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:720704 | NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2Cl)CC1 | 1683819d5d29093dcbdfc4ec3fba9e666016601296d054d9dd28ba1e84b5c157 | [
"CC1(C)OC(=O)C(C(c2ccccc2)C(C#N)C(N)=O)C(=O)O1",
"Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br",
"Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1",
"O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F",
"COc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1",
"C(=N/Nc1nc2ccccc2[nH]1)\\c1ccc2ncccc2c1",
"O=C(Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O"
... | [
"bb61713e14bb25e3f9a1091f87f4437837a44e3dc592b8c006b9d8555289d624",
"8ce75960ab632bfee2b8523b6557b25d8b7851c65ee0fb75e4e00605e710d1ff",
"7f23762b78b1fcec1991532c468b6ba0edd53cf8b8bde65798ed020e5b4392fd",
"8f0e1ad5d8ee8e16d714b19244bd4a79731ead79e7d4eea85e114b1a4bc7ebe5",
"08259aa86fe3d9bfd068640a028bade3773... | 1 |
pubchem:720704 | NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2Cl)CC1 | 1683819d5d29093dcbdfc4ec3fba9e666016601296d054d9dd28ba1e84b5c157 | [
"CCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1",
"CSc1ccccc1NC(=O)Cc1ccc(Br)cc1",
"CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1",
"CCCCNC(=O)CC1C(=O)N(Cc2ccc(OC)cc2)C2=CCN(C(=O)OC(C)(C)C)C[C@]21C(=O)OCC",
"COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1",
"COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N)c(... | [
"4ef1ef2ed018c65fe081efec52dbea5e5353277e90083af3dec3bf14961d3444",
"77fcc7bb4295d45af4e51404eb726470c29bfb7c9cfcc7f030c432fc8e9cf073",
"1a9ffc857a4ec9b107ac6769a2158db2a68d9de1bb43f2aec535d3a54ec26d96",
"53543a4b9f4d0966a7094e02432c1bb0fe1ca3db2a452ac07333d655add3181b",
"69814f6091f9ce4dc71b336ec289c6995a8... | 1 |
pubchem:720704 | O=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 | c8daba5a4ff2f3c7246b9b88678b6863b023b7ada2e8a57e96cd3ad65b4e3963 | [
"CCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1",
"CSc1ccccc1NC(=O)Cc1ccc(Br)cc1",
"CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1",
"CCCCNC(=O)CC1C(=O)N(Cc2ccc(OC)cc2)C2=CCN(C(=O)OC(C)(C)C)C[C@]21C(=O)OCC",
"COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1",
"COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N)c(... | [
"4ef1ef2ed018c65fe081efec52dbea5e5353277e90083af3dec3bf14961d3444",
"77fcc7bb4295d45af4e51404eb726470c29bfb7c9cfcc7f030c432fc8e9cf073",
"1a9ffc857a4ec9b107ac6769a2158db2a68d9de1bb43f2aec535d3a54ec26d96",
"53543a4b9f4d0966a7094e02432c1bb0fe1ca3db2a452ac07333d655add3181b",
"69814f6091f9ce4dc71b336ec289c6995a8... | 1 |
pubchem:720704 | O=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 | c8daba5a4ff2f3c7246b9b88678b6863b023b7ada2e8a57e96cd3ad65b4e3963 | [
"NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCOCC1",
"O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1",
"Cc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N",
"Cc1ccccc1OCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1",
"CCOC(=O)C(C#N)C=Nc1cc(C(C)(C)C)sc1C(C)=O",
"COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1",
"COC(=O)C(Cc1ccc(O)cc1)... | [
"520823d5d6160a767f11a1913042ead046afa9754e0362f9bf7e8b37863e707a",
"e44ec6e882583b5731cb3aede2e357bfd0e3007af22a58edd9460f20a5c3afd7",
"bf9e6c6a98aedaf47a8105d6fc06b3e182c91f3253cf8c647e637da96ab207a1",
"e669c1a639938479e6b8287c120d8174007932f0a7e47e3ef06044ece48d7370",
"eac12ef4a91e94a25db0db4d91054281af2... | 1 |
pubchem:720704 | CC(=O)c1ccc(OC(C)C)c(CSC(=N)N)c1 | 9171b9015cb0ab5caccc2a4dda10e787fbefbabe3796f6179e9e45bf041c0fc3 | [
"NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCOCC1",
"O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1",
"Cc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N",
"Cc1ccccc1OCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1",
"CCOC(=O)C(C#N)C=Nc1cc(C(C)(C)C)sc1C(C)=O",
"COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1",
"COC(=O)C(Cc1ccc(O)cc1)... | [
"520823d5d6160a767f11a1913042ead046afa9754e0362f9bf7e8b37863e707a",
"e44ec6e882583b5731cb3aede2e357bfd0e3007af22a58edd9460f20a5c3afd7",
"bf9e6c6a98aedaf47a8105d6fc06b3e182c91f3253cf8c647e637da96ab207a1",
"e669c1a639938479e6b8287c120d8174007932f0a7e47e3ef06044ece48d7370",
"eac12ef4a91e94a25db0db4d91054281af2... | 1 |
pubchem:720704 | CC(=O)c1ccc(OC(C)C)c(CSC(=N)N)c1 | 9171b9015cb0ab5caccc2a4dda10e787fbefbabe3796f6179e9e45bf041c0fc3 | [
"CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1",
"CCCC1=C/C(=C/c2ccc(-c3ccccc3OC)o2)C(=O)O1",
"O=S(=O)(NN1CCOCC1)c1cc(Cl)cc(Cl)c1O",
"O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccco1",
"COc1ccc(C#Cc2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2cccc(OC)c2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1",
"COc1ccc(NC(=O)CN2... | [
"50d97093c69cb9d38a1dd2216728389be061ecc5dfe79cd1843a0f9610f5c700",
"d12e3180441366cf5be20681222489360a424c839192993d9d6e84d43db8530f",
"1c9cb72b18074f2d766e47836a4f439ac9c046a28693d4210713a6a5abf2de04",
"59fd4856e00db150405d6ba5dd2c2b76ccc987e6725f8bad4f540d8570708631",
"ff1f1ffa050e656bfa7b7a1df4d3f00e288... | 1 |
pubchem:720704 | O=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | 49a8f18e04ad38ff878651b02cb1093348cefd543d031334c60b646d8bf7c2bf | [
"CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1",
"CCCC1=C/C(=C/c2ccc(-c3ccccc3OC)o2)C(=O)O1",
"O=S(=O)(NN1CCOCC1)c1cc(Cl)cc(Cl)c1O",
"O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccco1",
"COc1ccc(C#Cc2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2cccc(OC)c2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1",
"COc1ccc(NC(=O)CN2... | [
"50d97093c69cb9d38a1dd2216728389be061ecc5dfe79cd1843a0f9610f5c700",
"d12e3180441366cf5be20681222489360a424c839192993d9d6e84d43db8530f",
"1c9cb72b18074f2d766e47836a4f439ac9c046a28693d4210713a6a5abf2de04",
"59fd4856e00db150405d6ba5dd2c2b76ccc987e6725f8bad4f540d8570708631",
"ff1f1ffa050e656bfa7b7a1df4d3f00e288... | 1 |
pubchem:720704 | O=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | 49a8f18e04ad38ff878651b02cb1093348cefd543d031334c60b646d8bf7c2bf | [
"COC(=O)C(CC(C)C)N(Cc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccccc1Br",
"Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-]",
"CCOC(=O)c1c(C)c(Nc2ccc(OC)cc2)c(O)n1-c1ccc(OC)cc1",
"COc1ccc(N2CCN(C(CNC(=O)C(=O)NCc3cccnc3)c3ccco3)CC2)cc1",
"C/C=C/c1ccccc1OCc1ccc(C(=O)O)o1",
"Cc1oc(-c2ccoc2)nc1CN(Cc1ccccc1)CC1CC1",
"CN(C)c1nc... | [
"5fdd75b1b82600b29b8495107a50360758356d2ddf740e027f217bbb102abaa8",
"7b72563005d1e4303751c3ca1169791ddcd81c7e7a9d1c3a434e3b9bc4e0b09c",
"2d1f083ca0fc9561d73e068e306f97b0b3f755388fd8c82922b519012f441543",
"4168144fa5a4ae467ebe8dbead2a8cd324440daecd45979c50e22e89e58b7609",
"35988daaef60922ba85f7d289ec0122b8ee... | 1 |
pubchem:720704 | Cn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21 | 6fde7fab13958800f0f7ef85473f22bafa45623e3f0dbfdffb13500d3264e1bd | [
"COC(=O)C(CC(C)C)N(Cc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccccc1Br",
"Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-]",
"CCOC(=O)c1c(C)c(Nc2ccc(OC)cc2)c(O)n1-c1ccc(OC)cc1",
"COc1ccc(N2CCN(C(CNC(=O)C(=O)NCc3cccnc3)c3ccco3)CC2)cc1",
"C/C=C/c1ccccc1OCc1ccc(C(=O)O)o1",
"Cc1oc(-c2ccoc2)nc1CN(Cc1ccccc1)CC1CC1",
"CN(C)c1nc... | [
"5fdd75b1b82600b29b8495107a50360758356d2ddf740e027f217bbb102abaa8",
"7b72563005d1e4303751c3ca1169791ddcd81c7e7a9d1c3a434e3b9bc4e0b09c",
"2d1f083ca0fc9561d73e068e306f97b0b3f755388fd8c82922b519012f441543",
"4168144fa5a4ae467ebe8dbead2a8cd324440daecd45979c50e22e89e58b7609",
"35988daaef60922ba85f7d289ec0122b8ee... | 1 |
pubchem:720704 | Cn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21 | 6fde7fab13958800f0f7ef85473f22bafa45623e3f0dbfdffb13500d3264e1bd | [
"COc1ccc(NC(=O)CC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1",
"O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1",
"CCCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC",
"C[C@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13",
"Cc1nc(NCCO)c2nnn(Cc3ccccc3F)c2n1",
"C=CCNc1sc(C(=O)c2ccccc2)c(N)c1C#N",
"Cc1ccc(-n2nc3... | [
"74fe1de50f8768817a7ef26accb2d8b432be039f0ccac5a456207672801ada12",
"86c78f5305ef57a8df806016da2a89e646bb0acef2266b7523e51e529601dba0",
"867572aca1d9b23076e501e8324d129ef3c6ff644cb9be93e806e1cc37b3de50",
"d0df1fc1dd5630b30d4b30244ce055ffb39abbf69b793e899c032e3c3bc04d1c",
"4de698d179a4e74a971eec62db10fec4de6... | 1 |
pubchem:720704 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 | aad7f071e1a2d57f049db851fabbb55061f8043cdf8fe7d1e70a9ad6d3fb3bcb | [
"COc1ccc(NC(=O)CC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1",
"O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1",
"CCCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC",
"C[C@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13",
"Cc1nc(NCCO)c2nnn(Cc3ccccc3F)c2n1",
"C=CCNc1sc(C(=O)c2ccccc2)c(N)c1C#N",
"Cc1ccc(-n2nc3... | [
"74fe1de50f8768817a7ef26accb2d8b432be039f0ccac5a456207672801ada12",
"86c78f5305ef57a8df806016da2a89e646bb0acef2266b7523e51e529601dba0",
"867572aca1d9b23076e501e8324d129ef3c6ff644cb9be93e806e1cc37b3de50",
"d0df1fc1dd5630b30d4b30244ce055ffb39abbf69b793e899c032e3c3bc04d1c",
"4de698d179a4e74a971eec62db10fec4de6... | 1 |
pubchem:720704 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 | aad7f071e1a2d57f049db851fabbb55061f8043cdf8fe7d1e70a9ad6d3fb3bcb | [
"O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1",
"O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc(F)cc1",
"CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCC#N",
"O=S(=O)(c1ccc2nnn(O)c2c1)N1CCOCC1",
"CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc21",
"COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1C(CC(=O)N1CCOCC1)c1c... | [
"9ac776ab3c51d26e9caddacee5eb828e4b1878dfae215033f2b591095937736c",
"71c87a544b1bd02f64a90fc02cf41b27d3044fc07e667d53ca4949a31c6529d0",
"41c9c93dc3acd70cbd5fd904fafda1ec43da46c3d5c37655b8a8edb9b1f3d32b",
"574d323b08f6250b6f1a3a76c0e1ca683eba8b56e0c3715a091a9936f06ae6da",
"6e107493f9e4e94a18a30b9de7e0733afd1... | 1 |
pubchem:720704 | Cc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 | 5ad3feec1ad3e94be4a6ebc0efe7ce699c7f051d95b341c820af8d8c7b301ba3 | [
"O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1",
"O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc(F)cc1",
"CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCC#N",
"O=S(=O)(c1ccc2nnn(O)c2c1)N1CCOCC1",
"CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc21",
"COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1C(CC(=O)N1CCOCC1)c1c... | [
"9ac776ab3c51d26e9caddacee5eb828e4b1878dfae215033f2b591095937736c",
"71c87a544b1bd02f64a90fc02cf41b27d3044fc07e667d53ca4949a31c6529d0",
"41c9c93dc3acd70cbd5fd904fafda1ec43da46c3d5c37655b8a8edb9b1f3d32b",
"574d323b08f6250b6f1a3a76c0e1ca683eba8b56e0c3715a091a9936f06ae6da",
"6e107493f9e4e94a18a30b9de7e0733afd1... | 1 |
pubchem:720704 | Cc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 | 5ad3feec1ad3e94be4a6ebc0efe7ce699c7f051d95b341c820af8d8c7b301ba3 | [
"CCCNC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C",
"O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccc(F)cc1",
"O=C(Nc1ccc(-n2c(O)c3c(c2O)C2C=CC3C2)cc1)Nc1nnc(C(F)(F)F)s1",
"COc1ccc(C(=O)NCC(c2cccs2)N2CCc3ccccc32)cc1OC",
"CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1",
"CCOC(=O)C1(CCc2ccccc2)CCN(Cc... | [
"861937f79beddd86b06fc960b74c12bf2e1bbf8d41010d99ba11fb8fc9451d9a",
"8e93ca9c9f3a057758e2cab95a443c7d37ff1bcaebe08d439b4e3c8da0f45285",
"7cfe525f2b2c7aa4671204cf89927b104f2a31bd678167093193c61726bc29e1",
"8760d2040c1fc2c574398bdd6bc42cb26db00c69a9fb9520c8b11aea3040a3f2",
"e6fa8896ec2304b83c751db14a209b52fd9... | 1 |
pubchem:720704 | COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 | 70b2db00201ab082b5f112f32f92876f034ef16b44581aa2a3e5e3cdec7d102c | [
"CCCNC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C",
"O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccc(F)cc1",
"O=C(Nc1ccc(-n2c(O)c3c(c2O)C2C=CC3C2)cc1)Nc1nnc(C(F)(F)F)s1",
"COc1ccc(C(=O)NCC(c2cccs2)N2CCc3ccccc32)cc1OC",
"CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1",
"CCOC(=O)C1(CCc2ccccc2)CCN(Cc... | [
"861937f79beddd86b06fc960b74c12bf2e1bbf8d41010d99ba11fb8fc9451d9a",
"8e93ca9c9f3a057758e2cab95a443c7d37ff1bcaebe08d439b4e3c8da0f45285",
"7cfe525f2b2c7aa4671204cf89927b104f2a31bd678167093193c61726bc29e1",
"8760d2040c1fc2c574398bdd6bc42cb26db00c69a9fb9520c8b11aea3040a3f2",
"e6fa8896ec2304b83c751db14a209b52fd9... | 1 |
pubchem:720704 | COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 | 70b2db00201ab082b5f112f32f92876f034ef16b44581aa2a3e5e3cdec7d102c | [
"COc1ccc(N2CCN(S(=O)(=O)c3cc(Br)cnc3N)CC2)cc1",
"CCOc1cccc(=O)c2c(C)n(C)c(C)c12",
"O=C(CSc1nc(CCC2CCCC2)nc2ccccc12)NCc1ccc2c(c1)OCO2",
"O=C(NCc1ccccc1)C(c1ccccc1F)n1c(=O)c(-c2ccccc2)nc2ccccc21",
"Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)c1C",
"O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cccc(F)c1",
"... | [
"70b1518bf6a9ab07f17b1b9d3b5a9879faf758a44c0705f9ec09ef74035b54ed",
"1978778e38a1c4fea48a0e688e928d6bf001252cb9d0d7dfbe1ea536a4f77903",
"d3b25e8dd7246c2a0d1919ab0ee74b916264cb9b70ba88ae8421c46cc79efcf8",
"530eef80054de1e084875486e44893a9e3f2f985480ebb4c405b1f9c11c43434",
"37274d3d46e92a64c684a11e0e23e1d712a... | 1 |
pubchem:720704 | NC1=NC2(CCC(c3ccccc3)CC2)n2c(nc3ccccc32)N1 | 3fb377a3b35e78772666f5d84c4af95d6e0b807d4c091c173fb2d468071a4ee6 | [
"COc1ccc(N2CCN(S(=O)(=O)c3cc(Br)cnc3N)CC2)cc1",
"CCOc1cccc(=O)c2c(C)n(C)c(C)c12",
"O=C(CSc1nc(CCC2CCCC2)nc2ccccc12)NCc1ccc2c(c1)OCO2",
"O=C(NCc1ccccc1)C(c1ccccc1F)n1c(=O)c(-c2ccccc2)nc2ccccc21",
"Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)c1C",
"O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cccc(F)c1",
"... | [
"70b1518bf6a9ab07f17b1b9d3b5a9879faf758a44c0705f9ec09ef74035b54ed",
"1978778e38a1c4fea48a0e688e928d6bf001252cb9d0d7dfbe1ea536a4f77903",
"d3b25e8dd7246c2a0d1919ab0ee74b916264cb9b70ba88ae8421c46cc79efcf8",
"530eef80054de1e084875486e44893a9e3f2f985480ebb4c405b1f9c11c43434",
"37274d3d46e92a64c684a11e0e23e1d712a... | 1 |
pubchem:720704 | NC1=NC2(CCC(c3ccccc3)CC2)n2c(nc3ccccc32)N1 | 3fb377a3b35e78772666f5d84c4af95d6e0b807d4c091c173fb2d468071a4ee6 | [
"C=CCn1c(-c2ccccc2)n[nH]c1=S",
"CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO",
"Cc1nc2n(COCCO)cnn2c(=O)c1Br",
"COCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12",
"Cc1ccc(S(=O)(=O)CCSc2n[nH]c(=O)n2-c2ccccc2)cc1",
"CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O",
"CN1C... | [
"5305ccd4b681dccb2747c6af043e4589ee15ca68d28ea0e7b0750d0db6e91d68",
"d1ac91a09510a57de46c9d7f0739f28fec5edf5935f0d7ca6f90174d89199b65",
"7c164ae326f4fa8cd8a7e5d47cb9d6d2ce015f00b10673f4d7c822830ed1956b",
"2f156352d52b9c32b36e91836f0342bc2607b09fb08d394c3309f47096559288",
"259efef7f8f02d8aeece3483cc44fab3f33... | 1 |
pubchem:720704 | O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 | 365df2a2045be01996452f4b697b63e7606b393937fb405cb771d360cf4be354 | [
"C=CCn1c(-c2ccccc2)n[nH]c1=S",
"CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO",
"Cc1nc2n(COCCO)cnn2c(=O)c1Br",
"COCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12",
"Cc1ccc(S(=O)(=O)CCSc2n[nH]c(=O)n2-c2ccccc2)cc1",
"CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O",
"CN1C... | [
"5305ccd4b681dccb2747c6af043e4589ee15ca68d28ea0e7b0750d0db6e91d68",
"d1ac91a09510a57de46c9d7f0739f28fec5edf5935f0d7ca6f90174d89199b65",
"7c164ae326f4fa8cd8a7e5d47cb9d6d2ce015f00b10673f4d7c822830ed1956b",
"2f156352d52b9c32b36e91836f0342bc2607b09fb08d394c3309f47096559288",
"259efef7f8f02d8aeece3483cc44fab3f33... | 1 |
pubchem:720704 | O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 | 365df2a2045be01996452f4b697b63e7606b393937fb405cb771d360cf4be354 | [
"O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(N3CCOCC3)nn2)CC1",
"COc1cc(N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1",
"COc1ccc2c(CN(Cc3ccccc3)Cc3ccccc3)cc(=O)oc2c1",
"O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCC1",
"CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]c1=O",
"CN(C)CCCn1cnc2c(c1=N)C(c... | [
"365a206dd09d04f90aa5ec51c3e631f94f4b548209fb6873168f13cd7fafaa65",
"5e459f04e1cc5f609456b1ae00151146943d3979b7c6ca3ecc85bf2b2eeb1ab4",
"fc949bd4137e5c99a6f095a1d0cf387bdaf0960f05baa73e4f5a7f8d5377daf7",
"0f84d3e3398b022f0412dcf146424880da01acb503a869f5c691f64dcddcc055",
"a7299f04edadac10227e6601c73f0a8ac86... | 1 |
pubchem:720704 | Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 | a433ef4f19e0fdd9b3066bbc6953db29eb476f22d5e3ff5ca9a1c6952bf78248 | [
"O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(N3CCOCC3)nn2)CC1",
"COc1cc(N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1",
"COc1ccc2c(CN(Cc3ccccc3)Cc3ccccc3)cc(=O)oc2c1",
"O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCC1",
"CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]c1=O",
"CN(C)CCCn1cnc2c(c1=N)C(c... | [
"365a206dd09d04f90aa5ec51c3e631f94f4b548209fb6873168f13cd7fafaa65",
"5e459f04e1cc5f609456b1ae00151146943d3979b7c6ca3ecc85bf2b2eeb1ab4",
"fc949bd4137e5c99a6f095a1d0cf387bdaf0960f05baa73e4f5a7f8d5377daf7",
"0f84d3e3398b022f0412dcf146424880da01acb503a869f5c691f64dcddcc055",
"a7299f04edadac10227e6601c73f0a8ac86... | 1 |
pubchem:720704 | Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 | a433ef4f19e0fdd9b3066bbc6953db29eb476f22d5e3ff5ca9a1c6952bf78248 | [
"CCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O",
"COc1cccc(CNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1",
"COc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cn1",
"Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c(C)c1",
"N=c1sccn1CC(=O)Nc1ccccc1Cc1ccccc1",
"CCCCN(C(=O)C1CCN(C(=O)c2ccccc2C)CC1)c1c(N)n(CCCC)c(=O)[nH... | [
"176909ba40d166a168c76d6b5c4fc59ddec6c42921db793f584af9fd9361c9bf",
"c877abac3646689b2e4153bb88a2955b9bd4a66bb3a19f5d34f034450e428cfb",
"118e4afee85eb16b994cc204e38660d36250f097882c389f185787c94b1f7e83",
"d874cebb9c7cba4911211834332222dada1caff71b4fc63e75083ae25777d797",
"6132e228b192f61063aecb15b59326cc010... | 1 |
pubchem:720704 | COC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1 | 19dec1ebf997faea275b32ca48e2760158397364f588d217259da00c57760b77 | [
"CCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O",
"COc1cccc(CNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1",
"COc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cn1",
"Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c(C)c1",
"N=c1sccn1CC(=O)Nc1ccccc1Cc1ccccc1",
"CCCCN(C(=O)C1CCN(C(=O)c2ccccc2C)CC1)c1c(N)n(CCCC)c(=O)[nH... | [
"176909ba40d166a168c76d6b5c4fc59ddec6c42921db793f584af9fd9361c9bf",
"c877abac3646689b2e4153bb88a2955b9bd4a66bb3a19f5d34f034450e428cfb",
"118e4afee85eb16b994cc204e38660d36250f097882c389f185787c94b1f7e83",
"d874cebb9c7cba4911211834332222dada1caff71b4fc63e75083ae25777d797",
"6132e228b192f61063aecb15b59326cc010... | 1 |
pubchem:720704 | COC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1 | 19dec1ebf997faea275b32ca48e2760158397364f588d217259da00c57760b77 | [
"CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCC(=O)c1ccc(F)cc1",
"CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1",
"Cc1cccc(Cn2cc(COC(=O)NCCc3ccccc3)nn2)c1",
"CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1",
"O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccnc1",
"CC(C)Oc1ccc(C(=O)OC(C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1",
"CCN... | [
"689f0005a4bb0df15bbe6ec3760bbc039636761d90b29eb8eefff16db46d81ca",
"c4c9eda2ccf772d794290f63777ac44b1a19a6ea1c7065282c881c589bb6b4fc",
"bbfc627631f5a21702f9d0717a0ed39d763d1718e18e9d1ef9af51624cfc81e4",
"c12c7792f38da3fa54ff62697400f8ab669b8a680423da2e13093f0dc0133a75",
"77e81dfd00af6f21f2e7ea31f5916ee8316... | 1 |
pubchem:720704 | C=CCC(CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@@H](COC(=O)C(CC=C)CC(=O)OC(C)(C)C)Cc1c[nH]c2ccccc12 | a4e9f146dc4260acd584706433b4c584bb441337c1c6b24c27351ec4ff186be9 | [
"CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCC(=O)c1ccc(F)cc1",
"CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1",
"Cc1cccc(Cn2cc(COC(=O)NCCc3ccccc3)nn2)c1",
"CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1",
"O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccnc1",
"CC(C)Oc1ccc(C(=O)OC(C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1",
"CCN... | [
"689f0005a4bb0df15bbe6ec3760bbc039636761d90b29eb8eefff16db46d81ca",
"c4c9eda2ccf772d794290f63777ac44b1a19a6ea1c7065282c881c589bb6b4fc",
"bbfc627631f5a21702f9d0717a0ed39d763d1718e18e9d1ef9af51624cfc81e4",
"c12c7792f38da3fa54ff62697400f8ab669b8a680423da2e13093f0dc0133a75",
"77e81dfd00af6f21f2e7ea31f5916ee8316... | 1 |
pubchem:720704 | C=CCC(CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@@H](COC(=O)C(CC=C)CC(=O)OC(C)(C)C)Cc1c[nH]c2ccccc12 | a4e9f146dc4260acd584706433b4c584bb441337c1c6b24c27351ec4ff186be9 | [
"Cc1cc(C)n2nc(CCCO)nc2n1",
"CCn1c(SCc2ccc(C)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F",
"c1ccc(-c2ccc3c(c2)c2c4n3CCN=C4CCC2)cc1",
"CC(=O)Nc1ccc(OCC(O)Cn2nc(C)nc2C)cc1",
"O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccccc1C(F)(F)F",
"CC1CC(NC(=O)C(C#N)=Cc2ccc[nH]2)CC(C)(C)C1",
"N#C/C(=C\\c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-]... | [
"69110bb02155eeba9729156acd032426d2b561944ed01398b1abaab6f5ca5625",
"2c5e6927e087caa81ab07c36a81dee83526a9ae29c0492c180d93c0a8ddaf07f",
"15206e57ae1e7dc3bf56ecdd752f75b44be42c2e1f9b7d1c6e501ea2c5b8d99b",
"02c7ab5f76d26b404388853c7e518a3b3d9637cf79d84982ad8ceffbc3357bc7",
"c73ddf0d79d8f0632d2a5ca432230b47229... | 1 |
pubchem:720704 | NC(=O)COC(=O)CCCc1nc2ccccc2s1 | 3a340dd9c94e5d49e9484c4883799cd7a63a6350364f4f93de688b05feb7ece5 | [
"Cc1cc(C)n2nc(CCCO)nc2n1",
"CCn1c(SCc2ccc(C)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F",
"c1ccc(-c2ccc3c(c2)c2c4n3CCN=C4CCC2)cc1",
"CC(=O)Nc1ccc(OCC(O)Cn2nc(C)nc2C)cc1",
"O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccccc1C(F)(F)F",
"CC1CC(NC(=O)C(C#N)=Cc2ccc[nH]2)CC(C)(C)C1",
"N#C/C(=C\\c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-]... | [
"69110bb02155eeba9729156acd032426d2b561944ed01398b1abaab6f5ca5625",
"2c5e6927e087caa81ab07c36a81dee83526a9ae29c0492c180d93c0a8ddaf07f",
"15206e57ae1e7dc3bf56ecdd752f75b44be42c2e1f9b7d1c6e501ea2c5b8d99b",
"02c7ab5f76d26b404388853c7e518a3b3d9637cf79d84982ad8ceffbc3357bc7",
"c73ddf0d79d8f0632d2a5ca432230b47229... | 1 |
pubchem:720704 | NC(=O)COC(=O)CCCc1nc2ccccc2s1 | 3a340dd9c94e5d49e9484c4883799cd7a63a6350364f4f93de688b05feb7ece5 | [
"O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1",
"O=C(NCCOc1ccccc1)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O",
"COc1ccc(Oc2cccc(Cl)c2CNC(=O)CCCC(=O)O)cc1",
"COc1ccccc1C(=O)NCc1nnc(SC(C)C(=O)Nc2nccs2)n1C",
"Cc1ccc(-c2nc3ccccc3n2C(C(=O)NC(C)(C)C)C2CC2)cc1",
"CCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2c([nH]c3ccccc32)c1=O",
... | [
"8219de4b8973310ad8b09a958c6e331cbd27518c27945ce1730fe259d86484c7",
"81b28124bdaa8aa9de02c31d1db5d042bdb4a4b6a1c872443c1e0d0859d1e1b8",
"011dc5320f534dc1a140812545815826e9ca9a85ba715dfb74fc267ff9536252",
"45187fbe87ba9dd15a1e12967714887c5014a23e132835a6290f5aa238376ec0",
"33a70252d224a04c1f18ec8fb854eb4f728... | 1 |
pubchem:720704 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C | 5dd30b17e43c97ae34d498d7c93e5202f6636b0a5616c502fe822d5e8fdc385b | [
"O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1",
"O=C(NCCOc1ccccc1)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O",
"COc1ccc(Oc2cccc(Cl)c2CNC(=O)CCCC(=O)O)cc1",
"COc1ccccc1C(=O)NCc1nnc(SC(C)C(=O)Nc2nccs2)n1C",
"Cc1ccc(-c2nc3ccccc3n2C(C(=O)NC(C)(C)C)C2CC2)cc1",
"CCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2c([nH]c3ccccc32)c1=O",
... | [
"8219de4b8973310ad8b09a958c6e331cbd27518c27945ce1730fe259d86484c7",
"81b28124bdaa8aa9de02c31d1db5d042bdb4a4b6a1c872443c1e0d0859d1e1b8",
"011dc5320f534dc1a140812545815826e9ca9a85ba715dfb74fc267ff9536252",
"45187fbe87ba9dd15a1e12967714887c5014a23e132835a6290f5aa238376ec0",
"33a70252d224a04c1f18ec8fb854eb4f728... | 1 |
pubchem:720704 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C | 5dd30b17e43c97ae34d498d7c93e5202f6636b0a5616c502fe822d5e8fdc385b | [
"CCOC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C(C)=O)c1C",
"CCCS(=O)(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1",
"Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1",
"O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1",
"CC(=O)OC(COc1cccc(C)c1)Cn1cnc2ccccc21",
"O=C(CCC(C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccccc1",
"Cc1nnc(SCC(=O)N2CCC... | [
"2b444365500d0f0640269553bfd29a6efd0ecb5d3fc7f9c9609ba6e6f471feb3",
"ced0f6c6515b2be9aa2dae43c9de5774b46482bc36a21002bd42b00a4b9568ba",
"c5f1edf696c8def03a041312b8014cee8f51b011deecd77d55a1ea37e36e9c2b",
"e2a623f9f8e6ce395fae65b11b78afa9108c49cc77a99189a478e1909ecb06af",
"8d68a94d5a9546b71ce68edec437bfe84ce... | 1 |
pubchem:720704 | CCOC(=O)C1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CNC(=O)[C@@]12C | 383d7f6592b2323e1ffb025feb2f502608f39c6b2a4902b00309cf2290939189 | [
"CCOC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C(C)=O)c1C",
"CCCS(=O)(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1",
"Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1",
"O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1",
"CC(=O)OC(COc1cccc(C)c1)Cn1cnc2ccccc21",
"O=C(CCC(C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccccc1",
"Cc1nnc(SCC(=O)N2CCC... | [
"2b444365500d0f0640269553bfd29a6efd0ecb5d3fc7f9c9609ba6e6f471feb3",
"ced0f6c6515b2be9aa2dae43c9de5774b46482bc36a21002bd42b00a4b9568ba",
"c5f1edf696c8def03a041312b8014cee8f51b011deecd77d55a1ea37e36e9c2b",
"e2a623f9f8e6ce395fae65b11b78afa9108c49cc77a99189a478e1909ecb06af",
"8d68a94d5a9546b71ce68edec437bfe84ce... | 1 |
pubchem:720704 | CCOC(=O)C1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CNC(=O)[C@@]12C | 383d7f6592b2323e1ffb025feb2f502608f39c6b2a4902b00309cf2290939189 | [
"COCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(OC)ccc1n3S(C)(=O)=O",
"Cc1cc(-c2n[nH]c(=S)n2-c2ccccc2C)cs1",
"CCC[C@@H]1C=C(C(=O)OCC)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1",
"CCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1",
"O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1",
"COc1ccccc1OCc1ccc(C(=O)N... | [
"7c4c1c0824e55e7873eca055f93376186dd56927595aa474edf6b823d69a4067",
"25f8b9df2feebc083a4ecd6a1fa85a1021516b1b3815c0a237fb67d31b1f3879",
"fd7e4ae82ef9b9779859a421ded174be47f106cedf7d70233987cd18494fe29d",
"355bb0b1ee432f09834b0ae187dc39456cbb5c48d9ddc893d19d46882d0b5aa9",
"955228adadd7554e90711227b1c5299a43c... | 1 |
pubchem:720704 | CN1C(=O)[C@@]2(O[C@H]3[C@H]4C=C[C@@H](c5c4c(O)n(Cc4ccccc4)c5O)N3C3=C2C(=O)CC3)c2ccccc21 | 422d39d4eab341bdba128c5ad1d80fbdcf4f0b782241c05e874cb1e363805b45 | [
"COCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(OC)ccc1n3S(C)(=O)=O",
"Cc1cc(-c2n[nH]c(=S)n2-c2ccccc2C)cs1",
"CCC[C@@H]1C=C(C(=O)OCC)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1",
"CCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1",
"O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1",
"COc1ccccc1OCc1ccc(C(=O)N... | [
"7c4c1c0824e55e7873eca055f93376186dd56927595aa474edf6b823d69a4067",
"25f8b9df2feebc083a4ecd6a1fa85a1021516b1b3815c0a237fb67d31b1f3879",
"fd7e4ae82ef9b9779859a421ded174be47f106cedf7d70233987cd18494fe29d",
"355bb0b1ee432f09834b0ae187dc39456cbb5c48d9ddc893d19d46882d0b5aa9",
"955228adadd7554e90711227b1c5299a43c... | 1 |
pubchem:720704 | CN1C(=O)[C@@]2(O[C@H]3[C@H]4C=C[C@@H](c5c4c(O)n(Cc4ccccc4)c5O)N3C3=C2C(=O)CC3)c2ccccc21 | 422d39d4eab341bdba128c5ad1d80fbdcf4f0b782241c05e874cb1e363805b45 | [
"O=C(NCc1cccnc1)c1ccc(=O)oc1",
"O=Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1O",
"C#CCNC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1",
"Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3cccnc3)c3nnnn3c12",
"COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Br)o2)c1",
"CN1CCCC1(C)C(=O)NCc1ccc(F)cc1Cl",
"CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C=... | [
"7f6a175986c0b0db82da6582bd717679193f174e4b47313d29aa6c082ac58d68",
"2ef34d07d50986981a9b9582891965c6ba8bc327ebb076fc27b3d41b836d30c1",
"736903e1000cea7f91c6eccc9995acc175cd69de7b8c6e2c8ca8ef1278148184",
"debe50cf719d8596266152376d6d1582a9f7f20cf939857b9aa1d3d19c65e9f0",
"be0c54ad3f2c61cf62f6b0fe2f403ad5793... | 1 |
pubchem:720704 | O=C(NCCc1ccccc1)c1c[nH]c2ccccc2c1=O | 43a618eb72356832cc5cc402cd571ff9dff5d62e8dbe338a4c2a77e7899570f7 | [
"O=C(NCc1cccnc1)c1ccc(=O)oc1",
"O=Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1O",
"C#CCNC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1",
"Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3cccnc3)c3nnnn3c12",
"COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Br)o2)c1",
"CN1CCCC1(C)C(=O)NCc1ccc(F)cc1Cl",
"CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C=... | [
"7f6a175986c0b0db82da6582bd717679193f174e4b47313d29aa6c082ac58d68",
"2ef34d07d50986981a9b9582891965c6ba8bc327ebb076fc27b3d41b836d30c1",
"736903e1000cea7f91c6eccc9995acc175cd69de7b8c6e2c8ca8ef1278148184",
"debe50cf719d8596266152376d6d1582a9f7f20cf939857b9aa1d3d19c65e9f0",
"be0c54ad3f2c61cf62f6b0fe2f403ad5793... | 1 |
pubchem:720704 | O=C(NCCc1ccccc1)c1c[nH]c2ccccc2c1=O | 43a618eb72356832cc5cc402cd571ff9dff5d62e8dbe338a4c2a77e7899570f7 | [
"COc1ccccc1N1C(=NC(=O)CCC2CCCC2)SC2CS(=O)(=O)CC21",
"N#CCCN(Cc1ccccc1)C(=S)Nc1ccccc1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O",
"Cc1ccc(F)c(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)CCC2CCCC2)c1",
"CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2",
"COc1ccccc1CNC(=O)CNC(=O)C1Cc2ccccc2CN1"... | [
"678c6b49e45234e76eb1b27f024100d2c5b5ee0634ca1c14ce029419e8ee205f",
"b3a8f373db564cb5845abf0c3749367b926fe5c1bcfe99ef85baccc5851faa59",
"56ef4364af7069f41abf862a6ff709e694c5c84a827c6aefba87b06dfcbb1280",
"773a2f90c7c2d36764b83e40218ce221a943b1373bcdd803c568ab6657f3704b",
"e0fc31583181593edc4549b53f2060840ff... | 1 |
pubchem:720704 | Cc1csc(Nc2nc(N)c(C(=O)Nc3ccccc3)o2)n1 | 7797c32231b8b516f79d81d63deaf0a847d08ff8326282f562859412e165bc9e | [
"COc1ccccc1N1C(=NC(=O)CCC2CCCC2)SC2CS(=O)(=O)CC21",
"N#CCCN(Cc1ccccc1)C(=S)Nc1ccccc1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O",
"Cc1ccc(F)c(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)CCC2CCCC2)c1",
"CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2",
"COc1ccccc1CNC(=O)CNC(=O)C1Cc2ccccc2CN1"... | [
"678c6b49e45234e76eb1b27f024100d2c5b5ee0634ca1c14ce029419e8ee205f",
"b3a8f373db564cb5845abf0c3749367b926fe5c1bcfe99ef85baccc5851faa59",
"56ef4364af7069f41abf862a6ff709e694c5c84a827c6aefba87b06dfcbb1280",
"773a2f90c7c2d36764b83e40218ce221a943b1373bcdd803c568ab6657f3704b",
"e0fc31583181593edc4549b53f2060840ff... | 1 |
pubchem:720704 | Cc1csc(Nc2nc(N)c(C(=O)Nc3ccccc3)o2)n1 | 7797c32231b8b516f79d81d63deaf0a847d08ff8326282f562859412e165bc9e | [
"N=c1c2c(ccn1CCCCc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1",
"O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1Cl)C1CCCO1",
"CCC(CO)NCc1cc(OC)c(OCC(=O)NCCc2ccccc2)cc1Br",
"CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1OCC",
"CC(=NNC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1cccc(O)c1",
"O=C(NC1CCCC1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1",
"N#Cc1ccc(CSc... | [
"c07fc17db249d4135441e0f410ecdde5dcdb14226289469cc38baf9cd0810344",
"2a4eb1eb93a07967e41d8948849f6743130dcf691d15b0785c4a4240bd9b0816",
"b67f5ab080782c399e877cad7c029ac49fd063761737e04842f511133cbf009e",
"cf26d38d3e0a248e6c12f57eee3ec58f7f220f92f346faada5efc2054421f1e9",
"e3d002757d39576c85a1a51d18aa146523f... | 1 |
pubchem:720704 | O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1 | 3308886993d5b388bc95ddc1f887eadff6c6c7e0bd78d810947309ec2e880859 | [
"N=c1c2c(ccn1CCCCc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1",
"O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1Cl)C1CCCO1",
"CCC(CO)NCc1cc(OC)c(OCC(=O)NCCc2ccccc2)cc1Br",
"CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1OCC",
"CC(=NNC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1cccc(O)c1",
"O=C(NC1CCCC1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1",
"N#Cc1ccc(CSc... | [
"c07fc17db249d4135441e0f410ecdde5dcdb14226289469cc38baf9cd0810344",
"2a4eb1eb93a07967e41d8948849f6743130dcf691d15b0785c4a4240bd9b0816",
"b67f5ab080782c399e877cad7c029ac49fd063761737e04842f511133cbf009e",
"cf26d38d3e0a248e6c12f57eee3ec58f7f220f92f346faada5efc2054421f1e9",
"e3d002757d39576c85a1a51d18aa146523f... | 1 |
pubchem:720704 | O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1 | 3308886993d5b388bc95ddc1f887eadff6c6c7e0bd78d810947309ec2e880859 | [
"NS(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1",
"CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O",
"COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O",
"COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1",
"O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc2c(c1)OCCO2",
"Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F",
"CNc1ccc(S(=O)(=O)NCC(=O)OCC... | [
"d3baab88b0d9fbfde54ad071408f3cd6b374d669988d79e4a26ee9bb34414fda",
"9aad409eb592d305901d07101306154bad0f1d5193e292be74e6f7676fe02db4",
"2f474799ca765f9dfbf9464d687ec5613b4e387aa7c401962f091ede3cecfb89",
"bbe2988cac0b721a1a1430886a4abe86586b4026d4aaa1e3288ac5e3afd25231",
"05544d332e560c301a654eb072cde2f25fe... | 1 |
pubchem:720704 | CCCNC(=O)C1(C)CCN(C(=O)c2ccc(C)c(F)c2)C1 | b84faadc368c7bba35cd7923aed6a30076e9a3aef3c7514ab220b78fdcfd3773 | [
"NS(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1",
"CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O",
"COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O",
"COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1",
"O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc2c(c1)OCCO2",
"Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F",
"CNc1ccc(S(=O)(=O)NCC(=O)OCC... | [
"d3baab88b0d9fbfde54ad071408f3cd6b374d669988d79e4a26ee9bb34414fda",
"9aad409eb592d305901d07101306154bad0f1d5193e292be74e6f7676fe02db4",
"2f474799ca765f9dfbf9464d687ec5613b4e387aa7c401962f091ede3cecfb89",
"bbe2988cac0b721a1a1430886a4abe86586b4026d4aaa1e3288ac5e3afd25231",
"05544d332e560c301a654eb072cde2f25fe... | 1 |
pubchem:720704 | CCCNC(=O)C1(C)CCN(C(=O)c2ccc(C)c(F)c2)C1 | b84faadc368c7bba35cd7923aed6a30076e9a3aef3c7514ab220b78fdcfd3773 | [
"Cc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1",
"O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1",
"COc1ccccc1N1CCN(c2cnccn2)CC1",
"O=C(OCC(=O)N1CCOCC1)c1ccc(Cl)nc1",
"O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCC2)CC1",
"Cc1nnc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn12",
"C=C(C)CSc1nc2cc(Br)c(C)nc2[nH]1"
] | [
"0ada3152a042d483909e663bd8b76e32cf2a32253d482c57137bd5c39cb78926",
"0380c9724ba7caf35185b7bc2821fec38e24b680e5235e2131cac740fcb41659",
"fde85a39dbc62693876462e91c25cd6fafd4766db1ba26b5f002c8785e300d77",
"147b157f7d13c6ca2eadcdf330886fd098e79cf53afe211def88edfad60f3115",
"d8536051ff6df90aaf42ae933dca43f9328... | 1 |
pubchem:720704 | COC(=O)CC(C)=NC(=O)c1ccccc1Cl | c1e22ac60e5b407d4a0f03a264fb84c78f1cdb8b94e09f30679a8e9f7baaad27 | [
"Cc1cc(C)c2[nH]c(=O)cc(-c3ccc([N+](=O)[O-])cc3)c2c1",
"O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1",
"COc1ccccc1N1CCN(c2cnccn2)CC1",
"O=C(OCC(=O)N1CCOCC1)c1ccc(Cl)nc1",
"O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCC2)CC1",
"Cc1nnc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn12",
"C=C(C)CSc1nc2cc(Br)c(C)nc2[nH]1"
] | [
"0ada3152a042d483909e663bd8b76e32cf2a32253d482c57137bd5c39cb78926",
"0380c9724ba7caf35185b7bc2821fec38e24b680e5235e2131cac740fcb41659",
"fde85a39dbc62693876462e91c25cd6fafd4766db1ba26b5f002c8785e300d77",
"147b157f7d13c6ca2eadcdf330886fd098e79cf53afe211def88edfad60f3115",
"d8536051ff6df90aaf42ae933dca43f9328... | 1 |
pubchem:720704 | COC(=O)CC(C)=NC(=O)c1ccccc1Cl | c1e22ac60e5b407d4a0f03a264fb84c78f1cdb8b94e09f30679a8e9f7baaad27 | [
"CCCCCCC/C=N/Nc1nc(=O)c(Cc2ccccc2)n[nH]1",
"CC(C)(C)n1nc2c(c1NC(=O)Cc1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2",
"O=C(NCC(c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1",
"Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc[nH]c3=O)c2C)cc1",
"O=C(NCCCN1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-]",
"CC(=O)N1CCc2cc(... | [
"8c8d58982d525323653bf49e785c4a87608ab4143a3cecaa82d73edaf81703b6",
"ba0f04504aebd7640ae71306af57fb342524c7f26520e546f9e2fe66fec49af4",
"f8aa882e3546e2ccbad5cce037b17728b5d287b924a1e91bc8f7785619481a09",
"90ae8fd6975ce9a702ed09e99afcd6d7845ad6f33670d0a88d3697f5527173a5",
"646d340f7b99a55174de86d6f6796d6f69d... | 1 |
pubchem:720704 | O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 | d76fda0300f8710bfacda1923eaed0a6b44c0fcad6770f78f5845ca584508c23 | [
"CCCCCCC/C=N/Nc1nc(=O)c(Cc2ccccc2)n[nH]1",
"CC(C)(C)n1nc2c(c1NC(=O)Cc1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2",
"O=C(NCC(c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1",
"Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc[nH]c3=O)c2C)cc1",
"O=C(NCCCN1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-]",
"CC(=O)N1CCc2cc(... | [
"8c8d58982d525323653bf49e785c4a87608ab4143a3cecaa82d73edaf81703b6",
"ba0f04504aebd7640ae71306af57fb342524c7f26520e546f9e2fe66fec49af4",
"f8aa882e3546e2ccbad5cce037b17728b5d287b924a1e91bc8f7785619481a09",
"90ae8fd6975ce9a702ed09e99afcd6d7845ad6f33670d0a88d3697f5527173a5",
"646d340f7b99a55174de86d6f6796d6f69d... | 1 |
pubchem:720704 | O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 | d76fda0300f8710bfacda1923eaed0a6b44c0fcad6770f78f5845ca584508c23 | [
"C=CCn1c(CCC(O)COCCCCC)n[nH]c1=S",
"Cc1cccc(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)c1",
"Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1",
"CC(NC(=O)CNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1",
"NCCc1ccc(O)c(O)c1",
"COc1cc(C(=O)Nc2c(C(=O)O)[nH]c3ccccc23)cc(OC)c1OC",
"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C"
] | [
"8cece83e03eae295d25bd5fc98cd40a4467caac0b59620d470a84bc01a783b7f",
"db8de9f72a9f6a519a97712a3583d1a8144f0050c3a6742a5b5eb04a2ededb28",
"addf9c7cf00323a2c1a7eb80543d1849f9ebaeb0e6836cb45556fca1243d81a6",
"a45a6ef1709a07c44e114642c821636bb8e670fd67258683528a8076d3cf0737",
"8c989074bc36c962545c6731cbb09a9bcea... | 1 |
pubchem:720704 | CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCCC1 | 3c2d4560ee46aab1dff0ac5c44fc6c91b3b85ceac12977d91a7d2cd1557632cf | [
"C=CCn1c(CCC(O)COCCCCC)n[nH]c1=S",
"Cc1cccc(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)c1",
"Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1",
"CC(NC(=O)CNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1",
"NCCc1ccc(O)c(O)c1",
"COc1cc(C(=O)Nc2c(C(=O)O)[nH]c3ccccc23)cc(OC)c1OC",
"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C"
] | [
"8cece83e03eae295d25bd5fc98cd40a4467caac0b59620d470a84bc01a783b7f",
"db8de9f72a9f6a519a97712a3583d1a8144f0050c3a6742a5b5eb04a2ededb28",
"addf9c7cf00323a2c1a7eb80543d1849f9ebaeb0e6836cb45556fca1243d81a6",
"a45a6ef1709a07c44e114642c821636bb8e670fd67258683528a8076d3cf0737",
"8c989074bc36c962545c6731cbb09a9bcea... | 1 |
pubchem:720704 | CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCCC1 | 3c2d4560ee46aab1dff0ac5c44fc6c91b3b85ceac12977d91a7d2cd1557632cf | [
"Nc1ccccc1SCC(=O)Nc1nccs1",
"CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1",
"Cc1csc(OCC(=O)Nc2ccc(C)c(C)c2)n1",
"Cc1cccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1",
"CC(NC(=O)Cc1ccccc1)c1ccccc1",
"CCN(C(=O)CSc1nnc(NC2CCCCC2)s1)C1CCS(=O)(=O)C1",
"Cc1cc(-c2n[nH]c(=S)o2)c(C)n1-c1ccccc1"
] | [
"f961c786ba4471b8269bd1b953471ffaa515ea1de5014fae44550b8a52d15200",
"aeadcc75ba2188bb0c0f75229b820bb13c603e3f40ab07e467a844876f01a913",
"8afbe1ab6f1d604ba42e4283b9217505d307f10798c8b415421fa17e07b4a073",
"1e89b6298d4b874d9a28120f22d3a4a3e1851a776a4e70cb828ee019471203fa",
"40946cb850f15b96afad586df1302b31b88... | 1 |
pubchem:720704 | N=C(NOC(=O)CCCc1ccccc1)c1cccnc1 | 57169d01f6c541b667285b8db802f2a5ffd83ee53f1da64522b40b3abbc1f5f5 | [
"Nc1ccccc1SCC(=O)Nc1nccs1",
"CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1",
"Cc1csc(OCC(=O)Nc2ccc(C)c(C)c2)n1",
"Cc1cccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1",
"CC(NC(=O)Cc1ccccc1)c1ccccc1",
"CCN(C(=O)CSc1nnc(NC2CCCCC2)s1)C1CCS(=O)(=O)C1",
"Cc1cc(-c2n[nH]c(=S)o2)c(C)n1-c1ccccc1"
] | [
"f961c786ba4471b8269bd1b953471ffaa515ea1de5014fae44550b8a52d15200",
"aeadcc75ba2188bb0c0f75229b820bb13c603e3f40ab07e467a844876f01a913",
"8afbe1ab6f1d604ba42e4283b9217505d307f10798c8b415421fa17e07b4a073",
"1e89b6298d4b874d9a28120f22d3a4a3e1851a776a4e70cb828ee019471203fa",
"40946cb850f15b96afad586df1302b31b88... | 1 |
pubchem:720704 | N=C(NOC(=O)CCCc1ccccc1)c1cccnc1 | 57169d01f6c541b667285b8db802f2a5ffd83ee53f1da64522b40b3abbc1f5f5 | [
"COC(=O)C1CCN(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1",
"CCc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1",
"COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C",
"O=C1Nc2ccccc2C1=Nc1ccc(Cl)cc1",
"CSc1ncccc1C(=O)OCC(=O)c1ccc(Br)s1",
"O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NCC1CCCO1",
"CC(=O)N=C1... | [
"cbf551d06156a437cf27256c927dadec714adb726db35fdc57ef92335868350d",
"967d5511ee7407b885a0cd99d1fa67cb5b8173b5ca732b448402c71de941c39d",
"eb34e56a62389dbf99136c15a4aa8bf0992b56eb7229263af1adc2140c31705e",
"ce9bfd98316a9a86bee66d890d05f8773cc01f6ec4454b8e81b5beaa1f5a9974",
"0e414aede7cf9e818bee9ed96b3632080ad... | 1 |
pubchem:720704 | CSCCC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O | 8e10d53ab7c4ce786c0152f699c91cac817342f13c12aff5c222ea197ad99faa | [
"COC(=O)C1CCN(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1",
"CCc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1",
"COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C",
"O=C1Nc2ccccc2C1=Nc1ccc(Cl)cc1",
"CSc1ncccc1C(=O)OCC(=O)c1ccc(Br)s1",
"O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NCC1CCCO1",
"CC(=O)N=C1... | [
"cbf551d06156a437cf27256c927dadec714adb726db35fdc57ef92335868350d",
"967d5511ee7407b885a0cd99d1fa67cb5b8173b5ca732b448402c71de941c39d",
"eb34e56a62389dbf99136c15a4aa8bf0992b56eb7229263af1adc2140c31705e",
"ce9bfd98316a9a86bee66d890d05f8773cc01f6ec4454b8e81b5beaa1f5a9974",
"0e414aede7cf9e818bee9ed96b3632080ad... | 1 |
pubchem:720704 | CSCCC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O | 8e10d53ab7c4ce786c0152f699c91cac817342f13c12aff5c222ea197ad99faa | [
"Cc1c(C(=O)O)cccc1-n1c(C)cc(C=O)c1C",
"CCOC(=O)C1(C)CCCCN1C(=O)c1ccc(F)c(C)c1",
"O=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1",
"O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ncc(Cl)cc1Cl",
"CC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1",
"O=[N+]([O-])c1ccc(/C=N\\NS(=O)(=O)c2ccc(F)cc2)o1",
"N#CC1(Nc2ccc(Br)cc2)CCCC1"
] | [
"95c2c990ad691783560b497644bef8b1124ac4c129b2749bb7d040000b6d8210",
"09f355accf00ad1d63bcdc5fc23a6dd46f9ae901cb8ad4ff119fc07a20407067",
"b22a52031e71ebda9b2f8b96265c2cc1e1f4567c90ae437cf67687440ef8b506",
"cd72c6f365a5cd598e06d4d0510c9e5f4cbe6d47fa95d78b50639228c96fc2e2",
"2bf4b19a2898cddf7c1db6f5ca80e91f0ee... | 1 |
pubchem:720704 | Cn1c(=O)c2c(ncn2CCC(=O)N/N=C/c2ccccc2)n(C)c1=O | 411da09f3a695360086bd49c44970913287231d9f8b0805ecee02100887e65ff | [
"Cc1c(C(=O)O)cccc1-n1c(C)cc(C=O)c1C",
"CCOC(=O)C1(C)CCCCN1C(=O)c1ccc(F)c(C)c1",
"O=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1",
"O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ncc(Cl)cc1Cl",
"CC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1",
"O=[N+]([O-])c1ccc(/C=N\\NS(=O)(=O)c2ccc(F)cc2)o1",
"N#CC1(Nc2ccc(Br)cc2)CCCC1"
] | [
"95c2c990ad691783560b497644bef8b1124ac4c129b2749bb7d040000b6d8210",
"09f355accf00ad1d63bcdc5fc23a6dd46f9ae901cb8ad4ff119fc07a20407067",
"b22a52031e71ebda9b2f8b96265c2cc1e1f4567c90ae437cf67687440ef8b506",
"cd72c6f365a5cd598e06d4d0510c9e5f4cbe6d47fa95d78b50639228c96fc2e2",
"2bf4b19a2898cddf7c1db6f5ca80e91f0ee... | 1 |
pubchem:720704 | Cn1c(=O)c2c(ncn2CCC(=O)N/N=C/c2ccccc2)n(C)c1=O | 411da09f3a695360086bd49c44970913287231d9f8b0805ecee02100887e65ff | [
"CC(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1",
"CCCCn1nnnc1C(c1cc2ccccc2o1)N1CCN(CCN(C)C)CC1",
"Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1",
"CC1(C)OC(=O)C(C(c2ccccc2)C(C#N)C(N)=O)C(=O)O1",
"Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br",
"Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1",
"O=C(NCCCNc1ccc([N+](=O)[O-])... | [
"a388ac046efd31099260125e0836a75b899c6ede505d850660264bf0924efc25",
"2db9939a8d2ccafeddb5282a6e13ac439a3e48d85f8bc3f812251047c0893c79",
"e0ad096512af59474cc0470dd039a14801d3d03e44aeb14e00eb81a40f1af6f1",
"bb61713e14bb25e3f9a1091f87f4437837a44e3dc592b8c006b9d8555289d624",
"8ce75960ab632bfee2b8523b6557b25d8b7... | 1 |
pubchem:720704 | Cc1ccc(/C=C/C(=O)NCc2cccs2)cc1 | 1259ab859c19d5ba392f0ff3261b200d03ea979570c32fbe87d2c467b686c0b1 | [
"CC(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1",
"CCCCn1nnnc1C(c1cc2ccccc2o1)N1CCN(CCN(C)C)CC1",
"Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1",
"CC1(C)OC(=O)C(C(c2ccccc2)C(C#N)C(N)=O)C(=O)O1",
"Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br",
"Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1",
"O=C(NCCCNc1ccc([N+](=O)[O-])... | [
"a388ac046efd31099260125e0836a75b899c6ede505d850660264bf0924efc25",
"2db9939a8d2ccafeddb5282a6e13ac439a3e48d85f8bc3f812251047c0893c79",
"e0ad096512af59474cc0470dd039a14801d3d03e44aeb14e00eb81a40f1af6f1",
"bb61713e14bb25e3f9a1091f87f4437837a44e3dc592b8c006b9d8555289d624",
"8ce75960ab632bfee2b8523b6557b25d8b7... | 1 |
pubchem:720704 | Cc1ccc(/C=C/C(=O)NCc2cccs2)cc1 | 1259ab859c19d5ba392f0ff3261b200d03ea979570c32fbe87d2c467b686c0b1 | [
"COc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1",
"C(=N/Nc1nc2ccccc2[nH]1)\\c1ccc2ncccc2c1",
"O=C(Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O",
"CCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1",
"CSc1ccccc1NC(=O)Cc1ccc(Br)cc1",
"CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1",
"CCCCNC(=O)CC1C(=O)N(Cc2ccc(OC)cc2)C2=CCN(C(=O)OC(C)(C)C)... | [
"08259aa86fe3d9bfd068640a028bade37739bb556dae11aa5d9e74052ac55142",
"bcad3727f26e7b6f771c2a45dd62b544f0a3095bb9089b5987921d724b395daa",
"69c9b994861ee23e3f1e076541a2815d5795d26b15540f243fa762ce24964f2e",
"4ef1ef2ed018c65fe081efec52dbea5e5353277e90083af3dec3bf14961d3444",
"77fcc7bb4295d45af4e51404eb726470c29... | 1 |
pubchem:720704 | Cc1cccc(C)c1NC(=O)C1(C)CSCC(=O)N1CCOc1ccccc1 | d4b051e54ca8f8476731d447d74115f7abf8cbd4718e566ff7ff4bf0b499c3cd | [
"COc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1",
"C(=N/Nc1nc2ccccc2[nH]1)\\c1ccc2ncccc2c1",
"O=C(Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O",
"CCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1",
"CSc1ccccc1NC(=O)Cc1ccc(Br)cc1",
"CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1",
"CCCCNC(=O)CC1C(=O)N(Cc2ccc(OC)cc2)C2=CCN(C(=O)OC(C)(C)C)... | [
"08259aa86fe3d9bfd068640a028bade37739bb556dae11aa5d9e74052ac55142",
"bcad3727f26e7b6f771c2a45dd62b544f0a3095bb9089b5987921d724b395daa",
"69c9b994861ee23e3f1e076541a2815d5795d26b15540f243fa762ce24964f2e",
"4ef1ef2ed018c65fe081efec52dbea5e5353277e90083af3dec3bf14961d3444",
"77fcc7bb4295d45af4e51404eb726470c29... | 1 |
pubchem:720704 | Cc1cccc(C)c1NC(=O)C1(C)CSCC(=O)N1CCOc1ccccc1 | d4b051e54ca8f8476731d447d74115f7abf8cbd4718e566ff7ff4bf0b499c3cd | [
"COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1",
"COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N)c([N+](=O)[O-])c1",
"COc1ccc(/C=N/NC(=O)CCSc2nc3ccccc3s2)cc1OC",
"NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCOCC1",
"O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1",
"Cc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N",
"Cc1ccccc... | [
"69814f6091f9ce4dc71b336ec289c6995a8981334c35a10bed168d30255c9f61",
"d8db87d5dcf0ba128d1a3120ed0ad699f669be0cad8f11cef243e20ae7bf6e2d",
"bbaa01e323e7f2a0ec92d8dde88555c96e24e90ea0d1aec26d5a9e88603dd9fa",
"520823d5d6160a767f11a1913042ead046afa9754e0362f9bf7e8b37863e707a",
"e44ec6e882583b5731cb3aede2e357bfd0e... | 1 |
pubchem:720709 | Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O | 72f7443889c1aa7ea177865814a5dd644530a844e66a8000626a5cf693114c2e | [
"CCN(CC)CCN1CNC(=S)N(c2ccccc2OC)C1",
"O=C1CCC(CCC(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)=NN1",
"Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccccc2)nn1C",
"Cc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1F",
"C=CCN(C(=O)c1csnn1)C(C(=O)NCc1ccc(F)cc1)c1sccc1C",
"Cc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1",
"CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1"
... | [
"a2938368ee5dff83c29c4fddacf6348c50e4b5c6d1f7e239fb746fa3f0c383ee",
"75b8146ee928dedd2d4119e295b3c2b8c9b87c34258bc5df0b379d769fcd80dd",
"a7b861a409a970564750fb349c074be13d0ec3060a83f751ba86f8d73ff1dff3",
"04e70f8c1b9c43050143f5a24e62b12546c1bcd56eecc4b8246a107bd4a302ac",
"caee13d4011abf57d1dbfd9b923383dff9b... | 1.28 |
pubchem:720709 | Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O | 72f7443889c1aa7ea177865814a5dd644530a844e66a8000626a5cf693114c2e | [
"COc1ccc(C(=O)OCCN2CCOCC2)cc1",
"O=C(NCc1cccc(F)c1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O",
"N#C/C(=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ccccc2[nH]1",
"Oc1ccc2ccc3cccc[n+]3c2c1",
"CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)c(C(=O)O)c1",
"CCOc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OC",
"CN(CCCOc1ccccc1F)Cc1ccc... | [
"0462aabf768539d0c6bc57be27d4c6cc7e3969143f390dd796c60cd8b3257a27",
"b1ab8525f3239b0f162644b13c44564abc8e8350243a4559f0da1762a828ab65",
"8a532d2a62f6c347baa2881e4ef7b49c43e35036d8f7ff329cbe66f83742b820",
"77d79bf934b79f24d48a87466abfb8e1c3cee3735ac250bc177310513baca99e",
"4e0b967cc4b4e67cdc53862aab749a4a041... | 1.28 |
pubchem:720709 | COC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1 | b929fc8cfee0176ac060269974df191fecaec3960110946119b0ed2832d0f707 | [
"COc1ccc(C(=O)OCCN2CCOCC2)cc1",
"O=C(NCc1cccc(F)c1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O",
"N#C/C(=C\\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ccccc2[nH]1",
"Oc1ccc2ccc3cccc[n+]3c2c1",
"CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)c(C(=O)O)c1",
"CCOc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OC",
"CN(CCCOc1ccccc1F)Cc1ccc... | [
"0462aabf768539d0c6bc57be27d4c6cc7e3969143f390dd796c60cd8b3257a27",
"b1ab8525f3239b0f162644b13c44564abc8e8350243a4559f0da1762a828ab65",
"8a532d2a62f6c347baa2881e4ef7b49c43e35036d8f7ff329cbe66f83742b820",
"77d79bf934b79f24d48a87466abfb8e1c3cee3735ac250bc177310513baca99e",
"4e0b967cc4b4e67cdc53862aab749a4a041... | 1.265 |
pubchem:720709 | COC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1 | b929fc8cfee0176ac060269974df191fecaec3960110946119b0ed2832d0f707 | [
"Cc1ccc(OC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1",
"O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1C=NC1CC1",
"Cn1cc(/C=C/c2cc[n+](C)cc2)c2cc(F)ccc21",
"COc1ccc(C)cc1NC(=O)CCCN1C(=S)NC(C)(C)CC1C",
"S=c1[nH]c(-c2ccccc2)cn1/N=C/c1ccccc1Br",
"COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1",
"COc1ccc(/C=C/C(=... | [
"5118ac28808f3adf75342f4626dbb075031894a2008fad41a1d3f165e8cf2653",
"4a0661eb3f7ec4275eec0b82c340cd659464c38cf8df3d075311326559124cfa",
"1212a8fb811cdeaba799a4f6072d6921913a24ffe267676e40c94a47c8e60bcc",
"dc9c10a9309a16661c780a793713e4cc9bbd09213b5902444a3531d8fb7525ed",
"960c0562b0608f239b668988abeecdd7ebf... | 1.265 |
pubchem:720709 | O=C(O)c1cc(O)c2c(O)c3c(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cccc34)c2c1 | 0e71da7e0c3b07de5bd1c3f2a47dc8a2de0136dc7fa49fe26477cd624870c291 | [
"Cc1ccc(OC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1",
"O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1C=NC1CC1",
"Cn1cc(/C=C/c2cc[n+](C)cc2)c2cc(F)ccc21",
"COc1ccc(C)cc1NC(=O)CCCN1C(=S)NC(C)(C)CC1C",
"S=c1[nH]c(-c2ccccc2)cn1/N=C/c1ccccc1Br",
"COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1",
"COc1ccc(/C=C/C(=... | [
"5118ac28808f3adf75342f4626dbb075031894a2008fad41a1d3f165e8cf2653",
"4a0661eb3f7ec4275eec0b82c340cd659464c38cf8df3d075311326559124cfa",
"1212a8fb811cdeaba799a4f6072d6921913a24ffe267676e40c94a47c8e60bcc",
"dc9c10a9309a16661c780a793713e4cc9bbd09213b5902444a3531d8fb7525ed",
"960c0562b0608f239b668988abeecdd7ebf... | 1.265 |
pubchem:720709 | O=C(O)c1cc(O)c2c(O)c3c(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cccc34)c2c1 | 0e71da7e0c3b07de5bd1c3f2a47dc8a2de0136dc7fa49fe26477cd624870c291 | [
"Cc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c2cccnc12",
"N#CC1C(=N)OC2=C(CC/C2=C\\c2ccccc2)C1c1ccccc1",
"COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1",
"O=c1c(Cl)c(N2CCOCC2)cnn1-c1ncc(C(F)(F)F)cc1Cl",
"Cc1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1",
"O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1",
"CN(C)CCN(C(=O)c1cc(... | [
"c2ec4f7fc20ed29b2c3406d324b9ebe5cc8576d13138f6b84dcd303cedc1835c",
"dfa9f384e7f7397eb415830ee82afa4e720417ecadd268534f1f34a85eed931f",
"ce8555f84de7401338f41392d95d0e4ffb3a2c33d329c1f5077a205a262a7492",
"9b6c55b56d1832a7036c60a8b368d387aa1df0155d834cb2b455b696a096d367",
"252e38c8ed3289a6e620ef49476393751eb... | 1.265 |
pubchem:720709 | CCOc1ccccc1CNc1ccc(O)cc1 | c6014b48590455127d245040f8e8be0b1f4934ffebaac2590a2f026256baf96a | [
"Cc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c2cccnc12",
"N#CC1C(=N)OC2=C(CC/C2=C\\c2ccccc2)C1c1ccccc1",
"COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1",
"O=c1c(Cl)c(N2CCOCC2)cnn1-c1ncc(C(F)(F)F)cc1Cl",
"Cc1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1",
"O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1",
"CN(C)CCN(C(=O)c1cc(... | [
"c2ec4f7fc20ed29b2c3406d324b9ebe5cc8576d13138f6b84dcd303cedc1835c",
"dfa9f384e7f7397eb415830ee82afa4e720417ecadd268534f1f34a85eed931f",
"ce8555f84de7401338f41392d95d0e4ffb3a2c33d329c1f5077a205a262a7492",
"9b6c55b56d1832a7036c60a8b368d387aa1df0155d834cb2b455b696a096d367",
"252e38c8ed3289a6e620ef49476393751eb... | 1.261667 |
pubchem:720709 | CCOc1ccccc1CNc1ccc(O)cc1 | c6014b48590455127d245040f8e8be0b1f4934ffebaac2590a2f026256baf96a | [
"CS(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1",
"CC(C(=O)N1CCOCC1)c1ccccc1",
"COc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1",
"CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1",
"CCc1ccc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)s1",
"COc1ccc(OCCSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1",
... | [
"a510766fc287677f841834921781465a6c805d09ad2f38a4384697aa0d87807b",
"7b2de694ab4c262178e17991e0f56bd9c098b93d05518aa82905a5988a816647",
"6e4a026e7b9aac63945b2bc8f2e3e77b91a891f067caad62b6dcac3f57eddf0b",
"88376138d677d5ef89da120ef749cb1c888748a6219b804aec2caeed8fb59f07",
"4cacf5d855339d3fa6ac70b5a8b71ea00ee... | 1.261667 |
pubchem:720709 | O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12 | ec56dc6385dca711d261b5b62750c44cf6759243eb8301bc154e9d8248c56b48 | [
"CS(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1",
"CC(C(=O)N1CCOCC1)c1ccccc1",
"COc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1",
"CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1",
"CCc1ccc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)s1",
"COc1ccc(OCCSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1",
... | [
"a510766fc287677f841834921781465a6c805d09ad2f38a4384697aa0d87807b",
"7b2de694ab4c262178e17991e0f56bd9c098b93d05518aa82905a5988a816647",
"6e4a026e7b9aac63945b2bc8f2e3e77b91a891f067caad62b6dcac3f57eddf0b",
"88376138d677d5ef89da120ef749cb1c888748a6219b804aec2caeed8fb59f07",
"4cacf5d855339d3fa6ac70b5a8b71ea00ee... | 1.256667 |
pubchem:720709 | O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12 | ec56dc6385dca711d261b5b62750c44cf6759243eb8301bc154e9d8248c56b48 | [
"CC(C)CC1=NN2C(=N)/C(=C\\c3coc4ccccc4c3=O)C(=O)N=C2S1",
"Cn1c(=O)c2c(SCC(N)=O)nc(CC(C)(C)C)nc2n(C)c1=O",
"CC(C)(C)OC(=O)N1CSCC1C(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1",
"O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1",
"C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CCCCC1",
"COc1ccc(C)cc1NC(=O)C1CCN(C(=O)... | [
"0f40ac190d7de5a5503d97d93043e7d48b35bb050f6b84ba7fa8d67dacc07e77",
"f217bd9cb549f904d9eed761c179a97a157a1ec61c163835628c5d6ea3d07e16",
"150fb72d93c1e71171401984d965c0dafd98e0f9f7545cee581ac1d26383ac4a",
"c5665cb18b0de79ed56e6a75130879eb1e13d750b29b5255ee1e5b2d320810f5",
"25600d37fa35679ec873c5a1004bafbb94b... | 1.256667 |
pubchem:720709 | CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12 | 212f15886e05cd8eb88d227e8f670930fe0c3180428bcbdffe4ee356c942ac94 | [
"CC(C)CC1=NN2C(=N)/C(=C\\c3coc4ccccc4c3=O)C(=O)N=C2S1",
"Cn1c(=O)c2c(SCC(N)=O)nc(CC(C)(C)C)nc2n(C)c1=O",
"CC(C)(C)OC(=O)N1CSCC1C(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1",
"O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1",
"C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CCCCC1",
"COc1ccc(C)cc1NC(=O)C1CCN(C(=O)... | [
"0f40ac190d7de5a5503d97d93043e7d48b35bb050f6b84ba7fa8d67dacc07e77",
"f217bd9cb549f904d9eed761c179a97a157a1ec61c163835628c5d6ea3d07e16",
"150fb72d93c1e71171401984d965c0dafd98e0f9f7545cee581ac1d26383ac4a",
"c5665cb18b0de79ed56e6a75130879eb1e13d750b29b5255ee1e5b2d320810f5",
"25600d37fa35679ec873c5a1004bafbb94b... | 1.253333 |
pubchem:720709 | CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12 | 212f15886e05cd8eb88d227e8f670930fe0c3180428bcbdffe4ee356c942ac94 | [
"O=C(NCCN1CCOCC1)C(Cc1ccc(F)cc1)=NC(=O)c1ccccc1",
"COc1ccc(NC(=S)N2CCC3CC2c2c(Cl)cccc23)c(OC)c1",
"CC(C)(C)CNC(=O)c1cc2c(Br)ccc(Br)c2nc1N",
"CC(C)CCNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3",
"CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1",
"CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4ccccc4F)CC3)cc... | [
"b7063f1043ed5f40fcde193fbab2bed973dc0b3ff9c1da714ab929c68024a805",
"679aa7a8829413f3dffd0778810a8fc437cbeb990c445cd10b23535389bf83c3",
"91351e81113cbcc1d7eee93b412233038dba9c4361569e77843a14430ab6bcf0",
"102422f4dc39b8712e5cd9818d4622d4a539bcc305a2e7208224dff7c1929ba8",
"d5714312e9e129afe7c38ca8e4b9280426f... | 1.253333 |
pubchem:720709 | O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 | 20b2912d3e69913db5bcd4f3027e52db1a53c7b4d9a12c08fe465f78f9e3f62b | [
"O=C(NCCN1CCOCC1)C(Cc1ccc(F)cc1)=NC(=O)c1ccccc1",
"COc1ccc(NC(=S)N2CCC3CC2c2c(Cl)cccc23)c(OC)c1",
"CC(C)(C)CNC(=O)c1cc2c(Br)ccc(Br)c2nc1N",
"CC(C)CCNC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCCC3",
"CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1",
"CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4ccccc4F)CC3)cc... | [
"b7063f1043ed5f40fcde193fbab2bed973dc0b3ff9c1da714ab929c68024a805",
"679aa7a8829413f3dffd0778810a8fc437cbeb990c445cd10b23535389bf83c3",
"91351e81113cbcc1d7eee93b412233038dba9c4361569e77843a14430ab6bcf0",
"102422f4dc39b8712e5cd9818d4622d4a539bcc305a2e7208224dff7c1929ba8",
"d5714312e9e129afe7c38ca8e4b9280426f... | 1.253333 |
pubchem:720709 | O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 | 20b2912d3e69913db5bcd4f3027e52db1a53c7b4d9a12c08fe465f78f9e3f62b | [
"CC(=O)c1cccc(OCC(=O)N2CCCc3ccccc32)c1",
"Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1",
"CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1",
"CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCN(C(=O)OCC)CC4)cc3)c2C(N)=O)C1",
"O=[N+]([O-])c1cccc(CNc2ccc3c(c2)CCC3)c1",
"COc1ccc2c3c(cccc13)C(=O)CC2",
"Nc1ccc2nc3c(=O)n(C4CCCCC4... | [
"cdb5b5bf9686bf5c4628f6c2253b649e509eedf88dcd4c8a7bdce27b2376e60d",
"6cca46aac74786fde650225c7aab9a9107295a4ec7f878464cbad2b08f456567",
"bda69407d7510f5110dfa4bc7d18a8a32be499dc3c1481c7a9970e69056b8cde",
"cede7d4f18866a375598969fc44abb78275d8158f6682022ef636a91c6105861",
"5ce07dbd1a85fa0359c7792e2fdc1625955... | 1.253333 |
pubchem:720709 | Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 | cc3ab046658560716e635a632b02ae9db8ff40f4136d039ed7598668e457f8a6 | [
"CC(=O)c1cccc(OCC(=O)N2CCCc3ccccc32)c1",
"Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1",
"CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1",
"CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCN(C(=O)OCC)CC4)cc3)c2C(N)=O)C1",
"O=[N+]([O-])c1cccc(CNc2ccc3c(c2)CCC3)c1",
"COc1ccc2c3c(cccc13)C(=O)CC2",
"Nc1ccc2nc3c(=O)n(C4CCCCC4... | [
"cdb5b5bf9686bf5c4628f6c2253b649e509eedf88dcd4c8a7bdce27b2376e60d",
"6cca46aac74786fde650225c7aab9a9107295a4ec7f878464cbad2b08f456567",
"bda69407d7510f5110dfa4bc7d18a8a32be499dc3c1481c7a9970e69056b8cde",
"cede7d4f18866a375598969fc44abb78275d8158f6682022ef636a91c6105861",
"5ce07dbd1a85fa0359c7792e2fdc1625955... | 1.253333 |
pubchem:720709 | Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 | cc3ab046658560716e635a632b02ae9db8ff40f4136d039ed7598668e457f8a6 | [
"O=C(NCc1cccc(F)c1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O",
"CCN(CC)c1ccc2cc(C(=O)c3cccs3)c(=O)oc2c1",
"CCCN1C(=O)S/C(=C\\c2ccc(N3CCOCC3)o2)C1=O",
"Cc1cccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c1",
"CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)C(CC(=O)NCCCN(C)C)C1",
"Cc1ccc(NC(=O)C(Cc2cccs2)=NC(=O)c2ccco2)cc1",
"Cc1c... | [
"8c006e3b93dd4345dba1bc9b63680e77c7e180a3efbb2868da70d4d8eb930b0e",
"85dd6a5635c639e2e0cb2a1249cb88ff4c945281183916057fbf906f5b597f81",
"6b7098d2a731e86aa3ed66fc4f8ecf063bc3d9285f24bc036af7bc00572584ee",
"f2d0979a759c3de79f6334146c00fc956bf186ca382f0c6df8ce8609deb5e124",
"82a171996b16eba9a4ddf78431abde5a002... | 1.253333 |
pubchem:720709 | O=C(NN=Cc1ccccc1O)c1cccc(C(F)(F)F)c1 | f949bf30def527d0bc9d3a92390a577e8ba957a89248cdc165c3deebd55556c9 | [
"O=C(NCc1cccc(F)c1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O",
"CCN(CC)c1ccc2cc(C(=O)c3cccs3)c(=O)oc2c1",
"CCCN1C(=O)S/C(=C\\c2ccc(N3CCOCC3)o2)C1=O",
"Cc1cccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c1",
"CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)C(CC(=O)NCCCN(C)C)C1",
"Cc1ccc(NC(=O)C(Cc2cccs2)=NC(=O)c2ccco2)cc1",
"Cc1c... | [
"8c006e3b93dd4345dba1bc9b63680e77c7e180a3efbb2868da70d4d8eb930b0e",
"85dd6a5635c639e2e0cb2a1249cb88ff4c945281183916057fbf906f5b597f81",
"6b7098d2a731e86aa3ed66fc4f8ecf063bc3d9285f24bc036af7bc00572584ee",
"f2d0979a759c3de79f6334146c00fc956bf186ca382f0c6df8ce8609deb5e124",
"82a171996b16eba9a4ddf78431abde5a002... | 1.253333 |
pubchem:720709 | O=C(NN=Cc1ccccc1O)c1cccc(C(F)(F)F)c1 | f949bf30def527d0bc9d3a92390a577e8ba957a89248cdc165c3deebd55556c9 | [
"N=C(NOC(=O)c1cccc(Br)c1)c1ccncc1",
"O=C(O)C=CC(=O)NNc1ccc([N+](=O)[O-])cc1",
"CCOC(=O)N1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1",
"CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)OCc2ccccc2)OCc2cn(nn2)CCCC1=O",
"Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1C",
"Cc1cccc(N2C(=O)c... | [
"fa7cc28058bb1e32c0f1fa67c3bb4bc15687f755ce91a7d6a7b82eef76f79131",
"e971cc2da988c478d405a87b96fd685e33aa3d0e58113d036c2cfa3945ab3d33",
"c0e90685605afedd1f1330530a49398e8de25fef3533c011e3f133d09b23d148",
"bcb14090feadf6124c4db3bf219f86032cdd8551e829fcafcc1572c1ef87d454",
"fcd993532c2b274e20aff333b6f9e2db447... | 1.253333 |
pubchem:720709 | CCOC(=O)c1sc2nc3c(SCC(=O)O)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2c1C | 3f76e5c029a86eeb9b2c4a3f34fe7a8aa9da568dc35c0d15748f088bebcf4166 | [
"N=C(NOC(=O)c1cccc(Br)c1)c1ccncc1",
"O=C(O)C=CC(=O)NNc1ccc([N+](=O)[O-])cc1",
"CCOC(=O)N1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1",
"CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)OCc2ccccc2)OCc2cn(nn2)CCCC1=O",
"Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1C",
"Cc1cccc(N2C(=O)c... | [
"fa7cc28058bb1e32c0f1fa67c3bb4bc15687f755ce91a7d6a7b82eef76f79131",
"e971cc2da988c478d405a87b96fd685e33aa3d0e58113d036c2cfa3945ab3d33",
"c0e90685605afedd1f1330530a49398e8de25fef3533c011e3f133d09b23d148",
"bcb14090feadf6124c4db3bf219f86032cdd8551e829fcafcc1572c1ef87d454",
"fcd993532c2b274e20aff333b6f9e2db447... | 1.251667 |
pubchem:720709 | CCOC(=O)c1sc2nc3c(SCC(=O)O)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2c1C | 3f76e5c029a86eeb9b2c4a3f34fe7a8aa9da568dc35c0d15748f088bebcf4166 | [
"Cc1cccc(-n2cnc3cc([N+](=O)[O-])ccc32)c1",
"COc1ccc(N2C(=O)NC(=O)/C(=C\\c3cn(C)c4ccccc34)C2=O)cc1",
"Cn1cccc1/C=C1\\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O",
"C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)NC1CCCCC1",
"COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(O... | [
"e617a2f9fe11eda164d5e1d3d1e29354dd65ea91b46fb947d62f17346594fdb4",
"4d708f688518c743416c34e14d85b3dd3f65dd0f9ff3b0b4a3278ecdeed11260",
"067e3b03cf230b8241a4e15ea25f7dfaf666f3763efd898c291f290bb733ca54",
"d14b5474316650230a06653f7cd8bb930cfcea4b6350f4ef4037d3c3a78f491c",
"d2abc1751b0896f04b400bd18b627b0e02d... | 1.251667 |
pubchem:720709 | O=C1C(=O)c2ccccc2-c2ccccc21 | 1824f764a88ddd93ec96a4f2707a509f5650a7f686d4d99097dfd9c256960c38 | [
"Cc1cccc(-n2cnc3cc([N+](=O)[O-])ccc32)c1",
"COc1ccc(N2C(=O)NC(=O)/C(=C\\c3cn(C)c4ccccc34)C2=O)cc1",
"Cn1cccc1/C=C1\\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O",
"C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)NC1CCCCC1",
"COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(O... | [
"e617a2f9fe11eda164d5e1d3d1e29354dd65ea91b46fb947d62f17346594fdb4",
"4d708f688518c743416c34e14d85b3dd3f65dd0f9ff3b0b4a3278ecdeed11260",
"067e3b03cf230b8241a4e15ea25f7dfaf666f3763efd898c291f290bb733ca54",
"d14b5474316650230a06653f7cd8bb930cfcea4b6350f4ef4037d3c3a78f491c",
"d2abc1751b0896f04b400bd18b627b0e02d... | 1.251667 |
pubchem:720709 | O=C1C(=O)c2ccccc2-c2ccccc21 | 1824f764a88ddd93ec96a4f2707a509f5650a7f686d4d99097dfd9c256960c38 | [
"CC(C)NCC(=O)Nc1c2c(nc3ccccc13)CCC2",
"Cc1ccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)cc1",
"N=C(NOC(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1",
"S=c1[nH]nc(-c2ccco2)n1/N=C/C=C/c1ccco1",
"O=C(O)C(c1ccccc1)N1C(=O)/C(=C\\c2ccc(-c3ccccc3Cl)o2)SC1=S",
"COc1ccccc1NC(=O)N(C)C[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@@H]1C",
... | [
"a6d9214a6356ea5d45ebe86f9327da988ebff44c12cb458285b7b4d4932fefe5",
"194a272e3b8f2d10d8ec37d0f2c3acc0d01ce469a99a60474cc5ad3e1cca481f",
"aa2423e6aae394d2079e0d4c0247db1b6e68001a0adf4ccf393ddfc404b9a28b",
"22297cc13a723c4d732b7a0faa734e80b82b5f6d0acc73a1e81786cc2d27add8",
"c7c6fc24f1d8cc6fb4dad7ed6056637bb62... | 1.251667 |
pubchem:720709 | CCc1ccc(CNc2ccc(O)cc2)cc1 | 1d099e272ccefadac4ffa63aa04fd696f6916f1cacc9101e26fa8116cf94e366 | [
"CC(C)NCC(=O)Nc1c2c(nc3ccccc13)CCC2",
"Cc1ccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)cc1",
"N=C(NOC(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1",
"S=c1[nH]nc(-c2ccco2)n1/N=C/C=C/c1ccco1",
"O=C(O)C(c1ccccc1)N1C(=O)/C(=C\\c2ccc(-c3ccccc3Cl)o2)SC1=S",
"COc1ccccc1NC(=O)N(C)C[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@@H]1C",
... | [
"a6d9214a6356ea5d45ebe86f9327da988ebff44c12cb458285b7b4d4932fefe5",
"194a272e3b8f2d10d8ec37d0f2c3acc0d01ce469a99a60474cc5ad3e1cca481f",
"aa2423e6aae394d2079e0d4c0247db1b6e68001a0adf4ccf393ddfc404b9a28b",
"22297cc13a723c4d732b7a0faa734e80b82b5f6d0acc73a1e81786cc2d27add8",
"c7c6fc24f1d8cc6fb4dad7ed6056637bb62... | 1.251667 |
pubchem:720709 | CCc1ccc(CNc2ccc(O)cc2)cc1 | 1d099e272ccefadac4ffa63aa04fd696f6916f1cacc9101e26fa8116cf94e366 | [
"COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC",
"C=c1c(=Cc2[nH]c(=O)n(Cc3ccccc3F)c2O)cc(C)n1C(C)C",
"CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C",
"O=C(O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl",
"COc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1",
"CCN1CCN(Cc2c(O)ccc3c2O/C(=C\... | [
"2053d3e6433600c00d6a2fc241bb1033d386c8e79e8f097c0a38cfd2f0c275c8",
"8b85724648fa0abc0f20c6613de4c2d99b8348b4e0e04d401a37822971bb347b",
"d959147ea5a4927e8f5fd3f5e7c4a472d23000db612703ade63eb76b6eb4cce9",
"e6daf6c32dc9278003e4820b25cf4061148ae696d2d318b421ab08112535d62e",
"0a8764b8bf2dc2e663a6cfe947bd7120104... | 1.251667 |
pubchem:720709 | COc1ccc(OC)c(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 | 1ea073da6baad437904d1abe3621379f97624c993e097dcbc8887a77c04ddf8a | [
"COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC",
"C=c1c(=Cc2[nH]c(=O)n(Cc3ccccc3F)c2O)cc(C)n1C(C)C",
"CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C",
"O=C(O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl",
"COc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1",
"CCN1CCN(Cc2c(O)ccc3c2O/C(=C\... | [
"2053d3e6433600c00d6a2fc241bb1033d386c8e79e8f097c0a38cfd2f0c275c8",
"8b85724648fa0abc0f20c6613de4c2d99b8348b4e0e04d401a37822971bb347b",
"d959147ea5a4927e8f5fd3f5e7c4a472d23000db612703ade63eb76b6eb4cce9",
"e6daf6c32dc9278003e4820b25cf4061148ae696d2d318b421ab08112535d62e",
"0a8764b8bf2dc2e663a6cfe947bd7120104... | 1.251667 |
pubchem:720709 | COc1ccc(OC)c(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 | 1ea073da6baad437904d1abe3621379f97624c993e097dcbc8887a77c04ddf8a | [
"Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1",
"COc1ccc(-n2nc3c(N4CCC(C(=O)NC5CCCCC5)CC4)nnc(C)c3c2C)cc1",
"Cc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21",
"CC1=NCCc2c1[nH]c1cc(O)ccc21",
"CN(CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1",
"COc1cccc(NC(=O)N(C)C[C@H]2Oc3ncc(Br)cc3C(=O)N([C@H](C)CO... | [
"6e4c951fe62a03fcc0aff75dce2e6cb0ef305c239ff73e244d19eb37596f81b9",
"5a9e1477783ebc000a62b0393c336e0e053aaaea1b4a7c9bc80db3e89962de76",
"b3567a4f197415339ed0902693e9702ce6fb15136c397ef617ec7bccc5ee63a6",
"883bfed2afda84cdfcbc0e848cd298ee5e0ae93975e06076f9b4ca51cf1268ea",
"4502044d9e5d2a5cc65fac78587447f8603... | 1.251667 |
pubchem:720709 | Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O)O | 051980190f03d79adedf5fa089ea840613a5d6ac5f366be53e141827f48bbc4e | [
"Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1",
"COc1ccc(-n2nc3c(N4CCC(C(=O)NC5CCCCC5)CC4)nnc(C)c3c2C)cc1",
"Cc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21",
"CC1=NCCc2c1[nH]c1cc(O)ccc21",
"CN(CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1",
"COc1cccc(NC(=O)N(C)C[C@H]2Oc3ncc(Br)cc3C(=O)N([C@H](C)CO... | [
"6e4c951fe62a03fcc0aff75dce2e6cb0ef305c239ff73e244d19eb37596f81b9",
"5a9e1477783ebc000a62b0393c336e0e053aaaea1b4a7c9bc80db3e89962de76",
"b3567a4f197415339ed0902693e9702ce6fb15136c397ef617ec7bccc5ee63a6",
"883bfed2afda84cdfcbc0e848cd298ee5e0ae93975e06076f9b4ca51cf1268ea",
"4502044d9e5d2a5cc65fac78587447f8603... | 1.25 |
pubchem:720709 | Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O)O | 051980190f03d79adedf5fa089ea840613a5d6ac5f366be53e141827f48bbc4e | [
"CC(=O)Nc1ccc(N=Cc2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1",
"N#CCC(=O)N1CCN(C=O)CC1",
"O=C(Cc1cccs1)NC1(C(=O)NC2CCCC2)CCCCC1",
"Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2Br)c(=O)n(-c2ccccc2)n1C",
"CCCC1NC(=O)c2cccnc2-n2c1nc1ccc(C)cc1c2=O",
"O=C(NCc1ccc(F)cc1)C(c1cccnc1)N(C(=O)c1csnn1)c1ccccc1",
"COc1ccccc1C(NC(C)=O)c... | [
"5288c5e1eac4bda61d6f058149cfc87a5a9f42c8b359431e5f47a1d84d9dd73c",
"a9e722ec35a3d2bceeef9aadfdc3891c25e017c4f6cbce826bd4a26d6fab70d0",
"33ac80b2b931d565a5362dbc8f736d81ffdec6001db5eb2d5d8874e43ce0312b",
"55400efd838d03590840e72f34e7c0ae992d5a45a7af5e3f1c191c439ac40bcc",
"4b634a910b27158b3b4a3f60e62445fbf75... | 1.25 |
pubchem:720709 | Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cn(Cc2cccc3ccccc23)c2ccccc12 | 4aec523601b861d048265356bb298c6682f832681443e640e7e8faf4c3092037 | [
"CC(=O)Nc1ccc(N=Cc2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1",
"N#CCC(=O)N1CCN(C=O)CC1",
"O=C(Cc1cccs1)NC1(C(=O)NC2CCCC2)CCCCC1",
"Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2Br)c(=O)n(-c2ccccc2)n1C",
"CCCC1NC(=O)c2cccnc2-n2c1nc1ccc(C)cc1c2=O",
"O=C(NCc1ccc(F)cc1)C(c1cccnc1)N(C(=O)c1csnn1)c1ccccc1",
"COc1ccccc1C(NC(C)=O)c... | [
"5288c5e1eac4bda61d6f058149cfc87a5a9f42c8b359431e5f47a1d84d9dd73c",
"a9e722ec35a3d2bceeef9aadfdc3891c25e017c4f6cbce826bd4a26d6fab70d0",
"33ac80b2b931d565a5362dbc8f736d81ffdec6001db5eb2d5d8874e43ce0312b",
"55400efd838d03590840e72f34e7c0ae992d5a45a7af5e3f1c191c439ac40bcc",
"4b634a910b27158b3b4a3f60e62445fbf75... | 1.25 |
pubchem:720709 | Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cn(Cc2cccc3ccccc23)c2ccccc12 | 4aec523601b861d048265356bb298c6682f832681443e640e7e8faf4c3092037 | [
"Nc1ccn(CCCN2CCN(C(=O)C3CC3)CC2)c(=O)n1",
"O=C(NNc1ccccc1)C(=O)NNc1ccccc1",
"COc1ccc(-c2noc3c2-c2nc(-c4ccccc4F)sc2CC3)cc1",
"COc1ccc(NC(=O)N(C)C[C@@H]2Oc3ncc(Br)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1",
"S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1",
"COc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1",
"COC(=O)c1cc(C(=O)Nc2nnc(CC(C)C... | [
"3f8d6a261040b15cd768f62ed3a27014f3b1b308709008b9706e2308d22a3c22",
"31c7207832d3641ee36a130df59c70da1b0df3a942c102608c8bad309f87f455",
"bba2dbec6dda9cb2213d28172d0e3dce87256db65737ad2a786d8183eed070c4",
"0c1258ab0bbd7a75b171c4f6a6617d4fe2bf883411743981a7a703200bbe3622",
"1c1aa9614db1e7d095dbc528a068c985a79... | 1.25 |
pubchem:720709 | CCC1CCCCN1CCCNC(=O)CCC(=O)N1CC(C)Oc2ccccc21 | 0a859ad9f9f4112b16badb4e0d81d0caae35cf322b68fcf6f0570360a353cf1d | [
"Nc1ccn(CCCN2CCN(C(=O)C3CC3)CC2)c(=O)n1",
"O=C(NNc1ccccc1)C(=O)NNc1ccccc1",
"COc1ccc(-c2noc3c2-c2nc(-c4ccccc4F)sc2CC3)cc1",
"COc1ccc(NC(=O)N(C)C[C@@H]2Oc3ncc(Br)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1",
"S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1",
"COc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1",
"COC(=O)c1cc(C(=O)Nc2nnc(CC(C)C... | [
"3f8d6a261040b15cd768f62ed3a27014f3b1b308709008b9706e2308d22a3c22",
"31c7207832d3641ee36a130df59c70da1b0df3a942c102608c8bad309f87f455",
"bba2dbec6dda9cb2213d28172d0e3dce87256db65737ad2a786d8183eed070c4",
"0c1258ab0bbd7a75b171c4f6a6617d4fe2bf883411743981a7a703200bbe3622",
"1c1aa9614db1e7d095dbc528a068c985a79... | 1.25 |
pubchem:720709 | CCC1CCCCN1CCCNC(=O)CCC(=O)N1CC(C)Oc2ccccc21 | 0a859ad9f9f4112b16badb4e0d81d0caae35cf322b68fcf6f0570360a353cf1d | [
"O=C(O)COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1",
"CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1",
"COc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)C32)cc1OC",
"N#C/C(=C\\c1coc2ccc(O)cc2c1=O)C(=O)Nc1nc2ccccc2s1",
"CCCCCCN[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C",
"CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)C... | [
"fce73941a993126d35877651c27018b3a63fa29b02e60d304368fafe917fa03f",
"5150d21b70898f4d7954d0158f4fbc3ec7691fad6f482d338e8a7e65ccaf922d",
"56e9dacb1ecdf2d7c7c8b74183c48566f04dfc50eb807ce5b7263f998238db7a",
"f341c783d8e0fd15ee3cfe55f0594bffaf5a3ba79139dae6278b624d1b9e9532",
"3b9e1b11b1c910ddf5fcb1e1d5f95414eb3... | 1.25 |
pubchem:720709 | CC(/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O)=C\c1ccccc1 | 34fe336dd76070cb1ae30e4e6fe53084528c16de08c1b2d438be7336646f7171 | [
"O=C(O)COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1",
"CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1",
"COc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)C32)cc1OC",
"N#C/C(=C\\c1coc2ccc(O)cc2c1=O)C(=O)Nc1nc2ccccc2s1",
"CCCCCCN[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C",
"CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)C... | [
"fce73941a993126d35877651c27018b3a63fa29b02e60d304368fafe917fa03f",
"5150d21b70898f4d7954d0158f4fbc3ec7691fad6f482d338e8a7e65ccaf922d",
"56e9dacb1ecdf2d7c7c8b74183c48566f04dfc50eb807ce5b7263f998238db7a",
"f341c783d8e0fd15ee3cfe55f0594bffaf5a3ba79139dae6278b624d1b9e9532",
"3b9e1b11b1c910ddf5fcb1e1d5f95414eb3... | 1.25 |
pubchem:720709 | CC(/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O)=C\c1ccccc1 | 34fe336dd76070cb1ae30e4e6fe53084528c16de08c1b2d438be7336646f7171 | [
"O=C1/C(=C\\c2ccc(Br)o2)Cc2ccccc21",
"O=C(OCC(=O)N1CCc2ccccc21)c1n[nH]c(=O)c2ccccc12",
"Cc1c(Cl)cccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1",
"CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2O)cc1",
"NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1Cl",
"CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCC(C)C2C)C1",
"O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-... | [
"fdabbe5168d522fffb3be4ef2423876d306d11ed33d497672ffc613d43b1f405",
"d0229899435ead6dacbf85f3cc048f548fc9b7bca6d4c446ae2fa8692647bdc2",
"050fad11d2d12ce7275a8f66d17786b79fc72a28ceda928a746f5e3d2937ba97",
"a1a444f579cbab5d020eb174c76a2ad46e650aacf528cf63374f4559ade4ff22",
"9b0f7e931021ee789acbc9c86bb1d1358ab... | 1.25 |
pubchem:720709 | COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 | bbe2988cac0b721a1a1430886a4abe86586b4026d4aaa1e3288ac5e3afd25231 | [
"O=C1/C(=C\\c2ccc(Br)o2)Cc2ccccc21",
"O=C(OCC(=O)N1CCc2ccccc21)c1n[nH]c(=O)c2ccccc12",
"Cc1c(Cl)cccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1",
"CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2O)cc1",
"NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1Cl",
"CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCC(C)C2C)C1",
"O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-... | [
"fdabbe5168d522fffb3be4ef2423876d306d11ed33d497672ffc613d43b1f405",
"d0229899435ead6dacbf85f3cc048f548fc9b7bca6d4c446ae2fa8692647bdc2",
"050fad11d2d12ce7275a8f66d17786b79fc72a28ceda928a746f5e3d2937ba97",
"a1a444f579cbab5d020eb174c76a2ad46e650aacf528cf63374f4559ade4ff22",
"9b0f7e931021ee789acbc9c86bb1d1358ab... | 1.25 |
pubchem:720709 | COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1 | bbe2988cac0b721a1a1430886a4abe86586b4026d4aaa1e3288ac5e3afd25231 | [
"CCc1ccc[n+](-c2[nH]c(=O)sc2C=NN=C([S-])Nc2ccccc2)c1",
"CC(C)(C)NC(=O)NCC1CCCC1NC(=O)NC(C)(C)C",
"CC(CC(=O)Nc1ccc2ccccc2c1)=NNC(=O)c1cnccn1",
"O=C(NC1CC1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O",
"CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1",
"O=c1oc2ccccc2cc1-c1nc(-c2cccs2)cs1",
"COc1... | [
"d20c0c814d4cebc5414a1753325fa0055d3381c9b872292744a32f30f76df226",
"d8b0e52ffaa33e961c91bc6cefb5e012a281437699ba8877a50c39e0f2cfb05d",
"324d87dfec47fb9ee9fa6813966f2e73184df2b6cd8a8072e90f6302458a9cf7",
"fa105ab41f12343fadfdef4f1db65d6a98feaf5559bbb56b24d58d7407567cd2",
"f776e39e6ae041ed3d8bb4b7f9df1304f60... | 1.25 |
pubchem:720709 | COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1 | c6b74171ca3e8012425ff8dd6ada529cd884c069e794c05ba2ec9ba98822eb24 | [
"CCc1ccc[n+](-c2[nH]c(=O)sc2C=NN=C([S-])Nc2ccccc2)c1",
"CC(C)(C)NC(=O)NCC1CCCC1NC(=O)NC(C)(C)C",
"CC(CC(=O)Nc1ccc2ccccc2c1)=NNC(=O)c1cnccn1",
"O=C(NC1CC1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O",
"CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1",
"O=c1oc2ccccc2cc1-c1nc(-c2cccs2)cs1",
"COc1... | [
"d20c0c814d4cebc5414a1753325fa0055d3381c9b872292744a32f30f76df226",
"d8b0e52ffaa33e961c91bc6cefb5e012a281437699ba8877a50c39e0f2cfb05d",
"324d87dfec47fb9ee9fa6813966f2e73184df2b6cd8a8072e90f6302458a9cf7",
"fa105ab41f12343fadfdef4f1db65d6a98feaf5559bbb56b24d58d7407567cd2",
"f776e39e6ae041ed3d8bb4b7f9df1304f60... | 1.25 |
pubchem:720709 | COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1 | c6b74171ca3e8012425ff8dd6ada529cd884c069e794c05ba2ec9ba98822eb24 | [
"CSc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1",
"COc1ccc(CCNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c(OC)c1",
"COc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C(F)(F)F)cc4)c4c3c(O)n(C)c4O)C2=O)cc1",
"Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Br)cc1Cl",
"Cc1noc(C)c1C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@... | [
"610f68c98bbca26f067a8937add87232021299ec41f05dfd9b1b080e412508ea",
"a6ec112a8c20e91bcbde42a69b3ab46919a2ea67f2db58b0f74c6f998c8d1c7c",
"fce1ebe6ab7f809d07c820a0d42bfdcc5b6684d90a9ed60fcdee744b78e3e8db",
"d16e9b112707d255222206a35274216283f28385c15bce2f578338692c5fa20f",
"e6cc98c84db4b12d42f65d68a047652ee2a... | 1.25 |
pubchem:720709 | CC(CCC(C)C(C)(C)C)[C@@H]1CC[C@H]2C3C[C@H](OS(O)(=S)=S)[C@H]4C[C@H](OS(O)(=S)=S)[C@@H](OS(O)(=S)=S)C[C@]4(C)[C@H]3CC[C@]12C | e75cd3302a245c6a80bf80459b8b4f4bee9fc7b483502e1e4e8426ab0e549b3f | [
"CSc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1",
"COc1ccc(CCNC(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c(OC)c1",
"COc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C(F)(F)F)cc4)c4c3c(O)n(C)c4O)C2=O)cc1",
"Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Br)cc1Cl",
"Cc1noc(C)c1C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@... | [
"610f68c98bbca26f067a8937add87232021299ec41f05dfd9b1b080e412508ea",
"a6ec112a8c20e91bcbde42a69b3ab46919a2ea67f2db58b0f74c6f998c8d1c7c",
"fce1ebe6ab7f809d07c820a0d42bfdcc5b6684d90a9ed60fcdee744b78e3e8db",
"d16e9b112707d255222206a35274216283f28385c15bce2f578338692c5fa20f",
"e6cc98c84db4b12d42f65d68a047652ee2a... | 1.25 |
pubchem:720709 | CC(CCC(C)C(C)(C)C)[C@@H]1CC[C@H]2C3C[C@H](OS(O)(=S)=S)[C@H]4C[C@H](OS(O)(=S)=S)[C@@H](OS(O)(=S)=S)C[C@]4(C)[C@H]3CC[C@]12C | e75cd3302a245c6a80bf80459b8b4f4bee9fc7b483502e1e4e8426ab0e549b3f | [
"CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1",
"CN1CCC=C1C=Cc1sc(=S)[nH]c1O",
"CCCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O",
"CC1C/C(=C/c2cccn2C)C(=O)/C(=C/c2cccn2C)C1",
"COc1ccccc1N1C(C)=CC(=C(C#N)c2nc3ccccc3s2)C=C1C",
"COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc32)cc1",
"Cn1c(=O)... | [
"6d4695991f37fe70a44d1601efcf5cdaec3e20825df196f34bbbd11ae2c3a97f",
"e3d213d31d4db02d9d1a2f82d8f19d8f1c72d41d0fae31163f12f58f7669757a",
"0da0fdf1f9455ec27caeea247eec3c30293889930f64c04f9bf85d655eb1072b",
"c436a822f60de380b1d6c47f1c3e29f63a609bebeaca2b9a36a479ed3c04b50f",
"154dcf76513686330d1ac6190326bf59cf3... | 1.25 |
pubchem:720709 | COc1ccc(CCC(=O)Nc2c(-c3ccc(N(C)C)cc3)[nH][nH]c2=O)cc1 | ff41c6cfa5a88c5fd488497f40755c6f8f4d19756e8ffe66d2a6b0bb8a78812a | [
"CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1",
"CN1CCC=C1C=Cc1sc(=S)[nH]c1O",
"CCCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O",
"CC1C/C(=C/c2cccn2C)C(=O)/C(=C/c2cccn2C)C1",
"COc1ccccc1N1C(C)=CC(=C(C#N)c2nc3ccccc3s2)C=C1C",
"COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc32)cc1",
"Cn1c(=O)... | [
"6d4695991f37fe70a44d1601efcf5cdaec3e20825df196f34bbbd11ae2c3a97f",
"e3d213d31d4db02d9d1a2f82d8f19d8f1c72d41d0fae31163f12f58f7669757a",
"0da0fdf1f9455ec27caeea247eec3c30293889930f64c04f9bf85d655eb1072b",
"c436a822f60de380b1d6c47f1c3e29f63a609bebeaca2b9a36a479ed3c04b50f",
"154dcf76513686330d1ac6190326bf59cf3... | 1.25 |
pubchem:720709 | COc1ccc(CCC(=O)Nc2c(-c3ccc(N(C)C)cc3)[nH][nH]c2=O)cc1 | ff41c6cfa5a88c5fd488497f40755c6f8f4d19756e8ffe66d2a6b0bb8a78812a | [
"CN1/C(=C/C=C(C#N)C#N)C=Cc2ccccc21",
"CN1C(=O)c2cccc3c(N)ccc(c23)C1=O",
"Cc1cccc(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1",
"COc1ccc(C(NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1",
"CC(=O)N1N=C2C3CCN(CC3)C2C1c1ccc(Br)cc1",
"Cc1cc2nc3c(=O)n(Cc4ccccc4)c(=O)[nH]c3nc2cc1N",
"C/C(=N\\NC(=O)c1ccn(C)n1)c1cccc(NC(=O... | [
"85010bc26957dcb9139e25e280ea84c6d2ddb82ef3468efe2a5d54f3d13c6ffc",
"97400a730505bdb78e30887a4cca32f7307eff942930a35521f8082822c29379",
"810f6ff5088565e42c356fa8ffaba4f05ac6425720e11a3a085ddb60211d91cc",
"1d8707afa883236a9d7e50493d0e8096c2d94824104d95d9f743bfb565087f0f",
"29d7b07ca6731943dce35f53110054fe749... | 1.25 |
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