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:743280 | CCOc1ccccc1NC(=O)CCCN1C(=S)NC(C)(C)CC1C | 1e536aed40f5f94b27a1698da06f2d2973726c56b4b6b217048ddddabe0401f6 | [
"O=C(CCSCCc1ccccn1)Nc1cc(F)ccc1F",
"N=C(N)SCc1ccccc1Cl",
"CC1CCCN(C(=S)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1",
"COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cccc5[nH]ccc45)ccc3n2C)c1",
"OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1",
"CC(C)c1onc(C(=O)N(C)Cc2ccccc2)c1[N+](=O)[O-]",
"COc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC"
] | [
"f79282a3233ef9314bcde71314d9b1f4a2ff83e3022f1770bf792f5c9002390a",
"eae42182a3098afe560e740da605d2156604564d9bc903139599062674602c99",
"703309fdb8aac59256c46fb3aa9c324d6974eec5dc2c90efb2fc132d93203a7f",
"2f1d4574c8ccf80bf484122fb5fd8ffb367569bad9557264ec4b2f9229484a76",
"0c3d996b3560bff979850983b56aa008c99... | 1 |
pubchem:743280 | CCOc1ccccc1NC(=O)CCCN1C(=S)NC(C)(C)CC1C | 1e536aed40f5f94b27a1698da06f2d2973726c56b4b6b217048ddddabe0401f6 | [
"Cc1ccc(C2CCN(C(=S)NC(C)C)C2)cc1",
"CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)c3ccccc3n2)cc1",
"COC(=O)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl",
"CS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1",
"CC1CCN(CCCCOc2ccc(Br)cc2)CC1",
"COc1ccc(OC)c(NC(=O)Nc2nc(C(N)CCc3ccccc3)cs2)c1",
"COc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1OC"
] | [
"ba74ec233cbc97a0d3a9d6c1da9f679e48dac5a3339cd880e4d1966b8a25304d",
"7fd213e9f11141752bac0b9709abe523ecc02ffbf6e474db8684ed9cb28e866f",
"2c9d3b7286765550381f18453f995228e2950d67a8b0f9cfe9e657a9fa0f42f5",
"6b5983f9e75d77fc9fe9ae87e29b31f9125f119f69c06ec1c6f13fe878cc4ea3",
"0c41e8056e67b347de9b5aa95945821042c... | 1 |
pubchem:743280 | COc1ccc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1 | afa62115fc9bba57751abd4ffe2f277b93e8b0eeb5e72dd510eaaf30d9f2860f | [
"Cc1ccc(C2CCN(C(=S)NC(C)C)C2)cc1",
"CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)c3ccccc3n2)cc1",
"COC(=O)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl",
"CS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1",
"CC1CCN(CCCCOc2ccc(Br)cc2)CC1",
"COc1ccc(OC)c(NC(=O)Nc2nc(C(N)CCc3ccccc3)cs2)c1",
"COc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1OC"
] | [
"ba74ec233cbc97a0d3a9d6c1da9f679e48dac5a3339cd880e4d1966b8a25304d",
"7fd213e9f11141752bac0b9709abe523ecc02ffbf6e474db8684ed9cb28e866f",
"2c9d3b7286765550381f18453f995228e2950d67a8b0f9cfe9e657a9fa0f42f5",
"6b5983f9e75d77fc9fe9ae87e29b31f9125f119f69c06ec1c6f13fe878cc4ea3",
"0c41e8056e67b347de9b5aa95945821042c... | 1 |
pubchem:743280 | COc1ccc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1 | afa62115fc9bba57751abd4ffe2f277b93e8b0eeb5e72dd510eaaf30d9f2860f | [
"C=CCn1c(SCc2n[nH]c(=S)n2-c2ccccc2)nnc1-c1ccccc1",
"COc1ccccc1OCC(=O)OCn1c(SC)nnc(C)c1=O",
"Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)n(C)c1=O",
"CCNC1CCS(=O)(=O)C1",
"CCN(CC)CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2",
"CSc1ccc(NC(=O)/C=C/C(=O)O)cc1",
"COC(=O)c1sc(C(C)(C)C)cc1CSc1ccccc1"
] | [
"55b43a13b65dd4f732ce3be13960f7fd0ec6a211d566bc5c2fd489299a250083",
"76a0a33b3ae1346ec015a0faf1a68f00acde995ffe71789b356b0143309086c6",
"efd58ba3c6565f7f2c00087e37e050f9a4276628b4dc0ffef65c0041eb57e8a6",
"291fb8172c587ff56293d07e32f0486ff42c1c1252acee5960a5e60154a3c502",
"3410e04c88558b2eecc4d5e352b0ea41cdf... | 1 |
pubchem:743280 | O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NNC(=S)Nc1ccccc1 | be65b88554435d32e68b5523ab8aa307c0d44e713eb7f65e5e7a68d6b7d4b40e | [
"C=CCn1c(SCc2n[nH]c(=S)n2-c2ccccc2)nnc1-c1ccccc1",
"COc1ccccc1OCC(=O)OCn1c(SC)nnc(C)c1=O",
"Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)n(C)c1=O",
"CCNC1CCS(=O)(=O)C1",
"CCN(CC)CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2",
"CSc1ccc(NC(=O)/C=C/C(=O)O)cc1",
"COC(=O)c1sc(C(C)(C)C)cc1CSc1ccccc1"
] | [
"55b43a13b65dd4f732ce3be13960f7fd0ec6a211d566bc5c2fd489299a250083",
"76a0a33b3ae1346ec015a0faf1a68f00acde995ffe71789b356b0143309086c6",
"efd58ba3c6565f7f2c00087e37e050f9a4276628b4dc0ffef65c0041eb57e8a6",
"291fb8172c587ff56293d07e32f0486ff42c1c1252acee5960a5e60154a3c502",
"3410e04c88558b2eecc4d5e352b0ea41cdf... | 1 |
pubchem:743280 | O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NNC(=S)Nc1ccccc1 | be65b88554435d32e68b5523ab8aa307c0d44e713eb7f65e5e7a68d6b7d4b40e | [
"CCOC(=O)c1sc(NC(=S)NC(=O)c2ccco2)nc1C",
"CC(=O)c1nnn(-c2ccc(Cl)cc2C#N)c1C",
"S=C1NC2(CCCCC2)Cc2ccccc21",
"FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1",
"COCCCNCCCCSc1ccc(Cl)cc1",
"CC(C)Sc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1",
"CCCCOc1ccc(C(C)NC(=O)C2CCCN(S(=O)(=O)CCC)C2)cc1"
] | [
"ecf54c7470a9a260d5d90f350ef4f4dc43214f06c423d98a6221318ad9d1e7ee",
"0eceaaad83ddb69ed147b6200667c1435dfd9794e35b6b00735271683661e336",
"b10c9513d0262ed5615314d553773c3b1438efa098a10f901f4c844b2cb54483",
"8b9bc914198255b7213fba6d5e03d48bb524ccc092603037228bd1719d56ff82",
"c716f50662d3b923382919b25550c058665... | 1 |
pubchem:743280 | O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21 | 80711006d3b4312da452bdad701197a19ecbe089e151aa54b4bb93e92a6da0d7 | [
"CCOC(=O)c1sc(NC(=S)NC(=O)c2ccco2)nc1C",
"CC(=O)c1nnn(-c2ccc(Cl)cc2C#N)c1C",
"S=C1NC2(CCCCC2)Cc2ccccc21",
"FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1",
"COCCCNCCCCSc1ccc(Cl)cc1",
"CC(C)Sc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1",
"CCCCOc1ccc(C(C)NC(=O)C2CCCN(S(=O)(=O)CCC)C2)cc1"
] | [
"ecf54c7470a9a260d5d90f350ef4f4dc43214f06c423d98a6221318ad9d1e7ee",
"0eceaaad83ddb69ed147b6200667c1435dfd9794e35b6b00735271683661e336",
"b10c9513d0262ed5615314d553773c3b1438efa098a10f901f4c844b2cb54483",
"8b9bc914198255b7213fba6d5e03d48bb524ccc092603037228bd1719d56ff82",
"c716f50662d3b923382919b25550c058665... | 1 |
pubchem:743280 | O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21 | 80711006d3b4312da452bdad701197a19ecbe089e151aa54b4bb93e92a6da0d7 | [
"COc1ccc(NC(=O)N2CCCCC2c2cccnc2)cc1",
"CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1",
"COC(=O)c1ccc(NC(=O)CNCc2ccncc2)cc1",
"CC(C)N=C1NN=C(c2cccs2)C(CC(=O)O)S1",
"CC(=O)NN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S",
"CCCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1",
"Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12"
] | [
"7b51fa222247b42502522d2564e828ca4c0dd42f9c89fadb15925fef3acc673f",
"aa852d0f24f6e9d6c88173963803606bca7ff303fad0314aef62202b007a3cc4",
"38d9ed37321131e72746eb37a8d178e8f6c09400f847f2f47b2f22c95af5bc32",
"cd0c89726c6afdb7744e0d093b5e8b3a8e7c7c249c6c7d284ad640350a648f3b",
"a20c4f9acb64aeb873f1944922a107905bf... | 1 |
pubchem:743280 | Cc1ccc(Nc2n[nH]c(=S)s2)c(C)c1 | e0b8233fda4d603b089ac8005169c0191197a36d15ab1515130bd18cbd53b4b1 | [
"COc1ccc(NC(=O)N2CCCCC2c2cccnc2)cc1",
"CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1",
"COC(=O)c1ccc(NC(=O)CNCc2ccncc2)cc1",
"CC(C)N=C1NN=C(c2cccs2)C(CC(=O)O)S1",
"CC(=O)NN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S",
"CCCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1",
"Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12"
] | [
"7b51fa222247b42502522d2564e828ca4c0dd42f9c89fadb15925fef3acc673f",
"aa852d0f24f6e9d6c88173963803606bca7ff303fad0314aef62202b007a3cc4",
"38d9ed37321131e72746eb37a8d178e8f6c09400f847f2f47b2f22c95af5bc32",
"cd0c89726c6afdb7744e0d093b5e8b3a8e7c7c249c6c7d284ad640350a648f3b",
"a20c4f9acb64aeb873f1944922a107905bf... | 1 |
pubchem:743280 | Cc1ccc(Nc2n[nH]c(=S)s2)c(C)c1 | e0b8233fda4d603b089ac8005169c0191197a36d15ab1515130bd18cbd53b4b1 | [
"CCCCN(CCCC)C(=S)NC(=O)c1ccccc1Cl",
"Clc1ccc2c(c1)Nc1ccccc1CC2",
"COc1ccc(N2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1",
"COc1cc(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C32)ccc1OC(C)=O",
"CCOC12CC(C)(C)CC(C)(C=C3CC(C)(C)CC(=O)C31)C2",
"COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6F)c5c4)cc32)cc1",
"CC(C)c1ccc(C2NC(=S)N=C3CCCC... | [
"e6f7a2d408e42788c6fd30f9dcb785d7d25a4b7a217129d712021b12b1ce5aed",
"1f1291a27694458adeb9bcb93ed25e4990af8441b0376d7569d47e6022daec09",
"508cc8af5a60a02e19d1e20bc8d8ecbae9a0ef575d0d47172f07e2a4280e18d2",
"599f81caf8a5ddbc751f028a5cfb05c8430cf395bcb7e91627eeed420dd4ca42",
"64e75d0e95aca3f861b2380bc8688255df5... | 1 |
pubchem:743280 | Cc1cc(C)c2nc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1 | 54707b757cad5564bc730fb74ffc1593687a93814babdf602d85ca98aab74acd | [
"CCCCN(CCCC)C(=S)NC(=O)c1ccccc1Cl",
"Clc1ccc2c(c1)Nc1ccccc1CC2",
"COc1ccc(N2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1",
"COc1cc(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C32)ccc1OC(C)=O",
"CCOC12CC(C)(C)CC(C)(C=C3CC(C)(C)CC(=O)C31)C2",
"COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6F)c5c4)cc32)cc1",
"CC(C)c1ccc(C2NC(=S)N=C3CCCC... | [
"e6f7a2d408e42788c6fd30f9dcb785d7d25a4b7a217129d712021b12b1ce5aed",
"1f1291a27694458adeb9bcb93ed25e4990af8441b0376d7569d47e6022daec09",
"508cc8af5a60a02e19d1e20bc8d8ecbae9a0ef575d0d47172f07e2a4280e18d2",
"599f81caf8a5ddbc751f028a5cfb05c8430cf395bcb7e91627eeed420dd4ca42",
"64e75d0e95aca3f861b2380bc8688255df5... | 1 |
pubchem:743280 | Cc1cc(C)c2nc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1 | 54707b757cad5564bc730fb74ffc1593687a93814babdf602d85ca98aab74acd | [
"CCCn1c(=S)[nH]c2cc(Cl)ccc21",
"CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1",
"CC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O",
"O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1ccco1",
"CCOC(=O)C1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C",
"N#Cc1c2c(c[nH]c1=O)CCN2Cc1ccccc1",
"CC(=O)N1N=C(c2ccc(C(... | [
"6342ba2d996fda62d3b16453d20c443875c4ca2fb0d87ef71572273c842a4ebf",
"56c4c8d26b5a164849446ffaf4eafe26f147452c1346b87802fe27f6eba897f5",
"0dcc4e32f55d061d7f67f1a8318ccf790737e13338ec4272ce487e2b5cda5ff7",
"8532a3b0124245d6ee4e8aa3e71aeb510da21d316b061451407734fc04cdcb3d",
"8dbed6f8f01b4588c1f48afbd00895b275e... | 1 |
pubchem:743280 | CC(C)(C)NC(=S)NNC(=O)c1ccccc1Cl | 5a657eaff9813a48d9f60ad92a01e37bdc09079e2387fd2892bc831cda322e01 | [
"CCCn1c(=S)[nH]c2cc(Cl)ccc21",
"CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1",
"CC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O",
"O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1ccco1",
"CCOC(=O)C1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C",
"N#Cc1c2c(c[nH]c1=O)CCN2Cc1ccccc1",
"CC(=O)N1N=C(c2ccc(C(... | [
"6342ba2d996fda62d3b16453d20c443875c4ca2fb0d87ef71572273c842a4ebf",
"56c4c8d26b5a164849446ffaf4eafe26f147452c1346b87802fe27f6eba897f5",
"0dcc4e32f55d061d7f67f1a8318ccf790737e13338ec4272ce487e2b5cda5ff7",
"8532a3b0124245d6ee4e8aa3e71aeb510da21d316b061451407734fc04cdcb3d",
"8dbed6f8f01b4588c1f48afbd00895b275e... | 1 |
pubchem:743280 | CC(C)(C)NC(=S)NNC(=O)c1ccccc1Cl | 5a657eaff9813a48d9f60ad92a01e37bdc09079e2387fd2892bc831cda322e01 | [
"Cc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1",
"NC(=S)N/N=C1\\CC(c2ccc3c(c2)OCCO3)Oc2ccc(F)cc21",
"CC(CSc1nnnn1-c1ccccc1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C",
"O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1",
"O=C(NCCc1ccncc1)Nc1ccc(F)cc1",
"CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCCC1",
"CC1CCCN(S(=... | [
"66834c2268dbb2eaa9e3a0ebda363ad033289696b083c10908e936b1b5d55a1b",
"d14d8a08d185829e64d7eee2f1171bdd88c7923693b3987f8c21da9b88cb248e",
"c3b8733534d41a093562facf0f2d1642b1e8a19e2fb5e3c41980197665996794",
"9dfac8f89b073d781e978c9f82a834eb71836a8d8745071a1ab8d68b81b6869b",
"2c2bcc716540e9731bf2b6f39fcd74438d3... | 1 |
pubchem:743280 | Cc1ccc(NC(=S)NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 | 27c1d1358bedeb884c2bf86157bc7d662b108d28f4601d169526ef4c07158073 | [
"Cc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1",
"NC(=S)N/N=C1\\CC(c2ccc3c(c2)OCCO3)Oc2ccc(F)cc21",
"CC(CSc1nnnn1-c1ccccc1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C",
"O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1",
"O=C(NCCc1ccncc1)Nc1ccc(F)cc1",
"CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCCC1",
"CC1CCCN(S(=... | [
"66834c2268dbb2eaa9e3a0ebda363ad033289696b083c10908e936b1b5d55a1b",
"d14d8a08d185829e64d7eee2f1171bdd88c7923693b3987f8c21da9b88cb248e",
"c3b8733534d41a093562facf0f2d1642b1e8a19e2fb5e3c41980197665996794",
"9dfac8f89b073d781e978c9f82a834eb71836a8d8745071a1ab8d68b81b6869b",
"2c2bcc716540e9731bf2b6f39fcd74438d3... | 1 |
pubchem:743280 | Cc1ccc(NC(=S)NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 | 27c1d1358bedeb884c2bf86157bc7d662b108d28f4601d169526ef4c07158073 | [
"CCOc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12",
"COc1ccc2c(c1)C1NC(=S)NC(C)(O2)C1C(=O)Nc1ccc(Cl)cc1",
"O=c1c(-c2ccco2)nc2ccccc2n1C(c1ccccn1)c1nc2ccccc2[nH]1",
"O=c1oc2ccccc2cc1-c1csc(NN=C2CCCC2)n1",
"CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O",
"CSCCC(NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1c(C)cccc1C",
"Cc1cccc(C)c1... | [
"e4d819da1c4060c426c602de9ccd44078f3f592ed53bfd62fdda9b33c2603d2a",
"69bab7a9d16ef27854956a97bc65a73f6052d20054f522fb02aef24b31152402",
"1357a55d236bd0a44c74504122238ad14c0fbe02aa7e291b98562d7d691372d8",
"4115f57039243fd14bef2c2cf3bc45962a6fd780db329db13a19345c73595537",
"24485ba89211e5c63f217e363801df22820... | 1 |
pubchem:743280 | O=C(NNC(=S)NC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 | f712d7d090e2192142adf3688051d029c32fc80c5d5fd3e7d78c63c3323ac51d | [
"CCOc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12",
"COc1ccc2c(c1)C1NC(=S)NC(C)(O2)C1C(=O)Nc1ccc(Cl)cc1",
"O=c1c(-c2ccco2)nc2ccccc2n1C(c1ccccn1)c1nc2ccccc2[nH]1",
"O=c1oc2ccccc2cc1-c1csc(NN=C2CCCC2)n1",
"CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O",
"CSCCC(NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1c(C)cccc1C",
"Cc1cccc(C)c1... | [
"e4d819da1c4060c426c602de9ccd44078f3f592ed53bfd62fdda9b33c2603d2a",
"69bab7a9d16ef27854956a97bc65a73f6052d20054f522fb02aef24b31152402",
"1357a55d236bd0a44c74504122238ad14c0fbe02aa7e291b98562d7d691372d8",
"4115f57039243fd14bef2c2cf3bc45962a6fd780db329db13a19345c73595537",
"24485ba89211e5c63f217e363801df22820... | 1 |
pubchem:743280 | O=C(NNC(=S)NC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 | f712d7d090e2192142adf3688051d029c32fc80c5d5fd3e7d78c63c3323ac51d | [
"CCc1ccccc1NC(=S)NC1CC2CCC(C1)N2Cc1ccco1",
"CC1=CC(C)(C)NC(=S)N1c1ccccc1",
"CC(=NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1",
"O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1",
"CO/N=C1\\CCn2c1c(C)c1ccccc12",
"C=CCN1C(=O)/C(=C\\c2ccco2)C(C(=O)OC)=C1C",
"CC(C)C(N)c1csc(Nc2ccc(C(=O)c3ccccc3)c... | [
"22b403d70048eb5be6ba6797bf1f810e9fc918d03d351eff490e6fd66ab4301c",
"2b7f9c3fa1023814f08639d70f3f999f34294adb44d29755d8aef2d5a92c466f",
"4f3d60fc0ac05ff62f85d83f61e480afa2809f7c4475cef817b97e3674a8cc67",
"036501ffae1aff36968a36982139f167b2de8f422187de2f800498dc2a3caee4",
"59011f2681a550f1e3428b5ce41953ec8b3... | 1 |
pubchem:743280 | CCCCCC1CCC(c2n[nH]c(=S)n2C)CC1 | dbd14172a977a1ee7642d5bf5961af2482ae171e6748ca16caeae58203f79572 | [
"CCc1ccccc1NC(=S)NC1CC2CCC(C1)N2Cc1ccco1",
"CC1=CC(C)(C)NC(=S)N1c1ccccc1",
"CC(=NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1",
"O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1",
"CO/N=C1\\CCn2c1c(C)c1ccccc12",
"C=CCN1C(=O)/C(=C\\c2ccco2)C(C(=O)OC)=C1C",
"CC(C)C(N)c1csc(Nc2ccc(C(=O)c3ccccc3)c... | [
"22b403d70048eb5be6ba6797bf1f810e9fc918d03d351eff490e6fd66ab4301c",
"2b7f9c3fa1023814f08639d70f3f999f34294adb44d29755d8aef2d5a92c466f",
"4f3d60fc0ac05ff62f85d83f61e480afa2809f7c4475cef817b97e3674a8cc67",
"036501ffae1aff36968a36982139f167b2de8f422187de2f800498dc2a3caee4",
"59011f2681a550f1e3428b5ce41953ec8b3... | 1 |
pubchem:743280 | CCCCCC1CCC(c2n[nH]c(=S)n2C)CC1 | dbd14172a977a1ee7642d5bf5961af2482ae171e6748ca16caeae58203f79572 | [
"O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1cccnc1",
"COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)c2ccccc2)cc1OC",
"COc1cccc(C(=O)NCCCNC(=O)c2ccco2)c1",
"Nc1ccc2[nH]c(-c3ccc(N)c(Cl)c3)nc2c1",
"Cc1ccccc1NC(=S)NC(=O)c1cncc(Br)c1",
"COc1ccc(C(C)=NNC(=S)NCCc2ccccc2)c(O)c1",
"Cc1cccc(/C=N/Nc2ccc3ccccc3n2)c1"
] | [
"0ac4dd8a982e3f57e009bf196b2542866a19f2cff1a0f4c6a1478d2b5beac78a",
"14afa85b643236ed7fc894fe38a8d6a2c51b0cf3a8b7a3cf4468bb79c06ed017",
"b5b96d927dbc412013d8634a1d18a55ff9484e60b3e3c4dd8c45ef0dab82ac30",
"51cb37a3ca752e8af593c4a03587d425e434dec93c315c3dc40e7fecdfa55995",
"a9c8e85c706428ba52f612e26ee6f628295... | 1 |
pubchem:743280 | CCc1c(C)sc(NC(=O)c2cccs2)c1C#N | 31205d4b48464904359e05a4e71f585a4d9ce90358c23f76ef444516801b4383 | [
"O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1cccnc1",
"COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)c2ccccc2)cc1OC",
"COc1cccc(C(=O)NCCCNC(=O)c2ccco2)c1",
"Nc1ccc2[nH]c(-c3ccc(N)c(Cl)c3)nc2c1",
"Cc1ccccc1NC(=S)NC(=O)c1cncc(Br)c1",
"COc1ccc(C(C)=NNC(=S)NCCc2ccccc2)c(O)c1",
"Cc1cccc(/C=N/Nc2ccc3ccccc3n2)c1"
] | [
"0ac4dd8a982e3f57e009bf196b2542866a19f2cff1a0f4c6a1478d2b5beac78a",
"14afa85b643236ed7fc894fe38a8d6a2c51b0cf3a8b7a3cf4468bb79c06ed017",
"b5b96d927dbc412013d8634a1d18a55ff9484e60b3e3c4dd8c45ef0dab82ac30",
"51cb37a3ca752e8af593c4a03587d425e434dec93c315c3dc40e7fecdfa55995",
"a9c8e85c706428ba52f612e26ee6f628295... | 1 |
pubchem:743280 | CCc1c(C)sc(NC(=O)c2cccs2)c1C#N | 31205d4b48464904359e05a4e71f585a4d9ce90358c23f76ef444516801b4383 | [
"COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1",
"Cc1cccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc23)c1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O",
"COCCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc(S(C)(=O)=O)ccc21",
"CCc1ccc(... | [
"4e6a57fc32720dc63037e17e9b7000279c303a0fe07e59f3ba44289441e3561f",
"4765d7addcd666a705bb259e7707ee83b09c0bdc44d26b531428df50b22bb15f",
"bcd4e705f5ede494440c29d88d284ea0a774a397ca578497733863d75ded434a",
"0cb8ece177af4cfcd961bc90fbc3f6edacbc32889e58b74951599488f9802c67",
"1a129e5574d2195a1e731544be7bb0f004c... | 1 |
pubchem:743314 | CC(C)C(C(=O)NC(CCc1ccc(O)cc1)C(=O)O)N(C)C(=O)C(CO)NC(=O)C(O)C(N)CCCCCCCCl | a17addff338c8dea10bea1a2dc1f292f717721a953eae66ffaa260cc0f787503 | [
"O=C(CNC(=O)OCc1ccccc1)Nc1ccc(F)cc1",
"C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1",
"CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1",
"CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1nc(=O)c2ccccc2[nH]1",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)C",
"C[C... | [
"ca96035cbf86f057e8322785ab2632e568e794bc3dcbba41f43c8971894f1546",
"0d4d58cb3f0ba16efbce3562b736d60cdc0a7cec99e8575590f57a1681bad682",
"2a05b9939c9af59ff2a5f270429036c43f31cd2566546d68505a8710b88363c7",
"06a9efd6ddf2349c8544f6fa190784659f0ae406afa31e62af418e9b092f87e6",
"cf4838699e797166b776d02e2f548fda700... | 1.288874 |
pubchem:743314 | CC(C)C(C(=O)NC(CCc1ccc(O)cc1)C(=O)O)N(C)C(=O)C(CO)NC(=O)C(O)C(N)CCCCCCCCl | a17addff338c8dea10bea1a2dc1f292f717721a953eae66ffaa260cc0f787503 | [
"CC(=Nc1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1",
"Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3",
"COc1ccc(CCOC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1",
"CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1",
"CCOc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1",
"COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H]... | [
"ae287edb41dae0bb6fe114bba9544eaa0d5e2bd7791575defd7bee47af887bb1",
"953cb48d11507595886fc7a3578187ee0311aa23ae968892964ae35b77da6429",
"94a37923adcc7ab911e7143dbc045e4bd50769cec0f2c3fa32189cacb8790097",
"8f827b0f110e1b6ac564e6b4b02b66d51d2962d68a7fc8c1b76074cc591c3e91",
"55f741a87b4ad598a4f218753c6a548a6a7... | 1.288874 |
pubchem:743314 | O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 | f1b923fac3d975c754e6f6e96b6819fe4616fc25ac6aa7ae370edb18b3a8ad02 | [
"CC(=Nc1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1",
"Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3",
"COc1ccc(CCOC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1",
"CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1",
"CCOc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1",
"COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H]... | [
"ae287edb41dae0bb6fe114bba9544eaa0d5e2bd7791575defd7bee47af887bb1",
"953cb48d11507595886fc7a3578187ee0311aa23ae968892964ae35b77da6429",
"94a37923adcc7ab911e7143dbc045e4bd50769cec0f2c3fa32189cacb8790097",
"8f827b0f110e1b6ac564e6b4b02b66d51d2962d68a7fc8c1b76074cc591c3e91",
"55f741a87b4ad598a4f218753c6a548a6a7... | 1.287889 |
pubchem:743314 | O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 | f1b923fac3d975c754e6f6e96b6819fe4616fc25ac6aa7ae370edb18b3a8ad02 | [
"O=C(COC(=O)c1ccc(CO)cc1)Nc1ccc2ccccc2c1",
"CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1",
"Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC(C(=O)O)C(C)C)c(C)c32)c1C",
"CCOCc1c(C(=O)Nc2ccc(OC)nc2)oc2ccccc12",
"COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21",
"O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2C... | [
"fbd79117ba683e123a9455570de69aa0b06e3abad285e2970db88389653d6a4d",
"95b2a4fd4c583f538995240b746adbc6893ff60832a7305283cc5605b80888a7",
"7b1fcec46176730727633d075e2d2d0b8041724f3213ace238c4a8c1645d4401",
"2f3349a5ee80a6f7ac89ed4ae88165a2c3b48fe21445f7fe67b2d9a9920838d7",
"a3e6425e6afe9f51e5ada90e8a1b9ccd3cc... | 1.287889 |
pubchem:743314 | O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1ccccc1 | 919f9e216f244dc5371d34670574bcade5b8928a02414ad416238a2d7d578041 | [
"O=C(COC(=O)c1ccc(CO)cc1)Nc1ccc2ccccc2c1",
"CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1",
"Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC(C(=O)O)C(C)C)c(C)c32)c1C",
"CCOCc1c(C(=O)Nc2ccc(OC)nc2)oc2ccccc12",
"COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21",
"O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2C... | [
"fbd79117ba683e123a9455570de69aa0b06e3abad285e2970db88389653d6a4d",
"95b2a4fd4c583f538995240b746adbc6893ff60832a7305283cc5605b80888a7",
"7b1fcec46176730727633d075e2d2d0b8041724f3213ace238c4a8c1645d4401",
"2f3349a5ee80a6f7ac89ed4ae88165a2c3b48fe21445f7fe67b2d9a9920838d7",
"a3e6425e6afe9f51e5ada90e8a1b9ccd3cc... | 1.278055 |
pubchem:743314 | O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1ccccc1 | 919f9e216f244dc5371d34670574bcade5b8928a02414ad416238a2d7d578041 | [
"Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccccc2)O3)cc1",
"Cc1ccc(NC(=O)C(C)OC(=O)C2CC3CCCC(C2)C3=O)cc1S(=O)(=O)N1CCOCC1",
"O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[... | [
"0bdc24e6f4e1d41c1ba0e41f0f63b0f0a12f16db03b4c4f5af72390218c0e07d",
"cbc4d923a4c5e3f9ecfa7e3adeaa486318e0d46f0164f53cc640cd335193c3c0",
"225cf60e59aa6d3a9e9ff5e39b8a0e5e91448d379cca8ce532566b839b5da5e0",
"f3108fc0a8a93a7a57e49a35fc52e6c1db0c5ca77dca02b48f769ac37c879c44",
"b89b539e41e1d7b849572428179646fe2e6... | 1.278055 |
pubchem:743314 | O=c1oc2c(CN3CCN(CCO)CC3)c(O)ccc2cc1-c1ccccn1 | d1d2b57a7f61615b15d6bfd3dd0e867d4f37ee44bb7d0b360400146659bf360c | [
"Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccccc2)O3)cc1",
"Cc1ccc(NC(=O)C(C)OC(=O)C2CC3CCCC(C2)C3=O)cc1S(=O)(=O)N1CCOCC1",
"O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[... | [
"0bdc24e6f4e1d41c1ba0e41f0f63b0f0a12f16db03b4c4f5af72390218c0e07d",
"cbc4d923a4c5e3f9ecfa7e3adeaa486318e0d46f0164f53cc640cd335193c3c0",
"225cf60e59aa6d3a9e9ff5e39b8a0e5e91448d379cca8ce532566b839b5da5e0",
"f3108fc0a8a93a7a57e49a35fc52e6c1db0c5ca77dca02b48f769ac37c879c44",
"b89b539e41e1d7b849572428179646fe2e6... | 1.277855 |
pubchem:743314 | O=c1oc2c(CN3CCN(CCO)CC3)c(O)ccc2cc1-c1ccccn1 | d1d2b57a7f61615b15d6bfd3dd0e867d4f37ee44bb7d0b360400146659bf360c | [
"COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1",
"CCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1",
"O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)N1CCCC1",
"COc1cc... | [
"742491d688efcbff430411043589dfbfbc1fd7a264feb3d0063060f0db24e50c",
"7c5c55e350d54a03ef2a79359dce7b6a8d05fd20f544f65eb343499cebac2d81",
"be9fa09da990d4f839730b92ed06f3002843995e2a9292a4bc98f440a19bb709",
"bc094ff0a6d37ac60627735d76a688a58b3700bf472511466703eb95e09b5715",
"4d0e3c959c45a190bd756c59d39e5157d29... | 1.277855 |
pubchem:743314 | CN(C)Cc1c(O)ccc2cc(-c3nc4ccccc4n3C)c(=O)oc12 | f9db9179370e08053eeb98c511e68ca730214be9001f3047dcee44b148ef3ddc | [
"COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1",
"CCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1",
"O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)N1CCCC1",
"COc1cc... | [
"742491d688efcbff430411043589dfbfbc1fd7a264feb3d0063060f0db24e50c",
"7c5c55e350d54a03ef2a79359dce7b6a8d05fd20f544f65eb343499cebac2d81",
"be9fa09da990d4f839730b92ed06f3002843995e2a9292a4bc98f440a19bb709",
"bc094ff0a6d37ac60627735d76a688a58b3700bf472511466703eb95e09b5715",
"4d0e3c959c45a190bd756c59d39e5157d29... | 1.276896 |
pubchem:743314 | CN(C)Cc1c(O)ccc2cc(-c3nc4ccccc4n3C)c(=O)oc12 | f9db9179370e08053eeb98c511e68ca730214be9001f3047dcee44b148ef3ddc | [
"CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)NCCc1cn(C)cn1",
"COc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1",
"COc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]3[C@H](CN3Cc3cc(F)ccc3F)O2)cc1",
"N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1",
"O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCC1CCCO1... | [
"029be31135dd277b4e0bf7ac90459c18eb0a36623bdcc345f9996fef5dd90cea",
"625def3b8f277ce25e7bc1f1ce6293fbc0e84f54ad1efe5fb53cecb0515a8bef",
"20cc3392d0647ad4bb55e6f1330e8c59a597c44e61400590fd3dcbb44d77c7f2",
"86137aacd38f4c01b7b5d8156b77cad0a3e75fed08a89e890bdd859f0a7ef70a",
"1dd344bdfdf4f243286d5716724c603d50c... | 1.276896 |
pubchem:743314 | O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 | c8b83a9595ee3ff534dc8a06de3d3dd3d7556a281ba55ae89da29efea072968a | [
"CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)NCCc1cn(C)cn1",
"COc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1",
"COc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]3[C@H](CN3Cc3cc(F)ccc3F)O2)cc1",
"N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1",
"O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCC1CCCO1... | [
"029be31135dd277b4e0bf7ac90459c18eb0a36623bdcc345f9996fef5dd90cea",
"625def3b8f277ce25e7bc1f1ce6293fbc0e84f54ad1efe5fb53cecb0515a8bef",
"20cc3392d0647ad4bb55e6f1330e8c59a597c44e61400590fd3dcbb44d77c7f2",
"86137aacd38f4c01b7b5d8156b77cad0a3e75fed08a89e890bdd859f0a7ef70a",
"1dd344bdfdf4f243286d5716724c603d50c... | 1.275482 |
pubchem:743314 | O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 | c8b83a9595ee3ff534dc8a06de3d3dd3d7556a281ba55ae89da29efea072968a | [
"COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCOCC1",
"COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1",
"N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12",
"O=C... | [
"603a049141ef764180cfb241dcc54880d7502bc4f94f2adda127ad9288abc225",
"b37793c69c8215706ef612ad1d03c375532e8d3920d55efd1679d9dd28d29e6f",
"afb5d3de97cc3684e5efc60fc77b4b4a084b13e71f2b45e5b925e325d0f29dfa",
"51e635271598b256dd4af47d02f84cb7de829a594ba76544a4d85d70b63234af",
"d1017f28330c497995e4252ce37119f38e2... | 1.275482 |
pubchem:743314 | CCN(CC)Cc1c(O)ccc2cc(-c3nc4ccccc4n3C)c(=O)oc12 | 675765188c4121d1a9905baa1c35f056ead94825eaef95d0eeec9ca23ab1f266 | [
"COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCOCC1",
"COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1",
"N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12",
"O=C... | [
"603a049141ef764180cfb241dcc54880d7502bc4f94f2adda127ad9288abc225",
"b37793c69c8215706ef612ad1d03c375532e8d3920d55efd1679d9dd28d29e6f",
"afb5d3de97cc3684e5efc60fc77b4b4a084b13e71f2b45e5b925e325d0f29dfa",
"51e635271598b256dd4af47d02f84cb7de829a594ba76544a4d85d70b63234af",
"d1017f28330c497995e4252ce37119f38e2... | 1.274824 |
pubchem:743314 | CCN(CC)Cc1c(O)ccc2cc(-c3nc4ccccc4n3C)c(=O)oc12 | 675765188c4121d1a9905baa1c35f056ead94825eaef95d0eeec9ca23ab1f266 | [
"Cn1c(=O)[nH]c(=O)c2c1[nH]c(=S)n2Cc1ccccc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"COc1ccc(CN(C)C(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1",
"CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(-c2ccncc2)n1C",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(... | [
"63466a1507979331b5474e45b8bb997a0690f25545923ce638859e7c780d00aa",
"83d41bee10fc5efe5b1a854a3d426373903c5b92afee78927cbcd4290b6e32bd",
"d1f103b8b01d80abaca776b62f95f0c9943ee4735e226d863af3241f1c9d4be3",
"52f07e27e2a0fbdcb205acf43716b37308be96658206514f29f5747e975da57a",
"27de79fe3d35fd33556bcdd83d5cc4615ba... | 1.274824 |
pubchem:743314 | CN1CCN(Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)CC1 | fd938ed15e69d53db3b521660102d7f24b71be838a7fc504d8acc5b85d6f3e4a | [
"Cn1c(=O)[nH]c(=O)c2c1[nH]c(=S)n2Cc1ccccc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"COc1ccc(CN(C)C(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1",
"CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(-c2ccncc2)n1C",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(... | [
"63466a1507979331b5474e45b8bb997a0690f25545923ce638859e7c780d00aa",
"83d41bee10fc5efe5b1a854a3d426373903c5b92afee78927cbcd4290b6e32bd",
"d1f103b8b01d80abaca776b62f95f0c9943ee4735e226d863af3241f1c9d4be3",
"52f07e27e2a0fbdcb205acf43716b37308be96658206514f29f5747e975da57a",
"27de79fe3d35fd33556bcdd83d5cc4615ba... | 1.274195 |
pubchem:743314 | CN1CCN(Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)CC1 | fd938ed15e69d53db3b521660102d7f24b71be838a7fc504d8acc5b85d6f3e4a | [
"C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1",
"COc1ccc(C(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1",
"CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1",
"O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1",
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC... | [
"12effc76b4311ead1c0c9ae72c321b7e076f2fa823aeb48bbd03af0c91f7423b",
"5c74e24a635b112023ca52d7c8fd068d8b1c82676291c1ed6fc61af47dc2675a",
"67cdaf023f37249af1d43f2fab1a47858eae065111b1bc50d0e83b366a811442",
"5233560fe2643aa7a416ad717716aa483e232e35510876958d57b089c6c6fcc8",
"41aa400475170052435188701dfd2dcb5c4... | 1.274195 |
pubchem:743314 | O=c1ccc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 | 5939d755abe90e2dfce4a44f757de585781d8b589a9b9909ad1c860fe08f63e5 | [
"C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1",
"COc1ccc(C(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1",
"CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1",
"O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1",
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC... | [
"12effc76b4311ead1c0c9ae72c321b7e076f2fa823aeb48bbd03af0c91f7423b",
"5c74e24a635b112023ca52d7c8fd068d8b1c82676291c1ed6fc61af47dc2675a",
"67cdaf023f37249af1d43f2fab1a47858eae065111b1bc50d0e83b366a811442",
"5233560fe2643aa7a416ad717716aa483e232e35510876958d57b089c6c6fcc8",
"41aa400475170052435188701dfd2dcb5c4... | 1.271658 |
pubchem:743314 | O=c1ccc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 | 5939d755abe90e2dfce4a44f757de585781d8b589a9b9909ad1c860fe08f63e5 | [
"O=c1cc(CN2CCOCC2)c2cc(Cl)c(O)cc2o1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O",
"c1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)... | [
"bfc8f170d13bc800245750449bb1a155a3cd08102b2ecf30a0392ac96e0af7cd",
"63c4d72ddb9a497dbc6d035fed4b2361dcce5dfeaa25b29d0ba8d0d21057e8f1",
"6a46161be69e13599e6f8d1ba2d5b52d406192c19d6d969e18ce338e8d80657c",
"1f9d81bf443cf82a83c36889ce581b404375267753e3eb92c5118139780fac5b",
"1b9773ca571dff87a54bcb31aa059a1d247... | 1.271658 |
pubchem:743314 | O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1 | 49364b03eef1a7280583c694f3753e8d4ed346b40ce7ff57ef5a54f6619f85d1 | [
"O=c1cc(CN2CCOCC2)c2cc(Cl)c(O)cc2o1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O",
"c1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)... | [
"bfc8f170d13bc800245750449bb1a155a3cd08102b2ecf30a0392ac96e0af7cd",
"63c4d72ddb9a497dbc6d035fed4b2361dcce5dfeaa25b29d0ba8d0d21057e8f1",
"6a46161be69e13599e6f8d1ba2d5b52d406192c19d6d969e18ce338e8d80657c",
"1f9d81bf443cf82a83c36889ce581b404375267753e3eb92c5118139780fac5b",
"1b9773ca571dff87a54bcb31aa059a1d247... | 1.270842 |
pubchem:743314 | O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1 | 49364b03eef1a7280583c694f3753e8d4ed346b40ce7ff57ef5a54f6619f85d1 | [
"COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1",
"Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c(C)c1",
"CC(C)C(NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1",
"COCCN(C(=O)COC(=O)CNC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O",
"CCN(CC)C(=O)c1ncn(C)c1C(=O)N(CC)CC",... | [
"c51a73fdf14db3cb8e6a8317c636ee4899c51ff1da1c3a8b0f0f09b692d4c805",
"aa51b9bd04bcbed58b431a1bf5aa0d5b7ae46f4a6b924b76f085909aa087d6fb",
"23076d9f03c1b8325cb746dd706028c3c566e899de2dcdf2b770960a47e45e1a",
"5ebcb9e00ca2896eb24fdd40d9d65fbda747505e9a82261ba57a7fad34059800",
"13ca12be67cf17108dd67e7c27444e28abf... | 1.270842 |
pubchem:743314 | CCC(=O)N(C)C[C@@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C | ed3e17868431b52b0fd9d914db48793ff4eba6385a485910b3e5e498162a13a9 | [
"COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1",
"Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c(C)c1",
"CC(C)C(NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1",
"COCCN(C(=O)COC(=O)CNC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O",
"CCN(CC)C(=O)c1ncn(C)c1C(=O)N(CC)CC",... | [
"c51a73fdf14db3cb8e6a8317c636ee4899c51ff1da1c3a8b0f0f09b692d4c805",
"aa51b9bd04bcbed58b431a1bf5aa0d5b7ae46f4a6b924b76f085909aa087d6fb",
"23076d9f03c1b8325cb746dd706028c3c566e899de2dcdf2b770960a47e45e1a",
"5ebcb9e00ca2896eb24fdd40d9d65fbda747505e9a82261ba57a7fad34059800",
"13ca12be67cf17108dd67e7c27444e28abf... | 1.268121 |
pubchem:743314 | CCC(=O)N(C)C[C@@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C | ed3e17868431b52b0fd9d914db48793ff4eba6385a485910b3e5e498162a13a9 | [
"CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC1",
"COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]3CO)cc2)c1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C",
"CCN(Cc1ccc(OC)c(F)c1)C(=O)C1CCCO1",
"CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)... | [
"b971ae2743a9ae9663ee6e6e87fa26835990660de2b8ac75b3bf061546fb9a48",
"93c2a324c18d3cd76266d86060fa3b6e6687b16093be61a37e144414d33305ae",
"daeee2d602dce399d2895d226add662443681e9f7fe795c4b0808e5157321a6d",
"a1219a919e144d66cdc70db5d478ecacb38f56885a8b3f3fabd0e56a77bdcce8",
"873bcbc0d24067dd3e3fc13d77d490acde0... | 1.268121 |
pubchem:743314 | CCC(=O)N(C)C[C@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C | 6d53200c988d9d2d39cbdcb0bdde9b149a3b98e28e6bcb0683b115f623f61c4f | [
"CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC1",
"COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]3CO)cc2)c1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C",
"CCN(Cc1ccc(OC)c(F)c1)C(=O)C1CCCO1",
"CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)... | [
"b971ae2743a9ae9663ee6e6e87fa26835990660de2b8ac75b3bf061546fb9a48",
"93c2a324c18d3cd76266d86060fa3b6e6687b16093be61a37e144414d33305ae",
"daeee2d602dce399d2895d226add662443681e9f7fe795c4b0808e5157321a6d",
"a1219a919e144d66cdc70db5d478ecacb38f56885a8b3f3fabd0e56a77bdcce8",
"873bcbc0d24067dd3e3fc13d77d490acde0... | 1.267821 |
pubchem:743314 | CCC(=O)N(C)C[C@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C | 6d53200c988d9d2d39cbdcb0bdde9b149a3b98e28e6bcb0683b115f623f61c4f | [
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"CC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1",
"C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(O)cc2o1",
"Cc1cc(C)cc(N2CC(c3nc4ccccc4n3C)CC2=O... | [
"f546f0da91df4121779f56f224257ebda7cbec87ff841211b2e58f9048aa5a30",
"a0e3ee93a012961a1954590073176a4babd9f1eef510fe26755371f08ed39b53",
"e08d7a4002039f0e0eff92654b299cefaf0b94f6582955a0e27c00d300840801",
"b20ed78dfc40ff7a7e57a055d9f0f65b27123e41876cf3028604dac427ef3d73",
"f37c29cc65dd72e9462ae8f10499bf09bf2... | 1.267821 |
pubchem:743314 | COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 | 5338dab9769c10a2329ffcd28fd437d9a6793d6fce30a545c02c63f665db5b6b | [
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"CC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1",
"C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(O)cc2o1",
"Cc1cc(C)cc(N2CC(c3nc4ccccc4n3C)CC2=O... | [
"f546f0da91df4121779f56f224257ebda7cbec87ff841211b2e58f9048aa5a30",
"a0e3ee93a012961a1954590073176a4babd9f1eef510fe26755371f08ed39b53",
"e08d7a4002039f0e0eff92654b299cefaf0b94f6582955a0e27c00d300840801",
"b20ed78dfc40ff7a7e57a055d9f0f65b27123e41876cf3028604dac427ef3d73",
"f37c29cc65dd72e9462ae8f10499bf09bf2... | 1.267143 |
pubchem:743314 | COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 | 5338dab9769c10a2329ffcd28fd437d9a6793d6fce30a545c02c63f665db5b6b | [
"CCN(CC)CCCNC1=N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1CC",
"Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc4ncsc4c3)nc12",
"O=C(c1ccc(F)cc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1",
"CCc1ccccc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1",
"CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2",
"COCc1cn(CC[C@@H]2CC[C@H](NC... | [
"3f93501366891cf249208991314cf9760fe315016ad68ce408a6d6880eb9e80b",
"7f6c0714edffe1b4a1ca8d29f6169824401e23d9dc5a7ee7a37ec2566cda32eb",
"833c0d6926eaeb0affaf6aa529e326e0752864d8f46d606313c2342a69bb5674",
"1b5f0a54890bd05054f632ee8313db7e748a4fd99ef19995dc66bd41294fab93",
"654feafaa8eb53c9e48e57aec4ac7c83b0a... | 1.267143 |
pubchem:743314 | Cc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2cc(O)c(Cl)cc12 | 7156e4b3e6ebad17a171d98a698635d7b77237ed3b86becd5142993b5326cb08 | [
"CCN(CC)CCCNC1=N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1CC",
"Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc4ncsc4c3)nc12",
"O=C(c1ccc(F)cc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1",
"CCc1ccccc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1",
"CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2",
"COCc1cn(CC[C@@H]2CC[C@H](NC... | [
"3f93501366891cf249208991314cf9760fe315016ad68ce408a6d6880eb9e80b",
"7f6c0714edffe1b4a1ca8d29f6169824401e23d9dc5a7ee7a37ec2566cda32eb",
"833c0d6926eaeb0affaf6aa529e326e0752864d8f46d606313c2342a69bb5674",
"1b5f0a54890bd05054f632ee8313db7e748a4fd99ef19995dc66bd41294fab93",
"654feafaa8eb53c9e48e57aec4ac7c83b0a... | 1.266908 |
pubchem:743314 | Cc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2cc(O)c(Cl)cc12 | 7156e4b3e6ebad17a171d98a698635d7b77237ed3b86becd5142993b5326cb08 | [
"C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1",
"Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1",
"O=C(C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCCN1CCOCC1",
"Cc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1",
"CNC[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C... | [
"9371662546846d94b10d5836c0089eef8e113db9be6db5c4a2462b93d788c3c4",
"ca13f59bd07d2e6582e39731b078ad477a915e589f1bb951087c53f2254901a6",
"ec65bd7342fbf1218f414f0e9b31bb4e855a1e6f3241b815da831570609436bc",
"319464ae51307607bc46da8abc552de1841b22a773434d93868d62487e667106",
"a6815fd72251dbbbb3feceb5bcc36748aa6... | 1.266908 |
pubchem:743314 | CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1 | 1289f839ed3efb8535720cf8e4cf0520109f96be205a462a66104f4f54ee4ca8 | [
"C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1",
"Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1",
"O=C(C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCCN1CCOCC1",
"Cc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1",
"CNC[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C... | [
"9371662546846d94b10d5836c0089eef8e113db9be6db5c4a2462b93d788c3c4",
"ca13f59bd07d2e6582e39731b078ad477a915e589f1bb951087c53f2254901a6",
"ec65bd7342fbf1218f414f0e9b31bb4e855a1e6f3241b815da831570609436bc",
"319464ae51307607bc46da8abc552de1841b22a773434d93868d62487e667106",
"a6815fd72251dbbbb3feceb5bcc36748aa6... | 1.266862 |
pubchem:743314 | CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1 | 1289f839ed3efb8535720cf8e4cf0520109f96be205a462a66104f4f54ee4ca8 | [
"Cc1c(O)ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc12",
"COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)O)c1C#N",
"CCn1cnc2c1c(=O)n(CC(=O)NCC(F)(F)F)c(=O)n2Cc1ccccc1",
"O=C(CC1CC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2",
"CNc1cncc(-c2cccc(C(=O)N(C)C)c2)n1",
"CCOc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1"... | [
"0b392bf63ca5bf274df0bd3f2df21f22abe0848e016463a58693d3bf3caf962d",
"e8930ef6b42d8a5bc5ad26d49487fe4e3c0bad6d508030823b3b4f3e8ef691b8",
"7c919f3e925c32f3df42c70fe74697dd2b42e766de760b918c2a1493fcf7ba23",
"ee65abf115723d1a6b83c76df15007bba63789c6944ced06236f126d2ca75fc7",
"25b3b294748de5eeb80380c640c616f0b0f... | 1.266862 |
pubchem:743314 | COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1OC | 9fca291033d6b4c5ac88f52ce4ad3b7a61258f4e10106ef27f2b05ee43f5ac66 | [
"Cc1c(O)ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc12",
"COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)O)c1C#N",
"CCn1cnc2c1c(=O)n(CC(=O)NCC(F)(F)F)c(=O)n2Cc1ccccc1",
"O=C(CC1CC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2",
"CNc1cncc(-c2cccc(C(=O)N(C)C)c2)n1",
"CCOc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1"... | [
"0b392bf63ca5bf274df0bd3f2df21f22abe0848e016463a58693d3bf3caf962d",
"e8930ef6b42d8a5bc5ad26d49487fe4e3c0bad6d508030823b3b4f3e8ef691b8",
"7c919f3e925c32f3df42c70fe74697dd2b42e766de760b918c2a1493fcf7ba23",
"ee65abf115723d1a6b83c76df15007bba63789c6944ced06236f126d2ca75fc7",
"25b3b294748de5eeb80380c640c616f0b0f... | 1.26645 |
pubchem:743314 | COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1OC | 9fca291033d6b4c5ac88f52ce4ad3b7a61258f4e10106ef27f2b05ee43f5ac66 | [
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(F)cc3)cnc2O[C@H]1CN(C)CC1CCCCC1",
"Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1",
"Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1",
"C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C... | [
"bca84e4b8f3c780965c0b47fa8da45f712982958f9e444da2af370420ec523b5",
"2ae92f74b631c7a9bbc4f6f8d5d004f65c1d2e50c07885d19489e22f7c8357d6",
"16b3a612519274f519f57a20858d977f3782d3a9b2d094b679e76a483a004edf",
"d596ed97f13ab76eb28cd5e4b7ad7a2e3379a79486a6c5b6b190ba7fc8840d47",
"e155a64d160cefd2f0ee846fc1f50c68031... | 1.26645 |
pubchem:743314 | Cc1c(O)ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc12 | a395f147588cd2b11e737190c3fd7c78e4306d426aef40b949ecc83c6fb8a337 | [
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(F)cc3)cnc2O[C@H]1CN(C)CC1CCCCC1",
"Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1",
"Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1",
"C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C... | [
"bca84e4b8f3c780965c0b47fa8da45f712982958f9e444da2af370420ec523b5",
"2ae92f74b631c7a9bbc4f6f8d5d004f65c1d2e50c07885d19489e22f7c8357d6",
"16b3a612519274f519f57a20858d977f3782d3a9b2d094b679e76a483a004edf",
"d596ed97f13ab76eb28cd5e4b7ad7a2e3379a79486a6c5b6b190ba7fc8840d47",
"e155a64d160cefd2f0ee846fc1f50c68031... | 1.265962 |
pubchem:743314 | Cc1c(O)ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc12 | a395f147588cd2b11e737190c3fd7c78e4306d426aef40b949ecc83c6fb8a337 | [
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1",
"CC(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)O)CC1",
"CCOc1ccccc1N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1",
"CC(C)C(NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1",
"CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=... | [
"2f2c8c21c6fbb4178b8ce632004a7ec2367939bd9035b3b036b1a553377bd34e",
"be8a1a2d1ded3c527e48e857f6e3820fbeda26fc60ecbdb67e6769f985e74762",
"cddb12284d1a00a17148553b76e271b2b7ad7b7014d0ada8441fdd07630a8342",
"4bea9ffd58fcacd51d74b7fd52661a68c0ca94451952ca405805047c83b217bb",
"bfda24819b10bda3d863dd3a14061dc8e2d... | 1.265962 |
pubchem:743314 | COC(=O)C1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1N2C(=O)C1CCC1 | 9da5b66dc7590ddb6141f0c31c9f4fcfea31a46a88ba96b4e55fd40bef31faa6 | [
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1",
"CC(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)O)CC1",
"CCOc1ccccc1N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1",
"CC(C)C(NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1",
"CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=... | [
"2f2c8c21c6fbb4178b8ce632004a7ec2367939bd9035b3b036b1a553377bd34e",
"be8a1a2d1ded3c527e48e857f6e3820fbeda26fc60ecbdb67e6769f985e74762",
"cddb12284d1a00a17148553b76e271b2b7ad7b7014d0ada8441fdd07630a8342",
"4bea9ffd58fcacd51d74b7fd52661a68c0ca94451952ca405805047c83b217bb",
"bfda24819b10bda3d863dd3a14061dc8e2d... | 1.265322 |
pubchem:743314 | COC(=O)C1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1N2C(=O)C1CCC1 | 9da5b66dc7590ddb6141f0c31c9f4fcfea31a46a88ba96b4e55fd40bef31faa6 | [
"CCOc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1",
"CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C#N)C1",
"C[C@@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C)[C@@H](CO)O2)nn1",
"O=C(c1ccccc1)N1CC(=O)... | [
"fec16bcc896f35812cd5d13f854e054525f92ea93ce7d117f2a5b5d45ff3f555",
"aab474e7c3640091d560246d51c522932c4ea777eb4049d63c1e48399739b859",
"6bd4e92134b5d9629f5b5c8d8e881d94cd0d73b100c86fe05c9b0f9e5cb6c40e",
"cbfc803037f7390007832f0ddf7f12d5ea86241f343babd861785e441d44f5a4",
"c91769fc10954e29115cd85485d9bee6527... | 1.265322 |
pubchem:743314 | COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O | 9f45277b9e68afdc6e97c049279292d29e46df8150e6b15c4622631e37e73780 | [
"CCOc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1",
"CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C#N)C1",
"C[C@@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C)[C@@H](CO)O2)nn1",
"O=C(c1ccccc1)N1CC(=O)... | [
"fec16bcc896f35812cd5d13f854e054525f92ea93ce7d117f2a5b5d45ff3f555",
"aab474e7c3640091d560246d51c522932c4ea777eb4049d63c1e48399739b859",
"6bd4e92134b5d9629f5b5c8d8e881d94cd0d73b100c86fe05c9b0f9e5cb6c40e",
"cbfc803037f7390007832f0ddf7f12d5ea86241f343babd861785e441d44f5a4",
"c91769fc10954e29115cd85485d9bee6527... | 1.265156 |
pubchem:743314 | COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O | 9f45277b9e68afdc6e97c049279292d29e46df8150e6b15c4622631e37e73780 | [
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O",
"Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)c2ccccc2C(=O)O)s1",
"CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1",
"CC(C)NC(=O)C1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccco1",
"Cc1nc2ccc(NC(=O)c3ccc(=O)[nH]c3)cc... | [
"a4d3284711be40d50098dbecb47e2de69c257fd08d6ca4e259e45a29350f915f",
"716145f02fff3b7b22b01f50fe3ed575995d66f149d9b0e0fc827ac1aa9ca522",
"1c4b2c8a3696d697c5a595b8387effc0d06e993d6c05d284fb86382f17844754",
"d711f2d81dedd13abe8b70645f8bea99c85cb42b61346f8160b74c4f2bf66d1b",
"971ce3a45456dad3ea53c1d15ff21547d20... | 1.265156 |
pubchem:743314 | CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N(C)C | e3ed1f26aff34c06e5fc575ee72f5a98b9027b00e455e7a28ffc2ea032923c3c | [
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O",
"Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)c2ccccc2C(=O)O)s1",
"CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1",
"CC(C)NC(=O)C1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccco1",
"Cc1nc2ccc(NC(=O)c3ccc(=O)[nH]c3)cc... | [
"a4d3284711be40d50098dbecb47e2de69c257fd08d6ca4e259e45a29350f915f",
"716145f02fff3b7b22b01f50fe3ed575995d66f149d9b0e0fc827ac1aa9ca522",
"1c4b2c8a3696d697c5a595b8387effc0d06e993d6c05d284fb86382f17844754",
"d711f2d81dedd13abe8b70645f8bea99c85cb42b61346f8160b74c4f2bf66d1b",
"971ce3a45456dad3ea53c1d15ff21547d20... | 1.26156 |
pubchem:743314 | CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N(C)C | e3ed1f26aff34c06e5fc575ee72f5a98b9027b00e455e7a28ffc2ea032923c3c | [
"CCN1CCCC1CNS(=O)(=O)c1cccc(C(F)(F)F)c1",
"Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21",
"CN(C)C(=O)C1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)c1cnccn1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O",
"CC(=O)N1CC[C@@H... | [
"023f8cdb16926a287ee38919930de4769cf9d041a69317117db4d098698c61f8",
"c1b1bf2647ca35f7e2dd5f03dd48e38e77fad709956a8a96fe75dafa749fa99f",
"3a5427cc021c158d04f2a6aff92e500fdcf5de6b7e59cb651de42a1184f6b8fa",
"db20eda5c02f50238295ccd8deb2eb3ffe245b3a095a8f42e7c101496d012b21",
"fbca566ad6a1f6bada0b07d4448ff20f80e... | 1.26156 |
pubchem:743314 | CN1CCCC1CCNc1ccc2c(=O)c3ccccc3oc2c1 | 525eb3b0856b3b810c305f38e61725609763947fe11c73c73575a706839efc5e | [
"CCN1CCCC1CNS(=O)(=O)c1cccc(C(F)(F)F)c1",
"Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21",
"CN(C)C(=O)C1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)c1cnccn1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O",
"CC(=O)N1CC[C@@H... | [
"023f8cdb16926a287ee38919930de4769cf9d041a69317117db4d098698c61f8",
"c1b1bf2647ca35f7e2dd5f03dd48e38e77fad709956a8a96fe75dafa749fa99f",
"3a5427cc021c158d04f2a6aff92e500fdcf5de6b7e59cb651de42a1184f6b8fa",
"db20eda5c02f50238295ccd8deb2eb3ffe245b3a095a8f42e7c101496d012b21",
"fbca566ad6a1f6bada0b07d4448ff20f80e... | 1.261495 |
pubchem:743314 | CN1CCCC1CCNc1ccc2c(=O)c3ccccc3oc2c1 | 525eb3b0856b3b810c305f38e61725609763947fe11c73c73575a706839efc5e | [
"CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O",
"CCc1c(C)c2cc(Cl)c(O)c(CN3CCCC3)c2oc1=O",
"CCOC(=O)c1nnn(CC(=O)Nc2ccccc2)c1C(=O)OCC",
"COc1ccc(CN(C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1",
"COc1ccccc1-c1cccc(-c2nc(C(=O)Nc3nccs3)cc3c2[C@@H](CCO)N(C(... | [
"214854dbbb07d48e7dacf7bdf7427b33fd882e075ee43649b3895820c379ae30",
"82bc17e95d011ac7b9b55ddc2f4e470e7161d6436f133804a615cb8a310150a0",
"45f8ec44c653614a56899e8fc986e3ed22f0ec3582540ac4d78be4cd1ddb2468",
"a76e9ab4b906f8150b8f857c5940bc37c5824512d98913dbb133f9592aadb868",
"fef4976c82bd9c32302bc95f0dba54fd7e3... | 1.261495 |
pubchem:743314 | Cc1c(-c2ccccc2)c(=O)oc2cc(O)ccc12 | fa3a89b274b00bf95aef84c1beb6fece538b0b36b86c6b12bc438148834030c4 | [
"CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O",
"CCc1c(C)c2cc(Cl)c(O)c(CN3CCCC3)c2oc1=O",
"CCOC(=O)c1nnn(CC(=O)Nc2ccccc2)c1C(=O)OCC",
"COc1ccc(CN(C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1",
"COc1ccccc1-c1cccc(-c2nc(C(=O)Nc3nccs3)cc3c2[C@@H](CCO)N(C(... | [
"214854dbbb07d48e7dacf7bdf7427b33fd882e075ee43649b3895820c379ae30",
"82bc17e95d011ac7b9b55ddc2f4e470e7161d6436f133804a615cb8a310150a0",
"45f8ec44c653614a56899e8fc986e3ed22f0ec3582540ac4d78be4cd1ddb2468",
"a76e9ab4b906f8150b8f857c5940bc37c5824512d98913dbb133f9592aadb868",
"fef4976c82bd9c32302bc95f0dba54fd7e3... | 1.260656 |
pubchem:743314 | Cc1c(-c2ccccc2)c(=O)oc2cc(O)ccc12 | fa3a89b274b00bf95aef84c1beb6fece538b0b36b86c6b12bc438148834030c4 | [
"CN(C)C(=O)C1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCC1",
"COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(S(=O)(=O)c2cccs2)C1",
"COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1",
"O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1F",
"COc1cccc(CN(C)Cc2cc(=O)oc3cc(O)... | [
"7e690d0348d5db7b82c11d24c64dfb4cc68397c137c19a2e808c998f2b882f9d",
"1c6f8d1b4c65ab521b3fd5d3330df2ad32d2abb553e59ca3430cddd0e3f6a526",
"2f114ac37769a3e5f8808acee61d4abbb6c657d71dc9c6ef6910270205ac3419",
"4bac7bf9a196b89866c6327c949b852dd40c510ef04c2d0ced692b0a65cf1405",
"f50cc374eb9dbf3b26f0eebf1445fced7b4... | 1.260656 |
pubchem:743314 | CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1 | 0dbfc287f6c26042e346a42562ba38c60c07d0cebb88c73788b6205251046cfa | [
"CN(C)C(=O)C1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCC1",
"COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(S(=O)(=O)c2cccs2)C1",
"COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1",
"O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1F",
"COc1cccc(CN(C)Cc2cc(=O)oc3cc(O)... | [
"7e690d0348d5db7b82c11d24c64dfb4cc68397c137c19a2e808c998f2b882f9d",
"1c6f8d1b4c65ab521b3fd5d3330df2ad32d2abb553e59ca3430cddd0e3f6a526",
"2f114ac37769a3e5f8808acee61d4abbb6c657d71dc9c6ef6910270205ac3419",
"4bac7bf9a196b89866c6327c949b852dd40c510ef04c2d0ced692b0a65cf1405",
"f50cc374eb9dbf3b26f0eebf1445fced7b4... | 1.260475 |
pubchem:743314 | CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1 | 0dbfc287f6c26042e346a42562ba38c60c07d0cebb88c73788b6205251046cfa | [
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O",
"Cc1ccc(S(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1C",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)Cc1ccncc1",
"CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)s1",
"Cc1ccc(Cl)cc1NC(=O)CCC(=O)O",
"O=C(O)c1ccccc1NS... | [
"d5d047c684347ac39559bb4c027f9f5cda891ccada2a09fa978dd48382dff861",
"de2d09e3a9f76e1ed6261c336377ce984b2b7337e8da4b4216ddb640b991b518",
"b6ceb64fcb3995f53ce4c481d5e53d9bb0b145a3e9ac0e39ac5eca3481425f3b",
"9aff131faaf285791ba512c5e9e35e455827ff79ea082bea694419e390c029db",
"924c21f58910d12b1c6e9baffa8116daf11... | 1.260475 |
pubchem:743314 | COCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1 | b98539b00b8b58ab93075d3472ce23bd30ac58c9884cb1f0614c868bd3d971dc | [
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O",
"Cc1ccc(S(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1C",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)Cc1ccncc1",
"CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)s1",
"Cc1ccc(Cl)cc1NC(=O)CCC(=O)O",
"O=C(O)c1ccccc1NS... | [
"d5d047c684347ac39559bb4c027f9f5cda891ccada2a09fa978dd48382dff861",
"de2d09e3a9f76e1ed6261c336377ce984b2b7337e8da4b4216ddb640b991b518",
"b6ceb64fcb3995f53ce4c481d5e53d9bb0b145a3e9ac0e39ac5eca3481425f3b",
"9aff131faaf285791ba512c5e9e35e455827ff79ea082bea694419e390c029db",
"924c21f58910d12b1c6e9baffa8116daf11... | 1.260475 |
pubchem:743314 | COCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1 | b98539b00b8b58ab93075d3472ce23bd30ac58c9884cb1f0614c868bd3d971dc | [
"CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1",
"O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1",
"CCCN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1C(C(=O)NCCc1cn(C)cn1)[C@@H]2CO",
"Cc1cc(C)n2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nc2n1",
"O=C(NCCN1CCCC1)C1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)NC1CCCC1",
"COc1ccc(CN(C)... | [
"5d09aa77e6047fb6a393955a3192f19734a479883d409c08ca1b338f5d1ea90b",
"3a3bd3758acc0e232a17baea47eaabf817e6d0807e887e7f6eea4c8551c4c8e0",
"f10e85433500ba5f1466435e598760494018cf3d614b278ba49164f4f720ec27",
"2c88895df51d0387f6e749abf2ff46f471cad703d8c62ee704d91cff063ea66c",
"0def6bd2646a62547de94cbe762a23696ba... | 1.260475 |
pubchem:743314 | CCN(CC)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12 | 3584218599b333e306eadf112729065b9c374534a3535893def080b253f2c264 | [
"CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1",
"O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1",
"CCCN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1C(C(=O)NCCc1cn(C)cn1)[C@@H]2CO",
"Cc1cc(C)n2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nc2n1",
"O=C(NCCN1CCCC1)C1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)NC1CCCC1",
"COc1ccc(CN(C)... | [
"5d09aa77e6047fb6a393955a3192f19734a479883d409c08ca1b338f5d1ea90b",
"3a3bd3758acc0e232a17baea47eaabf817e6d0807e887e7f6eea4c8551c4c8e0",
"f10e85433500ba5f1466435e598760494018cf3d614b278ba49164f4f720ec27",
"2c88895df51d0387f6e749abf2ff46f471cad703d8c62ee704d91cff063ea66c",
"0def6bd2646a62547de94cbe762a23696ba... | 1.260386 |
pubchem:743314 | CCN(CC)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12 | 3584218599b333e306eadf112729065b9c374534a3535893def080b253f2c264 | [
"COc1ccc(CCC(=O)NC2CCCc3ccccc32)cc1OC",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1",
"COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1",
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C",... | [
"13700accfbf59f97179464e35d6c9e9e504d09bf12541e7185346f64b1cc2a69",
"726a6ed1b2a463a6151e003aa6054b48718ba9f2f598fa62e4515f1630341551",
"440ee4dcdea5d1376a169e91ab21fe8a7885a818f8be512bbc64c508da54c15e",
"92a5cd83783c87e5acf570eb168ba7e09be69e265b759171ffbe4e6e720a44a4",
"6cff3a66622589ed568707245034037a142... | 1.260386 |
pubchem:743314 | COC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 | 87f1b0c057e4b5a9022e99250787ad76297d43b544ce42812fd4ca3beb48b021 | [
"COc1ccc(CCC(=O)NC2CCCc3ccccc32)cc1OC",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1",
"COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1",
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C",... | [
"13700accfbf59f97179464e35d6c9e9e504d09bf12541e7185346f64b1cc2a69",
"726a6ed1b2a463a6151e003aa6054b48718ba9f2f598fa62e4515f1630341551",
"440ee4dcdea5d1376a169e91ab21fe8a7885a818f8be512bbc64c508da54c15e",
"92a5cd83783c87e5acf570eb168ba7e09be69e265b759171ffbe4e6e720a44a4",
"6cff3a66622589ed568707245034037a142... | 1.260238 |
pubchem:743314 | COC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 | 87f1b0c057e4b5a9022e99250787ad76297d43b544ce42812fd4ca3beb48b021 | [
"COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)O)c1",
"C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"CSc1cccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1",
"CCc1cc(=O)oc2c(CNCc3ccccc3F)c(O)c(Cl)cc12",
"COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C... | [
"5c95f40722f0bd7bb4dffef1a16211af9bb069bf6a012701633f54cc14a1e7fa",
"de834814fc6c9ec33f1806761c6a9a217419dfc2b38ca459cffb9e41f7e87a0d",
"c8e88887565a993be41ffa5dd8f684a06b0a571360b9b88cd4f1b56f89a28758",
"c9d579ae6c49901cbb8bed3f861278e1b6f2beff087b4db1b04faef17cefba0d",
"0c54139b21c2b3fddb3ac2ea5992e299392... | 1.260238 |
pubchem:743314 | Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 | 5b361582f5fa3e1f1008cb688f5d693c43ea3033154d55729f4056cbc0e5d526 | [
"COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)O)c1",
"C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"CSc1cccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1",
"CCc1cc(=O)oc2c(CNCc3ccccc3F)c(O)c(Cl)cc12",
"COc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C... | [
"5c95f40722f0bd7bb4dffef1a16211af9bb069bf6a012701633f54cc14a1e7fa",
"de834814fc6c9ec33f1806761c6a9a217419dfc2b38ca459cffb9e41f7e87a0d",
"c8e88887565a993be41ffa5dd8f684a06b0a571360b9b88cd4f1b56f89a28758",
"c9d579ae6c49901cbb8bed3f861278e1b6f2beff087b4db1b04faef17cefba0d",
"0c54139b21c2b3fddb3ac2ea5992e299392... | 1.259522 |
pubchem:743314 | Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 | 5b361582f5fa3e1f1008cb688f5d693c43ea3033154d55729f4056cbc0e5d526 | [
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C",
"O=C(NCc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12",
"CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@@H]1CO",
"O=C(CNC(=O)OCc1ccccc1)Nc1ccc(F)cc1",
"C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1",
"C... | [
"127dda02b0d294f85e96c0b51b0cc5979e404ffca7ca6e322c2122db97468a53",
"0cf713beeb535c2cd0df1b228cc02eab4bde38f49622d96ac0497f41c63d03bd",
"2c03435d3a19d2f915ad2c8d98ed269bf1e16688fc36d3a664f9b6bea14a7333",
"ca96035cbf86f057e8322785ab2632e568e794bc3dcbba41f43c8971894f1546",
"0d4d58cb3f0ba16efbce3562b736d60cdc0... | 1.259522 |
pubchem:743314 | CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O | 7c9c4b618c1bbd749afa99df926d454374b434a545d0a86f2e3805ecd6f34d68 | [
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C",
"O=C(NCc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12",
"CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@@H]1CO",
"O=C(CNC(=O)OCc1ccccc1)Nc1ccc(F)cc1",
"C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1",
"C... | [
"127dda02b0d294f85e96c0b51b0cc5979e404ffca7ca6e322c2122db97468a53",
"0cf713beeb535c2cd0df1b228cc02eab4bde38f49622d96ac0497f41c63d03bd",
"2c03435d3a19d2f915ad2c8d98ed269bf1e16688fc36d3a664f9b6bea14a7333",
"ca96035cbf86f057e8322785ab2632e568e794bc3dcbba41f43c8971894f1546",
"0d4d58cb3f0ba16efbce3562b736d60cdc0... | 1.259055 |
pubchem:743314 | CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O | 7c9c4b618c1bbd749afa99df926d454374b434a545d0a86f2e3805ecd6f34d68 | [
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)C",
"C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"CCC(C)N(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)C1CCS(=O)(=O)C1",
"CC(=Nc1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1",
"Cc1cc(OCC(=O)NC(Cc2ccc(Cl)... | [
"cf4838699e797166b776d02e2f548fda700092b08e70679c57d3da33ffe43853",
"288359f0b2067a519d6d012ad7590df3b654b1736001094a156ca67101186399",
"b832ba451f7209684c719a1dd17a0c71ef209a0090fa69ff98494f7d597bcbf1",
"ae287edb41dae0bb6fe114bba9544eaa0d5e2bd7791575defd7bee47af887bb1",
"953cb48d11507595886fc7a3578187ee031... | 1.259055 |
pubchem:743314 | Cc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12 | 7879bda0cc3c4b9369dab69c2048498e477406c7e84bcb045dba23fcd75aa6a4 | [
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)C",
"C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"CCC(C)N(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)C1CCS(=O)(=O)C1",
"CC(=Nc1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1",
"Cc1cc(OCC(=O)NC(Cc2ccc(Cl)... | [
"cf4838699e797166b776d02e2f548fda700092b08e70679c57d3da33ffe43853",
"288359f0b2067a519d6d012ad7590df3b654b1736001094a156ca67101186399",
"b832ba451f7209684c719a1dd17a0c71ef209a0090fa69ff98494f7d597bcbf1",
"ae287edb41dae0bb6fe114bba9544eaa0d5e2bd7791575defd7bee47af887bb1",
"953cb48d11507595886fc7a3578187ee031... | 1.257986 |
pubchem:743314 | Cc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12 | 7879bda0cc3c4b9369dab69c2048498e477406c7e84bcb045dba23fcd75aa6a4 | [
"CCOc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1",
"COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccc3F)O[C@@H]2CO)cc1",
"CCCCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21",
"O=C(COC(=O)c1ccc(CO)cc1)Nc1ccc2ccccc2c1",
"CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1",
"Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC(C(=O)... | [
"55f741a87b4ad598a4f218753c6a548a6a7f16906fc485058beecfe0baf7b238",
"a9a3bd720c326cbed70d5f024c75a6924a8d26a99082aa3ab83625d4161d5fed",
"c97010d2bb72d9ecfabf078e105e24ac95007a0b541add9c2d09523d5408377d",
"fbd79117ba683e123a9455570de69aa0b06e3abad285e2970db88389653d6a4d",
"95b2a4fd4c583f538995240b746adbc6893... | 1.257986 |
pubchem:743314 | COc1cc2ccc(=O)oc2cc1O | bd28ac4a2d35f1711a026d30163cc946f3901d3a4b77bd539f1f2c8494b3abe6 | [
"CCOc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1",
"COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccc3F)O[C@@H]2CO)cc1",
"CCCCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21",
"O=C(COC(=O)c1ccc(CO)cc1)Nc1ccc2ccccc2c1",
"CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1",
"Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC(C(=O)... | [
"55f741a87b4ad598a4f218753c6a548a6a7f16906fc485058beecfe0baf7b238",
"a9a3bd720c326cbed70d5f024c75a6924a8d26a99082aa3ab83625d4161d5fed",
"c97010d2bb72d9ecfabf078e105e24ac95007a0b541add9c2d09523d5408377d",
"fbd79117ba683e123a9455570de69aa0b06e3abad285e2970db88389653d6a4d",
"95b2a4fd4c583f538995240b746adbc6893... | 1.257911 |
pubchem:743314 | COc1cc2ccc(=O)oc2cc1O | bd28ac4a2d35f1711a026d30163cc946f3901d3a4b77bd539f1f2c8494b3abe6 | [
"COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21",
"O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CNC[C@H]1C2c1ccc(-c2ccncc2)cc1",
"CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@@H](CO)N3)c1",
"Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccccc2)O3)cc1",
"Cc1cc... | [
"a3e6425e6afe9f51e5ada90e8a1b9ccd3cc1f36ed064b1e9142272f80601adf0",
"ccef3f8c89ab0fec3e0c0c4f7450345f00d6e687c3fb7cfb574c07a3512fc624",
"b4fcc0806850da33fecc08738c8f46e7689587b20356188d9031f0af6b1174e3",
"0bdc24e6f4e1d41c1ba0e41f0f63b0f0a12f16db03b4c4f5af72390218c0e07d",
"cbc4d923a4c5e3f9ecfa7e3adeaa486318e... | 1.257911 |
pubchem:743314 | N=C(NCCc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)ccc1F | 814dae22b70bb240a0b0c799ea4cf17f582f515e2adfe793161fd9f2aa055283 | [
"COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21",
"O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CNC[C@H]1C2c1ccc(-c2ccncc2)cc1",
"CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2nccs2)[C@@H](CO)N3)c1",
"Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccccc2)O3)cc1",
"Cc1cc... | [
"a3e6425e6afe9f51e5ada90e8a1b9ccd3cc1f36ed064b1e9142272f80601adf0",
"ccef3f8c89ab0fec3e0c0c4f7450345f00d6e687c3fb7cfb574c07a3512fc624",
"b4fcc0806850da33fecc08738c8f46e7689587b20356188d9031f0af6b1174e3",
"0bdc24e6f4e1d41c1ba0e41f0f63b0f0a12f16db03b4c4f5af72390218c0e07d",
"cbc4d923a4c5e3f9ecfa7e3adeaa486318e... | 1.257179 |
pubchem:743314 | N=C(NCCc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(F)ccc1F | 814dae22b70bb240a0b0c799ea4cf17f582f515e2adfe793161fd9f2aa055283 | [
"Cc1nc2cc(NC(=O)C3COc4ccccc4O3)ccc2s1",
"CN1C(C(=O)N2CCCCC2)[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]21",
"CCc1cccc(C)c1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12",
"COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)... | [
"b89b539e41e1d7b849572428179646fe2e6d1b95c0edb485c54e559f679b9b9c",
"87d125c332d98dc10e2b09f8f84e1fe8e8a0d70f4febd2789cffbbcac006979b",
"270049c4a86682bdd3f8dfe7c1606177ac941fdab39395a659859e692a2fcdb0",
"742491d688efcbff430411043589dfbfbc1fd7a264feb3d0063060f0db24e50c",
"7c5c55e350d54a03ef2a79359dce7b6a8d0... | 1.257179 |
pubchem:743314 | N#Cc1c(N2CCNCC2)nc(-c2ccco2)c2c1CCCC2 | 89040bd96b8699597abe8d260615adeae2b3daf03cbfa754cdc5c32a34a116ac | [
"Cc1nc2cc(NC(=O)C3COc4ccccc4O3)ccc2s1",
"CN1C(C(=O)N2CCCCC2)[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]21",
"CCc1cccc(C)c1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12",
"COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1",
"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)... | [
"b89b539e41e1d7b849572428179646fe2e6d1b95c0edb485c54e559f679b9b9c",
"87d125c332d98dc10e2b09f8f84e1fe8e8a0d70f4febd2789cffbbcac006979b",
"270049c4a86682bdd3f8dfe7c1606177ac941fdab39395a659859e692a2fcdb0",
"742491d688efcbff430411043589dfbfbc1fd7a264feb3d0063060f0db24e50c",
"7c5c55e350d54a03ef2a79359dce7b6a8d0... | 1.257132 |
pubchem:743314 | N#Cc1c(N2CCNCC2)nc(-c2ccco2)c2c1CCCC2 | 89040bd96b8699597abe8d260615adeae2b3daf03cbfa754cdc5c32a34a116ac | [
"COc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1",
"CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@@H]2NC(=O)CN2CCOCC2)cc1",
"CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC[C@@H]1C",
"CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)NCCc1cn(C)... | [
"4d0e3c959c45a190bd756c59d39e5157d2984815e092162019f54b1455c6ef5e",
"eea7c2ce4225ac8128cbaf1f802fb7047a75d684c78cdbcc3591ed055c69d172",
"0aeaaed519cfdca94ed17200bee3291d28062e67a1630d66674315cf0977e9e2",
"029be31135dd277b4e0bf7ac90459c18eb0a36623bdcc345f9996fef5dd90cea",
"625def3b8f277ce25e7bc1f1ce6293fbc0e... | 1.257132 |
pubchem:743314 | CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1 | eef13d0ddc1583f857d15a05ac7630261f515f789ae064f50087ef6127098fb5 | [
"COc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1",
"CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@@H]2NC(=O)CN2CCOCC2)cc1",
"CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC[C@@H]1C",
"CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)NCCc1cn(C)... | [
"4d0e3c959c45a190bd756c59d39e5157d2984815e092162019f54b1455c6ef5e",
"eea7c2ce4225ac8128cbaf1f802fb7047a75d684c78cdbcc3591ed055c69d172",
"0aeaaed519cfdca94ed17200bee3291d28062e67a1630d66674315cf0977e9e2",
"029be31135dd277b4e0bf7ac90459c18eb0a36623bdcc345f9996fef5dd90cea",
"625def3b8f277ce25e7bc1f1ce6293fbc0e... | 1.257132 |
pubchem:743314 | CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1 | eef13d0ddc1583f857d15a05ac7630261f515f789ae064f50087ef6127098fb5 | [
"O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCC1CCCO1",
"Cn1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1",
"CN1C(C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21",
"COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)... | [
"1dd344bdfdf4f243286d5716724c603d50cbb298d10a2f4aa876501bdee4f3d6",
"0ad19dab0fa40e8c9f83e1d1588a02e5972ad5c62c7a63dcf85ff02154422982",
"98cf8ae1bcad7f0a674916ed91dc22ae0918c7f22908a4dd942933982bff5551",
"603a049141ef764180cfb241dcc54880d7502bc4f94f2adda127ad9288abc225",
"b37793c69c8215706ef612ad1d03c375532... | 1.257132 |
pubchem:743314 | CC1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 | 69bb7678d0c3e9f19eb4f5dd888c2cf925a4ba42c6e2e367b38b73c4e6b8bad3 | [
"O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCC1CCCO1",
"Cn1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1",
"CN1C(C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21",
"COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)... | [
"1dd344bdfdf4f243286d5716724c603d50cbb298d10a2f4aa876501bdee4f3d6",
"0ad19dab0fa40e8c9f83e1d1588a02e5972ad5c62c7a63dcf85ff02154422982",
"98cf8ae1bcad7f0a674916ed91dc22ae0918c7f22908a4dd942933982bff5551",
"603a049141ef764180cfb241dcc54880d7502bc4f94f2adda127ad9288abc225",
"b37793c69c8215706ef612ad1d03c375532... | 1.25662 |
pubchem:743314 | CC1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 | 69bb7678d0c3e9f19eb4f5dd888c2cf925a4ba42c6e2e367b38b73c4e6b8bad3 | [
"N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12",
"O=C(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1",
"COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1",
"Cn1c(=O)[nH]c(=O)c2c1[nH]c(=S)n2Cc1ccccc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"COc1ccc(CN(C)C(=O)CCCNC... | [
"d1017f28330c497995e4252ce37119f38e23023c75f4dbceba3336a11b2234fc",
"e949b9781133cd21a138d970f7a469ae9fcdc7f6c8c3b0a098da881516275279",
"5cbf1ca62dbafb49297f3cfe40f05c15c184e1e9db096e49953101aa5b9e1442",
"63466a1507979331b5474e45b8bb997a0690f25545923ce638859e7c780d00aa",
"83d41bee10fc5efe5b1a854a3d426373903... | 1.25662 |
pubchem:743314 | CC(=NNC(=O)CC#N)c1cc2ccc(O)cc2oc1=O | 469bf8c987956af29aee8fa2f08ca78069c652c622b81be4f726b3e32262afe8 | [
"N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12",
"O=C(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1",
"COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1",
"Cn1c(=O)[nH]c(=O)c2c1[nH]c(=S)n2Cc1ccccc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"COc1ccc(CN(C)C(=O)CCCNC... | [
"d1017f28330c497995e4252ce37119f38e23023c75f4dbceba3336a11b2234fc",
"e949b9781133cd21a138d970f7a469ae9fcdc7f6c8c3b0a098da881516275279",
"5cbf1ca62dbafb49297f3cfe40f05c15c184e1e9db096e49953101aa5b9e1442",
"63466a1507979331b5474e45b8bb997a0690f25545923ce638859e7c780d00aa",
"83d41bee10fc5efe5b1a854a3d426373903... | 1.256506 |
pubchem:743314 | CC(=NNC(=O)CC#N)c1cc2ccc(O)cc2oc1=O | 469bf8c987956af29aee8fa2f08ca78069c652c622b81be4f726b3e32262afe8 | [
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(C)C",
"Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O",
"C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNCC2CCCCC2)cc1",
"C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1",
"COc1ccc(C(=O)NCc2... | [
"27de79fe3d35fd33556bcdd83d5cc4615babae2a4a8e4383d103ff435124c783",
"036f758045096e9d022f4b0c501c89344e878183de03c3790cebf20139477520",
"0261754f07f71316ccaeae25c3b741dd206f74ed6b7520a7cf7fbb4f50e0a174",
"12effc76b4311ead1c0c9ae72c321b7e076f2fa823aeb48bbd03af0c91f7423b",
"5c74e24a635b112023ca52d7c8fd068d8b1... | 1.256506 |
pubchem:743314 | COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C)C1 | 662d012a464b180cc684c44d02b2d0259cfe483c767df6d82109db1598877d5d | [
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(C)C",
"Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O",
"C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNCC2CCCCC2)cc1",
"C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1",
"COc1ccc(C(=O)NCc2... | [
"27de79fe3d35fd33556bcdd83d5cc4615babae2a4a8e4383d103ff435124c783",
"036f758045096e9d022f4b0c501c89344e878183de03c3790cebf20139477520",
"0261754f07f71316ccaeae25c3b741dd206f74ed6b7520a7cf7fbb4f50e0a174",
"12effc76b4311ead1c0c9ae72c321b7e076f2fa823aeb48bbd03af0c91f7423b",
"5c74e24a635b112023ca52d7c8fd068d8b1... | 1.25617 |
pubchem:743314 | COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C)C1 | 662d012a464b180cc684c44d02b2d0259cfe483c767df6d82109db1598877d5d | [
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ncc(-c3ccc(F)cc3)cc2C1=O",
"Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CCCCC1)OCCCC[C@@H](C)O2",
"C[C@@H]1CCCCO[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"O=c1cc(CN2CCOCC2)c2cc(Cl)c(O)cc2o1",
"C[... | [
"41aa400475170052435188701dfd2dcb5c4eff1c616da1d2366dff1954c6d526",
"a292ba12a206be648fddaacf4814217bcf5f90a0130fa57074072cfa8080e8a4",
"358459b93522f9de3e846699724d12ca7055cdd7ae9c7c9d8366cee17a790c02",
"bfc8f170d13bc800245750449bb1a155a3cd08102b2ecf30a0392ac96e0af7cd",
"63c4d72ddb9a497dbc6d035fed4b2361dcc... | 1.25617 |
pubchem:743314 | CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)NCc1ccccn1 | 6335539cacf5d743e63aad46675a87ad2f10147f1672450aa47b6478c0ede141 | [
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ncc(-c3ccc(F)cc3)cc2C1=O",
"Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CCCCC1)OCCCC[C@@H](C)O2",
"C[C@@H]1CCCCO[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"O=c1cc(CN2CCOCC2)c2cc(Cl)c(O)cc2o1",
"C[... | [
"41aa400475170052435188701dfd2dcb5c4eff1c616da1d2366dff1954c6d526",
"a292ba12a206be648fddaacf4814217bcf5f90a0130fa57074072cfa8080e8a4",
"358459b93522f9de3e846699724d12ca7055cdd7ae9c7c9d8366cee17a790c02",
"bfc8f170d13bc800245750449bb1a155a3cd08102b2ecf30a0392ac96e0af7cd",
"63c4d72ddb9a497dbc6d035fed4b2361dcc... | 1.255906 |
pubchem:743314 | CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)NCc1ccccn1 | 6335539cacf5d743e63aad46675a87ad2f10147f1672450aa47b6478c0ede141 | [
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C",
"COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)OCCCC[C@H](C)O3)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C",
"COc1ccc(S(=O)(=O)N(C)C[C... | [
"1b9773ca571dff87a54bcb31aa059a1d247fd7bed1f8125a08d241c3bec8b1db",
"361014322bfdce165e86bb88f7c570ad75365e14dee678d74fa59d43f40c3c29",
"b530952d0f9d569929a98b29da13d139290bc6f88b8443c0969eb9195fc472b4",
"c51a73fdf14db3cb8e6a8317c636ee4899c51ff1da1c3a8b0f0f09b692d4c805",
"aa51b9bd04bcbed58b431a1bf5aa0d5b7ae... | 1.255906 |
pubchem:743314 | COCC(=O)N1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1C(C(=O)N1CCOCC1)[C@@H]2CO | d4f26d8e74b96759c8e30d7063c091838394a73278b3d6c09246642bfa27770c | [
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C",
"COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)OCCCC[C@H](C)O3)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C",
"COc1ccc(S(=O)(=O)N(C)C[C... | [
"1b9773ca571dff87a54bcb31aa059a1d247fd7bed1f8125a08d241c3bec8b1db",
"361014322bfdce165e86bb88f7c570ad75365e14dee678d74fa59d43f40c3c29",
"b530952d0f9d569929a98b29da13d139290bc6f88b8443c0969eb9195fc472b4",
"c51a73fdf14db3cb8e6a8317c636ee4899c51ff1da1c3a8b0f0f09b692d4c805",
"aa51b9bd04bcbed58b431a1bf5aa0d5b7ae... | 1.255711 |
pubchem:743314 | COCC(=O)N1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1C(C(=O)N1CCOCC1)[C@@H]2CO | d4f26d8e74b96759c8e30d7063c091838394a73278b3d6c09246642bfa27770c | [
"CCN(CC)C(=O)c1ncn(C)c1C(=O)N(CC)CC",
"C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)S(C)(=O)=O",
"O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1",
"CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC1",
"COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]... | [
"13ca12be67cf17108dd67e7c27444e28abf52cc1d33fe733a970952cb7aca472",
"8645cb26fdd71b0d5c47e996bd09d789b3afcb93d980195e0a4ff51e38fb9848",
"e506eacbb72515c1beff43def41c6f622acfb21153bfed4a410ec1c10750667f",
"b971ae2743a9ae9663ee6e6e87fa26835990660de2b8ac75b3bf061546fb9a48",
"93c2a324c18d3cd76266d86060fa3b6e668... | 1.255711 |
pubchem:743314 | Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12 | 77bcc7277c3661de5b2222b04a661ceacce68977f42089f9d6be46b31264e903 | [
"CCN(CC)C(=O)c1ncn(C)c1C(=O)N(CC)CC",
"C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)S(C)(=O)=O",
"O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1",
"CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC1",
"COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cccnc5)CC(=O)N4[C@H]... | [
"13ca12be67cf17108dd67e7c27444e28abf52cc1d33fe733a970952cb7aca472",
"8645cb26fdd71b0d5c47e996bd09d789b3afcb93d980195e0a4ff51e38fb9848",
"e506eacbb72515c1beff43def41c6f622acfb21153bfed4a410ec1c10750667f",
"b971ae2743a9ae9663ee6e6e87fa26835990660de2b8ac75b3bf061546fb9a48",
"93c2a324c18d3cd76266d86060fa3b6e668... | 1.255647 |
pubchem:743314 | Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12 | 77bcc7277c3661de5b2222b04a661ceacce68977f42089f9d6be46b31264e903 | [
"CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)CC1",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccccc1",
"Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)C... | [
"873bcbc0d24067dd3e3fc13d77d490acde058feb41ffd95a36ec5f7b2fcd56a3",
"c2f4cfd26565bec796162b85fa4a4b22bcb19d68d8b2ea1097bef97f220326fd",
"fb51408b6db65ff26647f8371236039351007fa3949369d4ff38aaea485826f1",
"f546f0da91df4121779f56f224257ebda7cbec87ff841211b2e58f9048aa5a30",
"a0e3ee93a012961a1954590073176a4babd... | 1.255647 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.