708a64c518b4a32bc8d49676d0853315a2a7c95bb67513c1fe379655c49e",
"280e1ddff7d22e01587af522b4aaf3aabf6... | 1.347482 |
pubchem:743015 | CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C | cd8ce3304e71816a28b3deddd004950b418180e40a67114bd342661d388d9f11 | [
"CCCCCCC(O)CO",
"O=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1",
"CN(Cc1ccccc1)Cc1ccccc1",
"CC(O)C(N)C(=O)O",
"NNC(=O)c1ccncc1",
"CC(=O)C(C)=O",
"NC(=O)c1ccccc1O"
] | [
"9c1a3226f45b55f7ce8c738660840c1522aad2df3d49c0cb2533b4ff741bbbd4",
"69923c7ef79261326c91b4fea2e359e45f644aaa32699ee2573fc578e6d5d50f",
"d86cdb1f75bfb8d01496a3cc9921010a06ca5c141453af766aef9e541f3afddc",
"a479708a64c518b4a32bc8d49676d0853315a2a7c95bb67513c1fe379655c49e",
"280e1ddff7d22e01587af522b4aaf3aabf6... | 1.345872 |
pubchem:743015 | CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C | cd8ce3304e71816a28b3deddd004950b418180e40a67114bd342661d388d9f11 | [
"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O",
"CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC",
"CCCCC(=O)N(C)C",
"CCCCCCCCCCCCOS(=O)(=O)O",
"CC(C)(c1ccccc1)c1ccccc1",
"O=C1CCCCCCCCCCC1",
"Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1"
] | [
"5891247965af1de943d66a65ade948d11637bf8dad57571aa0bf6fb57d88a2bc",
"28dbdb4674859c13c3784b47d7e08b6d85fe9c2492a29a860c2c965252daeb3b",
"a39566cb84343894ccb983dde25f46f3d7650f259eb8e6d5a021c6c13864752f",
"d8c557d6cb72a83b53dcb561f96753fc3df37f126852d99d8d0529a1cb94c6b6",
"04676776074640223911f0cb7c0d401b50b... | 1.345872 |
pubchem:743015 | CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O | 489eaa036469d33c280a19afa1b22a28e1faa3ec953fa33c138bcd8a246f1ee3 | [
"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O",
"CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC",
"CCCCC(=O)N(C)C",
"CCCCCCCCCCCCOS(=O)(=O)O",
"CC(C)(c1ccccc1)c1ccccc1",
"O=C1CCCCCCCCCCC1",
"Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1"
] | [
"5891247965af1de943d66a65ade948d11637bf8dad57571aa0bf6fb57d88a2bc",
"28dbdb4674859c13c3784b47d7e08b6d85fe9c2492a29a860c2c965252daeb3b",
"a39566cb84343894ccb983dde25f46f3d7650f259eb8e6d5a021c6c13864752f",
"d8c557d6cb72a83b53dcb561f96753fc3df37f126852d99d8d0529a1cb94c6b6",
"04676776074640223911f0cb7c0d401b50b... | 1.345872 |
pubchem:743015 | CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O | 489eaa036469d33c280a19afa1b22a28e1faa3ec953fa33c138bcd8a246f1ee3 | [
"Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1",
"CC1(c2ccccc2)OC(C(=O)O)=CC1=O",
"C(=C/c1ccccc1)\\c1ccccc1",
"Cc1cc(=O)n(-c2ccccc2)[nH]1",
"CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O",
"OCC(O... | [
"6c6343ba4f5db2aa21be57218ea14f20a6897272dee70624fe6f42722af7e89e",
"ed213fb78b2c22f1b83026621af21c4771495144b9e12651b4c039939507da83",
"76fcb4d76b7334a113f3013304ecc28d4674be101928046b520f1161aa9247dc",
"f276233f63c9ef126b48cc9349aaa060a20d02813a0ea2c5e31f17b91e8128c1",
"aa4b91bf50abedf951fe4fbf94e7b5dac5f... | 1.345872 |
pubchem:743015 | COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O | b653f4c64cb6d34922f2d2eee617df2073ea428045d7423ee631b9aeb7f549c6 | [
"Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1",
"CC1(c2ccccc2)OC(C(=O)O)=CC1=O",
"C(=C/c1ccccc1)\\c1ccccc1",
"Cc1cc(=O)n(-c2ccccc2)[nH]1",
"CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O",
"OCC(O... | [
"6c6343ba4f5db2aa21be57218ea14f20a6897272dee70624fe6f42722af7e89e",
"ed213fb78b2c22f1b83026621af21c4771495144b9e12651b4c039939507da83",
"76fcb4d76b7334a113f3013304ecc28d4674be101928046b520f1161aa9247dc",
"f276233f63c9ef126b48cc9349aaa060a20d02813a0ea2c5e31f17b91e8128c1",
"aa4b91bf50abedf951fe4fbf94e7b5dac5f... | 1.343939 |
pubchem:743015 | COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O | b653f4c64cb6d34922f2d2eee617df2073ea428045d7423ee631b9aeb7f549c6 | [
"CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1",
"Cc1nc2ccccc2c(=O)o1",
"CCCCCCCCCCCCSCCOCCO",
"O=C(c1ccccc1)C(O)c1ccccc1",
"CCCCCCCCOC(C)=O",
"CCCC[n+]1ccccc1",
"O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
] | [
"0dc212550047eb8cfe5f92d1117eca89c5e173f9c35d2d89d103b41f6b4edba5",
"a86472a697f08f057e0c286f8f4bb191ee6b1d338d5e134cc596f8683534dd8d",
"4210468a2d7e0e00abde827b52a7f6b8d2064c8f14e444ad28bfd38ca2db8803",
"2effe39ff5295105d4b8022114e63586ce946e4533e501e47a2eec386f014978",
"d2b508bf7ec9e65c6eb52fa7b5e3be21cc4... | 1.343939 |
pubchem:743015 | CO/N=C(/C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F | bed7353c1242ec06a02f84a1da1a3c75cafd080f966400e24852f5569c661afd | [
"CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1",
"Cc1nc2ccccc2c(=O)o1",
"CCCCCCCCCCCCSCCOCCO",
"O=C(c1ccccc1)C(O)c1ccccc1",
"CCCCCCCCOC(C)=O",
"CCCC[n+]1ccccc1",
"O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
] | [
"0dc212550047eb8cfe5f92d1117eca89c5e173f9c35d2d89d103b41f6b4edba5",
"a86472a697f08f057e0c286f8f4bb191ee6b1d338d5e134cc596f8683534dd8d",
"4210468a2d7e0e00abde827b52a7f6b8d2064c8f14e444ad28bfd38ca2db8803",
"2effe39ff5295105d4b8022114e63586ce946e4533e501e47a2eec386f014978",
"d2b508bf7ec9e65c6eb52fa7b5e3be21cc4... | 1.343844 |
pubchem:743015 | CO/N=C(/C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F | bed7353c1242ec06a02f84a1da1a3c75cafd080f966400e24852f5569c661afd | [
"COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC",
"CCC(C)N",
"N=C(N)NC(=O)c1nc(Cl)c(N)nc1N",
"CCCCCCOCCO",
"C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
"CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC",
"COCCOCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2"
] | [
"046ec19d6564df71ccee2aa083b2702e1aacb9516d25989f91aca8e71e46fd1c",
"add8c558013de474c9c2a96404e51f17f87e3fe841daeffe8d0936ff48d11e37",
"8d18dca25de52dc1f5977b0de22e3b44a274b742bee2591b33f04b2934732ef8",
"76d70a82b0a2c41a63339edd7d276a0484b41dcbe73e729f5575df3c75ec5d24",
"a009a75deca1a66bb5cf5e940d4f0815b2d... | 1.343844 |
pubchem:743015 | COC1C(=O)C(C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)C(C)=CC(C)[C@H]1O | a3c16c008ecfc6c8b840e4e47370824e8b9e1760000b0f42dbebddc65b64400d | [
"COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC",
"CCC(C)N",
"N=C(N)NC(=O)c1nc(Cl)c(N)nc1N",
"CCCCCCOCCO",
"C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
"CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC",
"COCCOCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2"
] | [
"046ec19d6564df71ccee2aa083b2702e1aacb9516d25989f91aca8e71e46fd1c",
"add8c558013de474c9c2a96404e51f17f87e3fe841daeffe8d0936ff48d11e37",
"8d18dca25de52dc1f5977b0de22e3b44a274b742bee2591b33f04b2934732ef8",
"76d70a82b0a2c41a63339edd7d276a0484b41dcbe73e729f5575df3c75ec5d24",
"a009a75deca1a66bb5cf5e940d4f0815b2d... | 1.34249 |
pubchem:743015 | COC1C(=O)C(C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)C(C)=CC(C)[C@H]1O | a3c16c008ecfc6c8b840e4e47370824e8b9e1760000b0f42dbebddc65b64400d | [
"CC(C)NC(=O)c1ccccc1N",
"CCN(CC)CCOC[C@H]1O[C@@H](O)[C@H](OCCN(CC)CC)[C@@H](O)[C@@H]1O",
"COCC(O)CO",
"Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1",
"CCC(C)(C)C1CCC(=O)CC1",
"O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21",
"CCOc1ccc(NC(=O)CC(C)O)cc1"
] | [
"c9901107617731f98bf06f6905d66608a4c86751b5c977effbe6db21d61b80df",
"1bcab0b3792da838cae153bc75386f2266619f181475f317e989689cf2c87f1f",
"481de006022ac85a04a02ac45d48ee1dbe3d9e50ad38cc4b5a14d6582e85fb17",
"40ddc0ceadd1718edbba417ffd61af54e1127a1ce57cc52b680cb952d1f62964",
"2958cd0bfc00237d6e916b2b21dd74aa558... | 1.34249 |
pubchem:743015 | CCCC[Sn](Cl)(Cl)CCCC | d356445fd4dd712b5dfcb005dddbec096782628302bd97ca917b681f002aa4ed | [
"CC(C)NC(=O)c1ccccc1N",
"CCN(CC)CCOC[C@H]1O[C@@H](O)[C@H](OCCN(CC)CC)[C@@H](O)[C@@H]1O",
"COCC(O)CO",
"Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1",
"CCC(C)(C)C1CCC(=O)CC1",
"O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21",
"CCOc1ccc(NC(=O)CC(C)O)cc1"
] | [
"c9901107617731f98bf06f6905d66608a4c86751b5c977effbe6db21d61b80df",
"1bcab0b3792da838cae153bc75386f2266619f181475f317e989689cf2c87f1f",
"481de006022ac85a04a02ac45d48ee1dbe3d9e50ad38cc4b5a14d6582e85fb17",
"40ddc0ceadd1718edbba417ffd61af54e1127a1ce57cc52b680cb952d1f62964",
"2958cd0bfc00237d6e916b2b21dd74aa558... | 1.342149 |
pubchem:743015 | CCCC[Sn](Cl)(Cl)CCCC | d356445fd4dd712b5dfcb005dddbec096782628302bd97ca917b681f002aa4ed | [
"NC(CCC(=O)O)C(=O)O",
"OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO",
"C=CCOC(=O)CCC1CCCCC1",
"CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1",
"CNC(=O)/C=C(\\C)OP(=O)(OC)OC",
"Cc1cccc([N+](=O)[O-])c1C(=O)O",
"CC1(C)C(=O)N(Cl)C(=O)N1Br"
] | [
"145337c1b569bacc37a7c0366d8ab7ef81e39dfcb218dde67941e5d16c994d9f",
"27c4ea905893dc4ad4dbe255893c5e255a8c9026bad29d8e6acdf99e8187cafe",
"a56f71ae91b51a8441be0941dc7244e4f58d1128c777ed5c9ead5edb03892050",
"b46eb44668868ce26b55f36756d3e8a3a1975f3eb50c9a41cbae8d4941ceb1e0",
"6196aa7a323f6b82522e787a959e26f9de1... | 1.342149 |
pubchem:743015 | Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 | 58c5bb60af5aa9013889b9d2ade6013f31d881aa7791831fde1f8782166189f2 | [
"NC(CCC(=O)O)C(=O)O",
"OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO",
"C=CCOC(=O)CCC1CCCCC1",
"CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1",
"CNC(=O)/C=C(\\C)OP(=O)(OC)OC",
"Cc1cccc([N+](=O)[O-])c1C(=O)O",
"CC1(C)C(=O)N(Cl)C(=O)N1Br"
] | [
"145337c1b569bacc37a7c0366d8ab7ef81e39dfcb218dde67941e5d16c994d9f",
"27c4ea905893dc4ad4dbe255893c5e255a8c9026bad29d8e6acdf99e8187cafe",
"a56f71ae91b51a8441be0941dc7244e4f58d1128c777ed5c9ead5edb03892050",
"b46eb44668868ce26b55f36756d3e8a3a1975f3eb50c9a41cbae8d4941ceb1e0",
"6196aa7a323f6b82522e787a959e26f9de1... | 1.340861 |
pubchem:743015 | Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 | 58c5bb60af5aa9013889b9d2ade6013f31d881aa7791831fde1f8782166189f2 | [
"CCCCCCCC/C=C\\CCCCCCCCO",
"O=C(O)CSCC(=O)NC1CCSC1=O",
"Oc1oc(O)c2c1CC=CC2",
"COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]",
"CCCCCCCCCC(=O)N(C)C",
"COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC",
"CN(C)CCCNCCCN(C)C"
] | [
"8283103f32092f85587919901a585bdd29ff1f2dc589a7f45c8d24fa11266853",
"1b2804c70d5fe64f3ac0bf4438c9f0f3476d83d3fe126aefb46e50572b7674af",
"d50f62accfe5d679a326b74833072fc17b73807e28caceef4cec30bee4734c81",
"69ff4ae529a664a4f5f391f454ddb8671104270bcc360866b7753f61add52a73",
"7cc1b0b6467ed18e85e10332de4573446de... | 1.340861 |
pubchem:743015 | CCN=C1C=CC(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc21 | 080e52faba90d5a3bd9d09687b7eda8d4cc3b31377e9db82544da484e39fdc2c | [
"CCCCCCCC/C=C\\CCCCCCCCO",
"O=C(O)CSCC(=O)NC1CCSC1=O",
"Oc1oc(O)c2c1CC=CC2",
"COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]",
"CCCCCCCCCC(=O)N(C)C",
"COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC",
"CN(C)CCCNCCCN(C)C"
] | [
"8283103f32092f85587919901a585bdd29ff1f2dc589a7f45c8d24fa11266853",
"1b2804c70d5fe64f3ac0bf4438c9f0f3476d83d3fe126aefb46e50572b7674af",
"d50f62accfe5d679a326b74833072fc17b73807e28caceef4cec30bee4734c81",
"69ff4ae529a664a4f5f391f454ddb8671104270bcc360866b7753f61add52a73",
"7cc1b0b6467ed18e85e10332de4573446de... | 1.340557 |
pubchem:743015 | CCN=C1C=CC(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc21 | 080e52faba90d5a3bd9d09687b7eda8d4cc3b31377e9db82544da484e39fdc2c | [
"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",
"Nc1cccc([N+](=O)[O-])c1",
"CC(c1ncncc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F",
"CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C",
"C=CCOc1ccccc1OCC(O)CNC(C)C",
"O=S(=O)(O)c1cc(O)c(O)c(S(=O)(=O)O)c1",
"CN(C)CCC(c1ccccc1)c1ccccn1"
] | [
"12a1c31e054e03aa060799c98aca686cbab071ec025dbfc0988f0e598be59059",
"6d8a052298898b593cb24142f91ff9c05692aef23f91e266c0a0b3547188b3e7",
"f835cb357435280379a2d2d8de4c34105da64f8134009fcf87fa2ae6fa7f4d81",
"3549427f030521861c9965a9e99d2fbef41fc83f53a5c8fb0963f69b5b0af42f",
"dd1198d897bd6d737aa1bd17c31b64db0fe... | 1.340557 |
pubchem:743015 | CN(C)C(=S)SSC(=S)N(C)C | 6847e398d88bb14f12298d5d745505866749585d4fe3b53369dde1c0aa962ce0 | [
"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",
"Nc1cccc([N+](=O)[O-])c1",
"CC(c1ncncc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F",
"CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C",
"C=CCOc1ccccc1OCC(O)CNC(C)C",
"O=S(=O)(O)c1cc(O)c(O)c(S(=O)(=O)O)c1",
"CN(C)CCC(c1ccccc1)c1ccccn1"
] | [
"12a1c31e054e03aa060799c98aca686cbab071ec025dbfc0988f0e598be59059",
"6d8a052298898b593cb24142f91ff9c05692aef23f91e266c0a0b3547188b3e7",
"f835cb357435280379a2d2d8de4c34105da64f8134009fcf87fa2ae6fa7f4d81",
"3549427f030521861c9965a9e99d2fbef41fc83f53a5c8fb0963f69b5b0af42f",
"dd1198d897bd6d737aa1bd17c31b64db0fe... | 1.340481 |
pubchem:743015 | CN(C)C(=S)SSC(=S)N(C)C | 6847e398d88bb14f12298d5d745505866749585d4fe3b53369dde1c0aa962ce0 | [
"CCON=O",
"NC(=O)c1cccc([N+](=O)[O-])c1",
"CC(C)CCCO",
"COc1ccc(N=Nc2cc(C)c(N=Nc3ccc(S(=O)(=O)O)cc3)cc2OC)cc1",
"O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1",
"NCCCCCC(=O)O",
"CC(=O)CN(CC(C)=O)N=O"
] | [
"15374b45a63e23cd9cf25fb388f957387a4924ed29692e6c9b392e4973481319",
"e9d9e59253f8981cd7f171087b322196eaed35cf8310e50ed184d7b101930104",
"9a50ebc3b626ba1e25ee8a3f65d0fd8b5b59dbc93f3925f9a18a597877a1f27d",
"8a8a148fd7bc4a6eb29f5c0cd0434cc7b484ffb2faac2c4ff672e321e3034618",
"fb7774cd5b6d75911fad71d09f0edca921f... | 1.340481 |
pubchem:743015 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 5ef5fef234fae98d5d5f7dc49d339dcf88dc1b3ebdd2862c898540134c612799 | [
"CCON=O",
"NC(=O)c1cccc([N+](=O)[O-])c1",
"CC(C)CCCO",
"COc1ccc(N=Nc2cc(C)c(N=Nc3ccc(S(=O)(=O)O)cc3)cc2OC)cc1",
"O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1",
"NCCCCCC(=O)O",
"CC(=O)CN(CC(C)=O)N=O"
] | [
"15374b45a63e23cd9cf25fb388f957387a4924ed29692e6c9b392e4973481319",
"e9d9e59253f8981cd7f171087b322196eaed35cf8310e50ed184d7b101930104",
"9a50ebc3b626ba1e25ee8a3f65d0fd8b5b59dbc93f3925f9a18a597877a1f27d",
"8a8a148fd7bc4a6eb29f5c0cd0434cc7b484ffb2faac2c4ff672e321e3034618",
"fb7774cd5b6d75911fad71d09f0edca921f... | 1.340111 |
pubchem:743015 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 5ef5fef234fae98d5d5f7dc49d339dcf88dc1b3ebdd2862c898540134c612799 | [
"COC(C)OC",
"CCN(CC)C(C)C(=O)c1ccccc1",
"Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O",
"CCCCC[C@@H](O)C1C(=O)OC(C)[C@H](O)/C=C/C=C/C=C/C=C/C=C(\\C)C(O)C(O)C(O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O",
"[O-][Cl+3]([O-])([O-])O",
"Cc1ccc(C(=O)O)cc1",
"COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@... | [
"2342647c04ddcf9ac01622b2e051ee1c0a398057d752448be76c5ecb34f47594",
"285f1e249236893973e28b688a320f3752e8a4797a42f3cddca2904021b3e75d",
"deeec9e3c3d26201d0af5a7432795aa8c148a17059fbae323e2fbbcd57d3e1d7",
"634625ebc8818773df6a422962c3c985821cbe1cd514204da47d8ca6e352190d",
"dbd92c5a023a2591a65027a2677647b6da4... | 1.340111 |
pubchem:743015 | CCCCCCCCCCn1cc[n+](C)c1 | a9dc248f97ce6a2e15e297854ea1060efe313cdb47ec6af78197d69cd6bb2163 | [
"COC(C)OC",
"CCN(CC)C(C)C(=O)c1ccccc1",
"Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O",
"CCCCC[C@@H](O)C1C(=O)OC(C)[C@H](O)/C=C/C=C/C=C/C=C/C=C(\\C)C(O)C(O)C(O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O",
"[O-][Cl+3]([O-])([O-])O",
"Cc1ccc(C(=O)O)cc1",
"COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@... | [
"2342647c04ddcf9ac01622b2e051ee1c0a398057d752448be76c5ecb34f47594",
"285f1e249236893973e28b688a320f3752e8a4797a42f3cddca2904021b3e75d",
"deeec9e3c3d26201d0af5a7432795aa8c148a17059fbae323e2fbbcd57d3e1d7",
"634625ebc8818773df6a422962c3c985821cbe1cd514204da47d8ca6e352190d",
"dbd92c5a023a2591a65027a2677647b6da4... | 1.338852 |
pubchem:743015 | CCCCCCCCCCn1cc[n+](C)c1 | a9dc248f97ce6a2e15e297854ea1060efe313cdb47ec6af78197d69cd6bb2163 | [
"C=CCOC(=O)COCCC(C)C",
"C=CC1CO1",
"NCCOS(=O)(=O)O",
"CN(C)CCN(Cc1cccs1)c1ccccn1",
"c1ccc2cc3c(ccc4ccccc43)cc2c1",
"Nc1cc[nH]c(=O)n1",
"O=C(O)C(Br)CBr"
] | [
"b15dcc9db4527031d3edef03d0b8cfbe4caeae6babc2e1c6cd5b6b66f2a86280",
"e43d0924888ef4016488efbe8e83745fe4e6344e01401190323dc178e54292b8",
"7012cabe0c6e35c2057ecd07eec165bdc32058b9801ff6a14e4eedaf9b5ccb58",
"fedafadede303ee5c3387f20525547822bb3e24e59c1ae3e0f7c69fa181ae2f7",
"e9f6d6c1b30482c475072cea34a0b2f3520... | 1.338852 |
pubchem:743015 | COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC | 73cc2d2bf358a33628086620eb9378319a32bcd90abd24d5d60e757c55d38486 | [
"C=CCOC(=O)COCCC(C)C",
"C=CC1CO1",
"NCCOS(=O)(=O)O",
"CN(C)CCN(Cc1cccs1)c1ccccn1",
"c1ccc2cc3c(ccc4ccccc43)cc2c1",
"Nc1cc[nH]c(=O)n1",
"O=C(O)C(Br)CBr"
] | [
"b15dcc9db4527031d3edef03d0b8cfbe4caeae6babc2e1c6cd5b6b66f2a86280",
"e43d0924888ef4016488efbe8e83745fe4e6344e01401190323dc178e54292b8",
"7012cabe0c6e35c2057ecd07eec165bdc32058b9801ff6a14e4eedaf9b5ccb58",
"fedafadede303ee5c3387f20525547822bb3e24e59c1ae3e0f7c69fa181ae2f7",
"e9f6d6c1b30482c475072cea34a0b2f3520... | 1.338785 |
pubchem:743015 | COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC | 73cc2d2bf358a33628086620eb9378319a32bcd90abd24d5d60e757c55d38486 | [
"Nc1cccc(S(=O)(=O)O)c1",
"CN1Cc2c(N)cccc2C(c2ccccc2)C1",
"Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O",
"Nc1nc2c(Cl)cccc2s1",
"OCC(F)(F)F",
"O=C(O)CC(O)C(=O)O",
"CC(=O)OC/C=C(\\C)CCC=C(C)C"
] | [
"4584b0e8a2aba058aff80cdb268b594985063844ff3312ee9a3b829a7d163131",
"124d1e0bea5f4043f3d1479597d2b1117a75594410db29d913f67e7891398666",
"e24a724dfd7dc901778c093125d390153e9d124b170b4f7c26d9e15f89d91ce1",
"7ec810bcd8db137c27a6b8d20157e586661031e783ec3bfb7cefb8125b8de338",
"ac0976888542f6eda929bed58760f49158c... | 1.338785 |
pubchem:743015 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 0ba987d507c0a04338a4209ea11d0e630e65d5abe717157b8df42f7eaaf074bb | [
"Nc1cccc(S(=O)(=O)O)c1",
"CN1Cc2c(N)cccc2C(c2ccccc2)C1",
"Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O",
"Nc1nc2c(Cl)cccc2s1",
"OCC(F)(F)F",
"O=C(O)CC(O)C(=O)O",
"CC(=O)OC/C=C(\\C)CCC=C(C)C"
] | [
"4584b0e8a2aba058aff80cdb268b594985063844ff3312ee9a3b829a7d163131",
"124d1e0bea5f4043f3d1479597d2b1117a75594410db29d913f67e7891398666",
"e24a724dfd7dc901778c093125d390153e9d124b170b4f7c26d9e15f89d91ce1",
"7ec810bcd8db137c27a6b8d20157e586661031e783ec3bfb7cefb8125b8de338",
"ac0976888542f6eda929bed58760f49158c... | 1.338718 |
pubchem:743015 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 0ba987d507c0a04338a4209ea11d0e630e65d5abe717157b8df42f7eaaf074bb | [
"N=C(Nc1ccccc1)Nc1ccccc1",
"CC(C)CC(O)Cc1ccccc1",
"CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1",
"CNNC",
"O=[N+]([O-])c1cc[n+]([O-])cc1",
"Brc1nc2ccccc2s1",
"NC(=O)c1cnccn1"
] | [
"d1519fa7f10932f4721e5c54874e3580b9fc94f8fecb49319113d64b36e5e295",
"bdfbfc8bbe7ac32102ce81066c7b52481070aea8a823b68e97057345858ea2ce",
"8cca28b571226f5f1a0f9f1baa05a315baba23c36fce3b0aa598dcddd9341585",
"ae4027449441e211bdcdc496a5fbab8404be084daedb58e36613a4d1cb755768",
"d968af3b7b182b7e7f46a09c787e01f9df3... | 1.338718 |
pubchem:743015 | COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=CC23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 | 47680059142782c39fffc6bb9bd13a9e2586bc876f7abe9b8ff7f59c94b5c130 | [
"N=C(Nc1ccccc1)Nc1ccccc1",
"CC(C)CC(O)Cc1ccccc1",
"CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1",
"CNNC",
"O=[N+]([O-])c1cc[n+]([O-])cc1",
"Brc1nc2ccccc2s1",
"NC(=O)c1cnccn1"
] | [
"d1519fa7f10932f4721e5c54874e3580b9fc94f8fecb49319113d64b36e5e295",
"bdfbfc8bbe7ac32102ce81066c7b52481070aea8a823b68e97057345858ea2ce",
"8cca28b571226f5f1a0f9f1baa05a315baba23c36fce3b0aa598dcddd9341585",
"ae4027449441e211bdcdc496a5fbab8404be084daedb58e36613a4d1cb755768",
"d968af3b7b182b7e7f46a09c787e01f9df3... | 1.337508 |
pubchem:743015 | COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=CC23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 | 47680059142782c39fffc6bb9bd13a9e2586bc876f7abe9b8ff7f59c94b5c130 | [
"ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl",
"NC(=O)c1cn(Cc2c(F)cccc2F)nn1",
"Cc1ccc(C(C)(C)C)c(O)c1",
"Cc1ccc2cc(C)ccc2c1",
"N=C(N)S(=O)O",
"CCN(CCC#N)c1ccccc1",
"COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc... | [
"06a31bfcf704d65efb4e6dc8ae18dfe60045af73ddc0c8fe4d7b5c410261dbd6",
"d107362c2f05cc0594aff436769aa2672f5b3c754cabb198615bb918145b3f0a",
"4a98e8e386d1680f67d9d4aafcf68e7b6f7c6599243a6c25586f6243f2eb206c",
"6600419a8b56c79410104bd29f3aef376fe9587447c21cc58291e096a777cc31",
"aa1d4317fe720270f5ebd62f5c34fe88eb9... | 1.337508 |
pubchem:743015 | C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 | 127135326879e50390fe65acf4684f71011d8d6238be3f98b972f807117736a9 | [
"ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl",
"NC(=O)c1cn(Cc2c(F)cccc2F)nn1",
"Cc1ccc(C(C)(C)C)c(O)c1",
"Cc1ccc2cc(C)ccc2c1",
"N=C(N)S(=O)O",
"CCN(CCC#N)c1ccccc1",
"COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc... | [
"06a31bfcf704d65efb4e6dc8ae18dfe60045af73ddc0c8fe4d7b5c410261dbd6",
"d107362c2f05cc0594aff436769aa2672f5b3c754cabb198615bb918145b3f0a",
"4a98e8e386d1680f67d9d4aafcf68e7b6f7c6599243a6c25586f6243f2eb206c",
"6600419a8b56c79410104bd29f3aef376fe9587447c21cc58291e096a777cc31",
"aa1d4317fe720270f5ebd62f5c34fe88eb9... | 1.337508 |
pubchem:743015 | C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 | 127135326879e50390fe65acf4684f71011d8d6238be3f98b972f807117736a9 | [
"ClC/C=C\\CCl",
"Cc1ccc(O)cc1C",
"CCOC(=O)CC(C)=O",
"C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O",
"C[C@@H]([C@H](O)c1ccccc1)N(C)C",
"CCOC(=O)C=C(C)C=CC[C@@H](C)CCCC(C)C",
"Cc1ncc(COP(=O)(O)O)c(C=O)c1O"
] | [
"a11c6472f6e214d9f97e1ceb94ebbeb3cf1f410935a4961e2aed7a98c26995a2",
"efbf1bd3f7eb5b955415d07af4407aa411d316c5ba8b113a6e8d3c4c98feccb9",
"9db88c05897ab8e401a397ad8f1252c93c8ed52517c8a9677492cb5a42468099",
"8421ab1bad2f7a992d0a06963aec69e2ef26bc88fff7ff29da2d997fa72fbe54",
"c801f2c5e8739271b663985c8a4ac5e6fb4... | 1.337508 |
pubchem:743025 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | a62b9b3c459b4c1ed9b3ea422a865e7f0f019e4f961cbd9f16e0c4078084f374 | [
"O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)C1c1ccccc1",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C(c2ccccc2)N1c1ccccc1",
"Cc1ccc(C(=O)N2CCCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1",
"C[C@H]1CN(Cc2ccccc2)[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N12",
"O=C(c1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccc... | [
"8d6a892fa150f1919a63b1dfb76783c69891e0f3cf745e0573cbe7b796cef943",
"e78cb41987df40a07ac5f871136f6fe21f7d8a421cb7d3af98db9b400d37ef09",
"a21af95f45587a70ffcea7e29abe5abc97d166571610fac6b3a6288eef699c2e",
"3851b32d511cab013a15a3249da175d440ebf965caf5ec0b38f392780c3d23f6",
"003bb081ba2adcd483ecb12c88def30bc61... | 1 |
pubchem:743025 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | a62b9b3c459b4c1ed9b3ea422a865e7f0f019e4f961cbd9f16e0c4078084f374 | [
"O=C(c1ccccc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Clc1ccc(C2(c3ccccc3)CCCN2)cc1",
"O=C(c1ccc(OCc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N(Cc3ccc(F)cc3)CCN12",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
... | [
"773c3cd9235854a4baf0a6fe3823fc27c1cd66bd9d6e5eca89c13133c4988548",
"19ca6f9b09208334c19944886e962375fab0d598cd2e7d3a5caa67f7588e8522",
"baa4676a4be36a64bc925e05a619a46e48df839fbaed403d9a71cdc59f8046c3",
"17897e0ad99ad41974f036410c93dbfcfe2d723023eadb225fdee9cd80e683ca",
"93d5c4173f0ccce7195aa4fe9965fc3a5e6... | 1 |
pubchem:743025 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 82fff1ad426efcf05621743a3c928540abc88e8d33df55e91d055f248d7a389b | [
"O=C(c1ccccc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Clc1ccc(C2(c3ccccc3)CCCN2)cc1",
"O=C(c1ccc(OCc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N(Cc3ccc(F)cc3)CCN12",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
... | [
"773c3cd9235854a4baf0a6fe3823fc27c1cd66bd9d6e5eca89c13133c4988548",
"19ca6f9b09208334c19944886e962375fab0d598cd2e7d3a5caa67f7588e8522",
"baa4676a4be36a64bc925e05a619a46e48df839fbaed403d9a71cdc59f8046c3",
"17897e0ad99ad41974f036410c93dbfcfe2d723023eadb225fdee9cd80e683ca",
"93d5c4173f0ccce7195aa4fe9965fc3a5e6... | 1 |
pubchem:743025 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 82fff1ad426efcf05621743a3c928540abc88e8d33df55e91d055f248d7a389b | [
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1",
"O=C(c1ccco1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)cc1Cl)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(Nc1ccc(Cl)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(Nc1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)... | [
"1e94e6c1efc5c77d01e63488aca3f5cdfd981e84ef77aaca8685d9b28028050b",
"49806014bd9cd522dadecb4c4d5cdbae87bf46cce403236d8ee673eda661ec10",
"21ccbacbc12a47c2b93e7e932b7c026245998a2a7237ac33174194469c253ddc",
"15bdc6b25917bc9c162c3548bb19216de72df2167010e5ad5a9637f4cc1d2163",
"a142d3cdffe99539c7da77292aa0010c7b5... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1 | d1092f148c090f106ea6fc703e035b72e1671ae15e881df65ea1abb80cae29ad | [
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1",
"O=C(c1ccco1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)cc1Cl)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(Nc1ccc(Cl)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(Nc1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)... | [
"1e94e6c1efc5c77d01e63488aca3f5cdfd981e84ef77aaca8685d9b28028050b",
"49806014bd9cd522dadecb4c4d5cdbae87bf46cce403236d8ee673eda661ec10",
"21ccbacbc12a47c2b93e7e932b7c026245998a2a7237ac33174194469c253ddc",
"15bdc6b25917bc9c162c3548bb19216de72df2167010e5ad5a9637f4cc1d2163",
"a142d3cdffe99539c7da77292aa0010c7b5... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1 | d1092f148c090f106ea6fc703e035b72e1671ae15e881df65ea1abb80cae29ad | [
"O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)cc1",
"O=C(c1cccc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"CO... | [
"61dba5f17725d68765a4f86bb5c6f52c7c35e5f694f55152dac9edc7269c4421",
"4ec462d78305fec277a7d27966be255886cef03906e879f32edc9f625311bbc5",
"5b5c806c3056aa83ba6a918fc717f235676618061f8a5d2dfbaa3910e5d2c7d4",
"bab9b0667f7cbb9589b1af6d790e591f3b22977286df224ff3909c54d747f438",
"68cf2be87dd62ac69a639a43f6297bee867... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | d7ce195d750b047fcca659d5419ce158e41896b6ec4d5b2af6cb86b961aba9f2 | [
"O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)cc1",
"O=C(c1cccc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"CO... | [
"61dba5f17725d68765a4f86bb5c6f52c7c35e5f694f55152dac9edc7269c4421",
"4ec462d78305fec277a7d27966be255886cef03906e879f32edc9f625311bbc5",
"5b5c806c3056aa83ba6a918fc717f235676618061f8a5d2dfbaa3910e5d2c7d4",
"bab9b0667f7cbb9589b1af6d790e591f3b22977286df224ff3909c54d747f438",
"68cf2be87dd62ac69a639a43f6297bee867... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | d7ce195d750b047fcca659d5419ce158e41896b6ec4d5b2af6cb86b961aba9f2 | [
"O=C(c1ccccn1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=S)Nc1cccc(Cl)c1",
"CN(C)c1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1",
"O=C1c2ccccc2C2(c3ccc(F)cc3)NCCN12",
"O... | [
"5c6752f49952d12f83fe2674f15900ae3741c11a4dd7effba0796792d2108a5d",
"048b701d3530f6226405496ef9d76fad10045230c4c85fdcb8faccb86dcd654a",
"66373d98017ab0df82636e81ac74b338be70547449f8873d1aa306ca327e2a2b",
"8a8536fe5d4a16798317e55ca2cd70346172c9827bcec3b7dfb875deb7c38764",
"ba7c37f5f8ce88502083343a59fed0b32ed... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccc2)cc1 | df0fd75799cbefeefc65c6ddf6e0fbc3cd310b427568b60b6e32dcc0af575a7f | [
"O=C(c1ccccn1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=S)Nc1cccc(Cl)c1",
"CN(C)c1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1",
"O=C1c2ccccc2C2(c3ccc(F)cc3)NCCN12",
"O... | [
"5c6752f49952d12f83fe2674f15900ae3741c11a4dd7effba0796792d2108a5d",
"048b701d3530f6226405496ef9d76fad10045230c4c85fdcb8faccb86dcd654a",
"66373d98017ab0df82636e81ac74b338be70547449f8873d1aa306ca327e2a2b",
"8a8536fe5d4a16798317e55ca2cd70346172c9827bcec3b7dfb875deb7c38764",
"ba7c37f5f8ce88502083343a59fed0b32ed... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccc2)cc1 | df0fd75799cbefeefc65c6ddf6e0fbc3cd310b427568b60b6e32dcc0af575a7f | [
"O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2C1c1ccc(Cl)cc1",
"CSc1cccc(NC(=S)N2CCN3C(=O)c4ccccc4C32c2ccccc2)c1",
"COc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(O)cc1",
"Cc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"CSc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"O=C1c2ncccc2C2(c3ccc... | [
"16ce30add4bd2e55ac181c40e8f4f4585d84aaf57e0a67a347dd54f941fa7b2a",
"feb38b5d80e00a2d793c9266bb1eee13052352c0a17d046b4277da9f347f4fc9",
"fac1e64bb1d001ea635a3646fee5492a2bd9a1470e0db0559802ff146f8f5368",
"eeb3446fb8b63c8edac181cb0728580125bbe6a0d2bd1831a733509cb2a2931b",
"f1b2f555dea37d0fafb7da61e67fc00e26d... | 1 |
pubchem:743025 | O=C(c1ccc(OC(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 53a412ec8ca44533595aa70f415083dff1919a7f34b2a7dd54e8066dbe9e12a4 | [
"O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2C1c1ccc(Cl)cc1",
"CSc1cccc(NC(=S)N2CCN3C(=O)c4ccccc4C32c2ccccc2)c1",
"COc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(O)cc1",
"Cc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"CSc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"O=C1c2ncccc2C2(c3ccc... | [
"16ce30add4bd2e55ac181c40e8f4f4585d84aaf57e0a67a347dd54f941fa7b2a",
"feb38b5d80e00a2d793c9266bb1eee13052352c0a17d046b4277da9f347f4fc9",
"fac1e64bb1d001ea635a3646fee5492a2bd9a1470e0db0559802ff146f8f5368",
"eeb3446fb8b63c8edac181cb0728580125bbe6a0d2bd1831a733509cb2a2931b",
"f1b2f555dea37d0fafb7da61e67fc00e26d... | 1 |
pubchem:743025 | O=C(c1ccc(OC(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 53a412ec8ca44533595aa70f415083dff1919a7f34b2a7dd54e8066dbe9e12a4 | [
"CS(=O)(=O)c1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"CN(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1",
"CCCCCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1cccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)c1",
"O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
... | [
"e0d81f5f3cf80b01a8258969ca68f241253a1f4e2cdd000af3986912923e168a",
"4d38dda4a204097282b1df28399ff7f804e44f4d04a9b98bfe3320cc4000772c",
"72dc2fcfedd7c22bf10846c0c7bbcbb653ee468ca59c959a7b847bfb3ed976b6",
"357e3453edbe44e20a965d51d4f566a66c677703525090a0201426b36d3d98f1",
"ee881f84b96f5fc447b58c5d74dc9adff86... | 1 |
pubchem:743025 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 2e6970e1721837399a1e4ba7a4fa1f5470027fba0362ba4e981866e49eacc1c4 | [
"CS(=O)(=O)c1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"CN(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1",
"CCCCCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1cccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)c1",
"O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
... | [
"e0d81f5f3cf80b01a8258969ca68f241253a1f4e2cdd000af3986912923e168a",
"4d38dda4a204097282b1df28399ff7f804e44f4d04a9b98bfe3320cc4000772c",
"72dc2fcfedd7c22bf10846c0c7bbcbb653ee468ca59c959a7b847bfb3ed976b6",
"357e3453edbe44e20a965d51d4f566a66c677703525090a0201426b36d3d98f1",
"ee881f84b96f5fc447b58c5d74dc9adff86... | 1 |
pubchem:743025 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 2e6970e1721837399a1e4ba7a4fa1f5470027fba0362ba4e981866e49eacc1c4 | [
"O=C(c1ccc(C(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)c1c(F)cccc1F",
"O=C(c1ccc(-c2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(Nc1ccc(Cl)cc1)N1CCN2C(=O)c3cc... | [
"d6f0f6ec02699ef1ce7b0054f7ebf15a055600d78e71b5c8acbb7d60d50a2728",
"205adcadb27e06bfe90a5b275ebf3aba53a7f3140574867d00c3ad96a1740acb",
"f47378f69d3f11a4752619e08d1074d5c099a7b6e6607adea11a5a6ca36f41d9",
"f1f18b2c1e71cd9a94a4f946071f2a10b9c80f4ce1cd9fc84d9a336ba1dc2011",
"03748449cf463a89bd5356c626d4082e35f... | 1 |
pubchem:743025 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(C)cc2)cc1 | bfaf753b505cbd4404b2d80021132fdca2ec7e9b8b259b087c1b5bd8b0a76e40 | [
"O=C(c1ccc(C(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)c1c(F)cccc1F",
"O=C(c1ccc(-c2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(Nc1ccc(Cl)cc1)N1CCN2C(=O)c3cc... | [
"d6f0f6ec02699ef1ce7b0054f7ebf15a055600d78e71b5c8acbb7d60d50a2728",
"205adcadb27e06bfe90a5b275ebf3aba53a7f3140574867d00c3ad96a1740acb",
"f47378f69d3f11a4752619e08d1074d5c099a7b6e6607adea11a5a6ca36f41d9",
"f1f18b2c1e71cd9a94a4f946071f2a10b9c80f4ce1cd9fc84d9a336ba1dc2011",
"03748449cf463a89bd5356c626d4082e35f... | 1 |
pubchem:743025 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(C)cc2)cc1 | bfaf753b505cbd4404b2d80021132fdca2ec7e9b8b259b087c1b5bd8b0a76e40 | [
"O=C1c2ccccc2C2(c3ccccc3)Nc3ccccc3N12",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1F",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccn2)cc1",
"O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCCCN12",
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1",
"O=C(c1cc(F)... | [
"aa8111140ada05d64835b34668059d36721ca1bdd663deb97491ae1ac47b3807",
"9efeb81a5b41a504bd018f7ff29bd3ea4764c5c4285d29865e8e4b6e2c201d7e",
"da39f162770c9cfca5479d7c3ae51096e1151db4c8aba5396f0f85c8f006c5dc",
"820dcb63787ee1421150c367a2b428e14909ab52ebb308a6130e5a53e8648c89",
"f5915b262a63e18f772690bc6493250a34b... | 1 |
pubchem:743025 | O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | f4cc231d80927b2f3eaadd6a6bc57392251dad2c31a068c70c7675482e51d177 | [
"O=C1c2ccccc2C2(c3ccccc3)Nc3ccccc3N12",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1F",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccn2)cc1",
"O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCCCN12",
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1",
"O=C(c1cc(F)... | [
"aa8111140ada05d64835b34668059d36721ca1bdd663deb97491ae1ac47b3807",
"9efeb81a5b41a504bd018f7ff29bd3ea4764c5c4285d29865e8e4b6e2c201d7e",
"da39f162770c9cfca5479d7c3ae51096e1151db4c8aba5396f0f85c8f006c5dc",
"820dcb63787ee1421150c367a2b428e14909ab52ebb308a6130e5a53e8648c89",
"f5915b262a63e18f772690bc6493250a34b... | 1 |
pubchem:743025 | O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | f4cc231d80927b2f3eaadd6a6bc57392251dad2c31a068c70c7675482e51d177 | [
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccc2c(c1)CCO2)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"COc1ccccc1NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN2C(=O... | [
"de07ea39bd579c0bcd0c8fbb483eefa9bb3dae1d13f9c2a8f6018a5d8c3e42c9",
"16b94259177ee906295ce01840ff95d9e25a5b6412510ec64c698f60c283217a",
"0ea2392fa97718bc3de2e42315cff4ec72936c2c94b3da967e1901a9966959da",
"27295f01aead37b60472ab50fa5ba0668068f41cb9c98dc2d2004e57cef18e81",
"b628b3a6bd7842940a46a313e80933b23f0... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(C(F)(F)F)c2)cc1 | 826c5571a69ffed6257a8834ed96b789c7b3bb31d9f5dd8b45c7e878ae7eab7e | [
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccc2c(c1)CCO2)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"COc1ccccc1NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN2C(=O... | [
"de07ea39bd579c0bcd0c8fbb483eefa9bb3dae1d13f9c2a8f6018a5d8c3e42c9",
"16b94259177ee906295ce01840ff95d9e25a5b6412510ec64c698f60c283217a",
"0ea2392fa97718bc3de2e42315cff4ec72936c2c94b3da967e1901a9966959da",
"27295f01aead37b60472ab50fa5ba0668068f41cb9c98dc2d2004e57cef18e81",
"b628b3a6bd7842940a46a313e80933b23f0... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(C(F)(F)F)c2)cc1 | 826c5571a69ffed6257a8834ed96b789c7b3bb31d9f5dd8b45c7e878ae7eab7e | [
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cccs1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"N#CC1(c2ccccc2)CCCN1C(=O)c1ccccc1",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C... | [
"d5344d00dd55544a1f961f40ba11cb410b436b95eec31b95088e7f17d0551b07",
"dca5c74d50d794b5969572378dd776d466e927f51e6d73b22a748e2b1adb2fa3",
"df8e9dc6cdb968e3a6000437e90cd0b39ee973bec999bc70becaf966969e5f10",
"dab1344ebaeb25ac2053f1745818796d4ec85fcaaf1b07b1123e0041de57f952",
"e0b6656e1f4f7f75a7eabcfc3eec91bebbf... | 1 |
pubchem:743025 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 622067c6419b372242aa10988c7dc239065a4292f12130c44f55bf7a709988ed | [
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cccs1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"N#CC1(c2ccccc2)CCCN1C(=O)c1ccccc1",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C... | [
"d5344d00dd55544a1f961f40ba11cb410b436b95eec31b95088e7f17d0551b07",
"dca5c74d50d794b5969572378dd776d466e927f51e6d73b22a748e2b1adb2fa3",
"df8e9dc6cdb968e3a6000437e90cd0b39ee973bec999bc70becaf966969e5f10",
"dab1344ebaeb25ac2053f1745818796d4ec85fcaaf1b07b1123e0041de57f952",
"e0b6656e1f4f7f75a7eabcfc3eec91bebbf... | 1 |
pubchem:743025 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 622067c6419b372242aa10988c7dc239065a4292f12130c44f55bf7a709988ed | [
"CN(C)c1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1",
"C=CCN1C[C@H](C)N2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1",
"O=C(c1ccc(F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(Nc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(F)cc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)... | [
"0048a512cb236c332873fb19e0e4383dbd9cc42c929422bdf74f796b59d41ec8",
"d3fa8400276bbeb132cf1e1b3dc70e6eff6d3daf70d6b4051a1007ed406adf79",
"a2975a54e7e8377a91899f5c9e5d33f97627d1ad62007e2bb3e7a9df0af08909",
"b56cf17e2ddb0d91a08f4a70ee9a0efee142e15d1fb0b0a50b16d4738fa067aa",
"7f65f083d6f515cdb29087616e3782a362c... | 1 |
pubchem:743025 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccc2C)cc1 | 147eae4456f70c5102bb1d1ef7ea0a97e71ae4a3d30c015c6db220336180dc6e | [
"CN(C)c1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1",
"C=CCN1C[C@H](C)N2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1",
"O=C(c1ccc(F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(Nc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(F)cc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)... | [
"0048a512cb236c332873fb19e0e4383dbd9cc42c929422bdf74f796b59d41ec8",
"d3fa8400276bbeb132cf1e1b3dc70e6eff6d3daf70d6b4051a1007ed406adf79",
"a2975a54e7e8377a91899f5c9e5d33f97627d1ad62007e2bb3e7a9df0af08909",
"b56cf17e2ddb0d91a08f4a70ee9a0efee142e15d1fb0b0a50b16d4738fa067aa",
"7f65f083d6f515cdb29087616e3782a362c... | 1 |
pubchem:743025 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccc2C)cc1 | 147eae4456f70c5102bb1d1ef7ea0a97e71ae4a3d30c015c6db220336180dc6e | [
"O=C(c1ccccc1)N1CCCC1c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)NCCN12",
"O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCCN12",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCCN(C(... | [
"12aad4ef044d7dd072d93a5b3ac2c1b0e2c4ac27df7cc27d490f4b98f1e71cfe",
"252bbaf06b9c16edb9aaf6a8a046eb9a466fb592ea7ecc277e69ffa9b6d63ec2",
"7c45da049ba245069fe2341d1a767c6d5e0a6ed7a205077e36395b0569662e07",
"d772ae51cb57f114bf176a1de1e320b368b0bd405266b7405851a6d8c830c7ca",
"c9c92a1736d269fa178e8f41d5b778b5999... | 1 |
pubchem:743025 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 8ddd0f779a5f1d3b87d5a35b781ec9113b8e950a111a1838046860130c62338d | [
"O=C(c1ccccc1)N1CCCC1c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)NCCN12",
"O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCCN12",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCCN(C(... | [
"12aad4ef044d7dd072d93a5b3ac2c1b0e2c4ac27df7cc27d490f4b98f1e71cfe",
"252bbaf06b9c16edb9aaf6a8a046eb9a466fb592ea7ecc277e69ffa9b6d63ec2",
"7c45da049ba245069fe2341d1a767c6d5e0a6ed7a205077e36395b0569662e07",
"d772ae51cb57f114bf176a1de1e320b368b0bd405266b7405851a6d8c830c7ca",
"c9c92a1736d269fa178e8f41d5b778b5999... | 1 |
pubchem:743025 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 8ddd0f779a5f1d3b87d5a35b781ec9113b8e950a111a1838046860130c62338d | [
"O=C(c1ccccc1C(F)(F)F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccc2)cc1",
"O=C(NCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1",
"O=C(c1cc(F)ccc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)C1CCCC1",
"O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C... | [
"796cb549624cef57439a90d71da337e0a8b759c66195ac0db7944787d5f09d87",
"19b7466911da17edb045e147be20820a6113fdde3160fdbcacfa2ee3141d3c97",
"6f95bf5bebbcc5f4d90a39297d1fb39d9e33b883f433ad46c0e7a32553d31f8a",
"caeb20c2f30542a2161868cca13b771ee5c843b83c2c40e7790fd0878ec6cf6a",
"89dea74d39f03c213b6a3a5bee0082ad13c... | 1 |
pubchem:743025 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | bab39a55ff43982d597985fec79962c3083017fe5280cd82448b688557f9bab0 | [
"O=C(c1ccccc1C(F)(F)F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccc2)cc1",
"O=C(NCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1",
"O=C(c1cc(F)ccc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)C1CCCC1",
"O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C... | [
"796cb549624cef57439a90d71da337e0a8b759c66195ac0db7944787d5f09d87",
"19b7466911da17edb045e147be20820a6113fdde3160fdbcacfa2ee3141d3c97",
"6f95bf5bebbcc5f4d90a39297d1fb39d9e33b883f433ad46c0e7a32553d31f8a",
"caeb20c2f30542a2161868cca13b771ee5c843b83c2c40e7790fd0878ec6cf6a",
"89dea74d39f03c213b6a3a5bee0082ad13c... | 1 |
pubchem:743025 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | bab39a55ff43982d597985fec79962c3083017fe5280cd82448b688557f9bab0 | [
"O=C1CCC2(c3ccccc3)Nc3ccccc3N12",
"COc1cc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc(OC)c1OC",
"O=C(c1ccc(F)cc1)N1CCCC1c1ccccc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cc(F)cc(F)c1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"Cc1ccc(S(=O... | [
"adabdf01ed4c14b45e5f40972825f145c65b07484851e5d8c009cadd42577657",
"b60c4cf3fb60c634316cdc6e166471e502c50ddee9188b581b75c42c8caca286",
"abc208f25e4bd8b237c3b933d2bb1c4813f965d6d7da71345381917d154ee2cd",
"cfe2a6433189a6a835d4421f98f4a100165f3986958034234deb5fa2c4d1f4e2",
"691a76422e7670f9fc9ee1fd6087fd982fc... | 1 |
pubchem:743025 | O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | c92695b83f60eada722b5d73383c0251b5d21c6a734a6d695e8aae76a7e8c656 | [
"O=C1CCC2(c3ccccc3)Nc3ccccc3N12",
"COc1cc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc(OC)c1OC",
"O=C(c1ccc(F)cc1)N1CCCC1c1ccccc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cc(F)cc(F)c1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"Cc1ccc(S(=O... | [
"adabdf01ed4c14b45e5f40972825f145c65b07484851e5d8c009cadd42577657",
"b60c4cf3fb60c634316cdc6e166471e502c50ddee9188b581b75c42c8caca286",
"abc208f25e4bd8b237c3b933d2bb1c4813f965d6d7da71345381917d154ee2cd",
"cfe2a6433189a6a835d4421f98f4a100165f3986958034234deb5fa2c4d1f4e2",
"691a76422e7670f9fc9ee1fd6087fd982fc... | 1 |
pubchem:743025 | O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | c92695b83f60eada722b5d73383c0251b5d21c6a734a6d695e8aae76a7e8c656 | [
"CC(C)(C)C(=O)N1CCN2C(=O)c3ccccc3C21c1ccccc1",
"O=C(c1ccccc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cccc(C(F)(F)F)c1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)C1c1ccccc1",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C(c2ccccc2)N1c1ccccc1",
"... | [
"b37ed59269a4ec75f7c69a46a98b4dfb67c2f5bcbf21affef64c31fdc71f3848",
"6fe6436f1896ed9a034c8cdfab7c1c144533fc904fc3729da474472906be6e22",
"dcf8126dff7aeff681e9259caa50e07fd0814e389f77a049056280067aa75bb1",
"8d6a892fa150f1919a63b1dfb76783c69891e0f3cf745e0573cbe7b796cef943",
"e78cb41987df40a07ac5f871136f6fe21f7... | 1 |
pubchem:743025 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | d7eec669e887ca387193abf18b519eb4a97e1aa01410394103312a70d5239757 | [
"CC(C)(C)C(=O)N1CCN2C(=O)c3ccccc3C21c1ccccc1",
"O=C(c1ccccc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cccc(C(F)(F)F)c1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)C1c1ccccc1",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C(c2ccccc2)N1c1ccccc1",
"... | [
"b37ed59269a4ec75f7c69a46a98b4dfb67c2f5bcbf21affef64c31fdc71f3848",
"6fe6436f1896ed9a034c8cdfab7c1c144533fc904fc3729da474472906be6e22",
"dcf8126dff7aeff681e9259caa50e07fd0814e389f77a049056280067aa75bb1",
"8d6a892fa150f1919a63b1dfb76783c69891e0f3cf745e0573cbe7b796cef943",
"e78cb41987df40a07ac5f871136f6fe21f7... | 1 |
pubchem:743025 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | d7eec669e887ca387193abf18b519eb4a97e1aa01410394103312a70d5239757 | [
"C[C@H]1CN(Cc2ccccc2)[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N12",
"O=C(c1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"O=C(c1ccccc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Clc1ccc(C2(c3ccccc3)CCCN2)cc1",
"O=C(c1ccc(OCc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C... | [
"003bb081ba2adcd483ecb12c88def30bc61a3bbf09c4138a049cd11ea89ae4ce",
"401ee4b75f4453fb53816a96bb672cd84e5ba9f38de5206d3ad5513fb7deb020",
"b1e401ed7b716d22fd16d580e870cc60b77519f368488ee4ee42f205d51d1e06",
"773c3cd9235854a4baf0a6fe3823fc27c1cd66bd9d6e5eca89c13133c4988548",
"19ca6f9b09208334c19944886e962375fab... | 1 |
pubchem:743025 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 387a0ce7590856ab1d81d295d08f789894e887c6fd31b8e4ef17d7b2fc83f51e | [
"C[C@H]1CN(Cc2ccccc2)[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N12",
"O=C(c1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"O=C(c1ccccc1F)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Clc1ccc(C2(c3ccccc3)CCCN2)cc1",
"O=C(c1ccc(OCc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C... | [
"003bb081ba2adcd483ecb12c88def30bc61a3bbf09c4138a049cd11ea89ae4ce",
"401ee4b75f4453fb53816a96bb672cd84e5ba9f38de5206d3ad5513fb7deb020",
"b1e401ed7b716d22fd16d580e870cc60b77519f368488ee4ee42f205d51d1e06",
"773c3cd9235854a4baf0a6fe3823fc27c1cd66bd9d6e5eca89c13133c4988548",
"19ca6f9b09208334c19944886e962375fab... | 1 |
pubchem:743025 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 387a0ce7590856ab1d81d295d08f789894e887c6fd31b8e4ef17d7b2fc83f51e | [
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1",
"O=C(c1ccco1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)cc1Cl)N1CCN2C(=O)c3cccc... | [
"93d5c4173f0ccce7195aa4fe9965fc3a5e67d5253e5763f9b5ac6da06ae762b6",
"0a94dd330f933501ba6d5029ff8c1397e75a7ff9482e083553e4c068b4fcda7c",
"91b722d10ebf49dbd1e414404167e9258518a1b70877eb460958379661611f62",
"1e94e6c1efc5c77d01e63488aca3f5cdfd981e84ef77aaca8685d9b28028050b",
"49806014bd9cd522dadecb4c4d5cdbae87b... | 1 |
pubchem:743025 | Cc1ccccc1C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 8a429df404bb39a260f0be5c6476efcd1abc16bffc76713bc3f96b6c1da1a1d7 | [
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1",
"O=C(c1ccco1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)cc1Cl)N1CCN2C(=O)c3cccc... | [
"93d5c4173f0ccce7195aa4fe9965fc3a5e67d5253e5763f9b5ac6da06ae762b6",
"0a94dd330f933501ba6d5029ff8c1397e75a7ff9482e083553e4c068b4fcda7c",
"91b722d10ebf49dbd1e414404167e9258518a1b70877eb460958379661611f62",
"1e94e6c1efc5c77d01e63488aca3f5cdfd981e84ef77aaca8685d9b28028050b",
"49806014bd9cd522dadecb4c4d5cdbae87b... | 1 |
pubchem:743025 | Cc1ccccc1C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 8a429df404bb39a260f0be5c6476efcd1abc16bffc76713bc3f96b6c1da1a1d7 | [
"O=C(Nc1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)C1CC1",
"O=C(c1ccccc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)cc1",
"O=C(c1cccc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=... | [
"a142d3cdffe99539c7da77292aa0010c7b5c221b073e692c9729e42bb291afd5",
"aba42b68e11db836765481d8853699a1bfd44f4fd4a57312c2b7f145980523a0",
"118d7a1de78d8085f5bd48cc0da97cf3ce736a11442834da3862834525ba4663",
"61dba5f17725d68765a4f86bb5c6f52c7c35e5f694f55152dac9edc7269c4421",
"4ec462d78305fec277a7d27966be255886c... | 1 |
pubchem:743025 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 8ad8343424c757cc9fa56826aa88cbbfafd257488219ecc36dab2dc10ef15443 | [
"O=C(Nc1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)C1CC1",
"O=C(c1ccccc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1cccnc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"Cc1ccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)cc1",
"O=C(c1cccc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=... | [
"a142d3cdffe99539c7da77292aa0010c7b5c221b073e692c9729e42bb291afd5",
"aba42b68e11db836765481d8853699a1bfd44f4fd4a57312c2b7f145980523a0",
"118d7a1de78d8085f5bd48cc0da97cf3ce736a11442834da3862834525ba4663",
"61dba5f17725d68765a4f86bb5c6f52c7c35e5f694f55152dac9edc7269c4421",
"4ec462d78305fec277a7d27966be255886c... | 1 |
pubchem:743025 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 8ad8343424c757cc9fa56826aa88cbbfafd257488219ecc36dab2dc10ef15443 | [
"O=C(c1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(C)c2)cc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=S)Nc1cccc(... | [
"68cf2be87dd62ac69a639a43f6297bee8673a890b01ea3204764137db8998f7c",
"120d428ffc55a575404553699ae61f51550eabb6a84cb5fc540ad2aeecc48c2b",
"f3d7b88353eee85cd4d2926e0164915036344ae8f52f344f24a0f6c7bc0c0134",
"5c6752f49952d12f83fe2674f15900ae3741c11a4dd7effba0796792d2108a5d",
"048b701d3530f6226405496ef9d76fad100... | 1 |
pubchem:743025 | O=C(c1ccc(Cl)c(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 3a3f8aaadd805b7e945147c1998db8068c6e253f6fd9e2872532917270747727 | [
"O=C(c1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cccc(C)c2)cc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1ccc(Oc2ccccc2)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=S)Nc1cccc(... | [
"68cf2be87dd62ac69a639a43f6297bee8673a890b01ea3204764137db8998f7c",
"120d428ffc55a575404553699ae61f51550eabb6a84cb5fc540ad2aeecc48c2b",
"f3d7b88353eee85cd4d2926e0164915036344ae8f52f344f24a0f6c7bc0c0134",
"5c6752f49952d12f83fe2674f15900ae3741c11a4dd7effba0796792d2108a5d",
"048b701d3530f6226405496ef9d76fad100... | 1 |
pubchem:743025 | O=C(c1ccc(Cl)c(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 3a3f8aaadd805b7e945147c1998db8068c6e253f6fd9e2872532917270747727 | [
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1",
"O=C1c2ccccc2C2(c3ccc(F)cc3)NCCN12",
"O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2C1c1ccc(Cl)cc1",
"CSc1cccc(NC(=S)N2CCN3C(=O)c4ccccc4C32c2ccccc2)c1",
"COc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"O=C(c1ccc(F... | [
"ba7c37f5f8ce88502083343a59fed0b32eda2208d7a5d35e1ca2285cad94d599",
"5b39af5db498ac97b16b8ccc3335ac5ffbabde3fa6e2913d8daf1bff86b7715a",
"c0c1a438e72ea84b4152616913715b815876ea748724a164ed0fbb449660487d",
"16ce30add4bd2e55ac181c40e8f4f4585d84aaf57e0a67a347dd54f941fa7b2a",
"feb38b5d80e00a2d793c9266bb1eee13052... | 1 |
pubchem:743025 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 7a37843d34ad06dc2009dc7f0c9f476c164079e01804d2d650cf54781864bde1 | [
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1",
"O=C1c2ccccc2C2(c3ccc(F)cc3)NCCN12",
"O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2C1c1ccc(Cl)cc1",
"CSc1cccc(NC(=S)N2CCN3C(=O)c4ccccc4C32c2ccccc2)c1",
"COc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"O=C(c1ccc(F... | [
"ba7c37f5f8ce88502083343a59fed0b32eda2208d7a5d35e1ca2285cad94d599",
"5b39af5db498ac97b16b8ccc3335ac5ffbabde3fa6e2913d8daf1bff86b7715a",
"c0c1a438e72ea84b4152616913715b815876ea748724a164ed0fbb449660487d",
"16ce30add4bd2e55ac181c40e8f4f4585d84aaf57e0a67a347dd54f941fa7b2a",
"feb38b5d80e00a2d793c9266bb1eee13052... | 1 |
pubchem:743025 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 7a37843d34ad06dc2009dc7f0c9f476c164079e01804d2d650cf54781864bde1 | [
"Cc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"CSc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"O=C1c2ncccc2C2(c3ccccc3)NCCN12",
"CS(=O)(=O)c1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"CN(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1",
"CCCCCC(=O)N1CCN2C(=O)c3cc... | [
"f1b2f555dea37d0fafb7da61e67fc00e26d6fd5c983ad8b2354c45744e0d2d74",
"869b03318b42727178ca936373e4a8a814ccac78362b1b5b47d1ee665a8f1039",
"8a5eca89eaa29d7c84237b09d0ae838345a23c6970a5a30141bd3f5299366fe0",
"e0d81f5f3cf80b01a8258969ca68f241253a1f4e2cdd000af3986912923e168a",
"4d38dda4a204097282b1df28399ff7f804e... | 1 |
pubchem:743025 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1 | 473ef036335c8d445a78ebca67e5a9ca5c38c3a0996c6c51b041b3e0ca237ecd | [
"Cc1ccc(C23NCCN2C(=O)c2ccccc23)cc1",
"CSc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"O=C1c2ncccc2C2(c3ccccc3)NCCN12",
"CS(=O)(=O)c1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)cc1",
"CN(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1",
"CCCCCC(=O)N1CCN2C(=O)c3cc... | [
"f1b2f555dea37d0fafb7da61e67fc00e26d6fd5c983ad8b2354c45744e0d2d74",
"869b03318b42727178ca936373e4a8a814ccac78362b1b5b47d1ee665a8f1039",
"8a5eca89eaa29d7c84237b09d0ae838345a23c6970a5a30141bd3f5299366fe0",
"e0d81f5f3cf80b01a8258969ca68f241253a1f4e2cdd000af3986912923e168a",
"4d38dda4a204097282b1df28399ff7f804e... | 1 |
pubchem:743025 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1 | 473ef036335c8d445a78ebca67e5a9ca5c38c3a0996c6c51b041b3e0ca237ecd | [
"Cc1cccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)c1",
"O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"Cc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccccc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)c1c(F)cccc... | [
"ee881f84b96f5fc447b58c5d74dc9adff86f459e7520852ef7dcb1a599a5a13d",
"9810694a3dd674d8e3ab5ea398b63767c53fd5d373b6b6e91e61c5fd4fbb28cd",
"02b8717031dd2441e9026f3581a057cd64a62ad5f297250cb666b2656572d0c3",
"d6f0f6ec02699ef1ce7b0054f7ebf15a055600d78e71b5c8acbb7d60d50a2728",
"205adcadb27e06bfe90a5b275ebf3aba53a... | 1 |
pubchem:743025 | O=C(c1ccc(Cl)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccccc1 | bd5cbbb6d16472979cfa3c6dd14d4c98f478f97ac2f3774b1c9224df2c554b05 | [
"Cc1cccc(C(=O)N2CCN3C(=O)c4ncccc4C23c2ccccc2)c1",
"O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"Cc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccccc1",
"O=C(c1ccc(C(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C1c2ccccc2C2(c3ccccc3)N1CCN2C(=O)c1c(F)cccc... | [
"ee881f84b96f5fc447b58c5d74dc9adff86f459e7520852ef7dcb1a599a5a13d",
"9810694a3dd674d8e3ab5ea398b63767c53fd5d373b6b6e91e61c5fd4fbb28cd",
"02b8717031dd2441e9026f3581a057cd64a62ad5f297250cb666b2656572d0c3",
"d6f0f6ec02699ef1ce7b0054f7ebf15a055600d78e71b5c8acbb7d60d50a2728",
"205adcadb27e06bfe90a5b275ebf3aba53a... | 1 |
pubchem:743025 | O=C(c1ccc(Cl)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccccc1 | bd5cbbb6d16472979cfa3c6dd14d4c98f478f97ac2f3774b1c9224df2c554b05 | [
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(Nc1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CCCN1C(=O)c2ccccc2C1c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)Nc3ccccc3N12",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1F",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccn2)cc1",
"O=C1c2ccccc2C2(c3ccc(C... | [
"03748449cf463a89bd5356c626d4082e35fc52f75069dc04892e56ffeff08bed",
"ef18e0992faa6b5cef52c7a21e686983021c62ae824504db3153addd5cda9fc9",
"66e51c17019ea78f2ecbb990c16fd71f162092c950556bf4defd24f417f2bba8",
"aa8111140ada05d64835b34668059d36721ca1bdd663deb97491ae1ac47b3807",
"9efeb81a5b41a504bd018f7ff29bd3ea476... | 1 |
pubchem:743025 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 720b7df1e4e9baa7feceb111dd3d5d733b1d4c17683f411dd736f4e8f47c1b4f | [
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(Nc1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CCCN1C(=O)c2ccccc2C1c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)Nc3ccccc3N12",
"COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1F",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccccn2)cc1",
"O=C1c2ccccc2C2(c3ccc(C... | [
"03748449cf463a89bd5356c626d4082e35fc52f75069dc04892e56ffeff08bed",
"ef18e0992faa6b5cef52c7a21e686983021c62ae824504db3153addd5cda9fc9",
"66e51c17019ea78f2ecbb990c16fd71f162092c950556bf4defd24f417f2bba8",
"aa8111140ada05d64835b34668059d36721ca1bdd663deb97491ae1ac47b3807",
"9efeb81a5b41a504bd018f7ff29bd3ea476... | 1 |
pubchem:743025 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 720b7df1e4e9baa7feceb111dd3d5d733b1d4c17683f411dd736f4e8f47c1b4f | [
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1",
"O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C1... | [
"f5915b262a63e18f772690bc6493250a34be8ecc9f16e1309d76daa7ab5d5099",
"10ae300574edfa5c60cb61d86a100735ddd085439a128ab97907f1a1a12a5eed",
"b87b14cdb6ed5b625f69c26ceec68bf3e2f7f98722eb28597ebb573a463704ba",
"de07ea39bd579c0bcd0c8fbb483eefa9bb3dae1d13f9c2a8f6018a5d8c3e42c9",
"16b94259177ee906295ce01840ff95d9e25... | 1 |
pubchem:743025 | O=C(c1cc(Cl)cc(Cl)c1)N1CCCN2C(=O)c3ccccc3C12c1ccccc1 | 1329a5962bbfa562edfc1693a3bf2470e910267cf0c075996f61e5b8ae1e7ec8 | [
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1",
"O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1",
"O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C1... | [
"f5915b262a63e18f772690bc6493250a34be8ecc9f16e1309d76daa7ab5d5099",
"10ae300574edfa5c60cb61d86a100735ddd085439a128ab97907f1a1a12a5eed",
"b87b14cdb6ed5b625f69c26ceec68bf3e2f7f98722eb28597ebb573a463704ba",
"de07ea39bd579c0bcd0c8fbb483eefa9bb3dae1d13f9c2a8f6018a5d8c3e42c9",
"16b94259177ee906295ce01840ff95d9e25... | 1 |
pubchem:743025 | O=C(c1cc(Cl)cc(Cl)c1)N1CCCN2C(=O)c3ccccc3C12c1ccccc1 | 1329a5962bbfa562edfc1693a3bf2470e910267cf0c075996f61e5b8ae1e7ec8 | [
"COc1ccccc1NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cccs1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCCN2C(=O)c3ccccc3... | [
"b628b3a6bd7842940a46a313e80933b23f01f4dab58e5e7c99ce0c091a464e96",
"5c89ac3fa8510a51c2b412b61c52456bbd46dfa3bb46ae0ab37cc9628de2179d",
"ad7a72cca0180ad8de78db1c4c1e16454aa0318d85ea5b11b7bc6a5c6712f320",
"d5344d00dd55544a1f961f40ba11cb410b436b95eec31b95088e7f17d0551b07",
"dca5c74d50d794b5969572378dd776d466e... | 1 |
pubchem:743025 | Cc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)c1 | 886827424719bc8f8d5c4e04212ffc89ed02e91fc3cd52aeb766c94ec146654f | [
"COc1ccccc1NC(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1",
"O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(c1cccs1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CC(C)(C)NC(=O)N1CCCN2C(=O)c3ccccc3... | [
"b628b3a6bd7842940a46a313e80933b23f01f4dab58e5e7c99ce0c091a464e96",
"5c89ac3fa8510a51c2b412b61c52456bbd46dfa3bb46ae0ab37cc9628de2179d",
"ad7a72cca0180ad8de78db1c4c1e16454aa0318d85ea5b11b7bc6a5c6712f320",
"d5344d00dd55544a1f961f40ba11cb410b436b95eec31b95088e7f17d0551b07",
"dca5c74d50d794b5969572378dd776d466e... | 1 |
pubchem:743025 | Cc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccccc2)c1 | 886827424719bc8f8d5c4e04212ffc89ed02e91fc3cd52aeb766c94ec146654f | [
"N#CC1(c2ccccc2)CCCN1C(=O)c1ccccc1",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CN(C)c1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1",
"C=CCN1C[C@H](C)N2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1",
"O=C(c1ccc(F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1"... | [
"e0b6656e1f4f7f75a7eabcfc3eec91bebbfd1a35e121a68bd9a086b6b273fb7d",
"7a6e9016f7c47e0a0c72442f5e482c28324b51180c410e3c2dada1a65cfab81a",
"4343e88a435e74bab4a3bbffb4bdcebdc37284adf2a5d2c25557da01a1176341",
"0048a512cb236c332873fb19e0e4383dbd9cc42c929422bdf74f796b59d41ec8",
"d3fa8400276bbeb132cf1e1b3dc70e6eff6... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 757d1dddbcf656c72753ae840f8eaf62e4c621cfdf3fc08936f140a6dca17869 | [
"N#CC1(c2ccccc2)CCCN1C(=O)c1ccccc1",
"O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ncccc3C12c1ccccc1",
"O=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"CN(C)c1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1",
"C=CCN1C[C@H](C)N2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1",
"O=C(c1ccc(F)cc1)N1CCCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1"... | [
"e0b6656e1f4f7f75a7eabcfc3eec91bebbfd1a35e121a68bd9a086b6b273fb7d",
"7a6e9016f7c47e0a0c72442f5e482c28324b51180c410e3c2dada1a65cfab81a",
"4343e88a435e74bab4a3bbffb4bdcebdc37284adf2a5d2c25557da01a1176341",
"0048a512cb236c332873fb19e0e4383dbd9cc42c929422bdf74f796b59d41ec8",
"d3fa8400276bbeb132cf1e1b3dc70e6eff6... | 1 |
pubchem:743025 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 757d1dddbcf656c72753ae840f8eaf62e4c621cfdf3fc08936f140a6dca17869 | [
"Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(F)cc2)cc1",
"COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(C)cc2)cc1",
"Cc1cccc(C(=O)N2CCCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1",
"O=C(c1ccccc1)N1CCCC1c1ccccc1",
"O=C1c2ccccc2C2(c3ccccc3)NCCN12",
"O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1",
"O=C1c2ccccc2C2(c3ccc(Cl)cc3... | [
"7f65f083d6f515cdb29087616e3782a362cf7d41421f15c726e85edcfeb824d1",
"62968c338fcf5869ab6e582d330e2c848b434cbffc061b27df71f2b88b1ef82f",
"d112dac9079337f2c26c7c62772f02f94a96cec4dac417418715ce2865d49716",
"12aad4ef044d7dd072d93a5b3ac2c1b0e2c4ac27df7cc27d490f4b98f1e71cfe",
"252bbaf06b9c16edb9aaf6a8a046eb9a466... | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.