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 |
|---|---|---|---|---|---|
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2[nH]nnc2c1 | b137a207a120977fd5e5221fe2173773c68879f525c0402885c7831b06098231 | [
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1"
] | [
"8154e7f5feb6b578833bbe2afb1888871d969ab758d694c67d215175222c5939",
"60df4bfc0bcaf818b91c17e35f01a80f212a221d8d39bec62e61031cb7786143",
"cfe8cf36c81e88ba15c0a5a306cf331eb201d83acb0923fdf7a6ed3404f94c97",
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53b... | 1.639 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2[nH]nnc2c1 | b137a207a120977fd5e5221fe2173773c68879f525c0402885c7831b06098231 | [
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1"
] | [
"05d2a9250fc1d67e32cfbf240ce7117285dfc950958d5b8afd51858380100a54",
"311279c5bac2214fb8204359b9076c68cb3193e23c32fc56afb83e8196980c2a",
"031bcdc2d81a9e27236d34b9fa87340599200ce1b9504861169c86ec41866f86",
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a... | 1.639 |
chembl:1834605 | CCn1ncc2ccc(NC(=O)COc3ccccc3C)cc21 | fcfa2b88b786303c4b1b732d06e6d338ae1d4fa6b8fb41e19206b388725eaea9 | [
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1"
] | [
"05d2a9250fc1d67e32cfbf240ce7117285dfc950958d5b8afd51858380100a54",
"311279c5bac2214fb8204359b9076c68cb3193e23c32fc56afb83e8196980c2a",
"031bcdc2d81a9e27236d34b9fa87340599200ce1b9504861169c86ec41866f86",
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a... | 1.631667 |
chembl:1834605 | CCn1ncc2ccc(NC(=O)COc3ccccc3C)cc21 | fcfa2b88b786303c4b1b732d06e6d338ae1d4fa6b8fb41e19206b388725eaea9 | [
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1"
] | [
"ee45ed4c2c79b2788f7612cd0a3916a51c6551d684af3c21e2c6136a3ce4d5bf",
"aa5de3bf3e39c5c9f5e3aa55b5d36748e8495a058440b02332224869c80da873",
"0b82ce004f68ede94fa356d1c16ac0c67bd78e5ab0b659b631e3e2cc4f85cb1c",
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9be... | 1.631667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cc[nH]c2c1 | f6fe5d112f0cf4a23c7e9dcf3ddc7f6a0f1d6576a4ac2fe1271773532df74eee | [
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1"
] | [
"ee45ed4c2c79b2788f7612cd0a3916a51c6551d684af3c21e2c6136a3ce4d5bf",
"aa5de3bf3e39c5c9f5e3aa55b5d36748e8495a058440b02332224869c80da873",
"0b82ce004f68ede94fa356d1c16ac0c67bd78e5ab0b659b631e3e2cc4f85cb1c",
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9be... | 1.631 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cc[nH]c2c1 | f6fe5d112f0cf4a23c7e9dcf3ddc7f6a0f1d6576a4ac2fe1271773532df74eee | [
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1"
] | [
"60df4bfc0bcaf818b91c17e35f01a80f212a221d8d39bec62e61031cb7786143",
"cfe8cf36c81e88ba15c0a5a306cf331eb201d83acb0923fdf7a6ed3404f94c97",
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589... | 1.631 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2c(ccn2C)c1 | 85a01125d47e2af10e2eb1423d68a0483f58a18605a896f400d1fee146c63902 | [
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1"
] | [
"60df4bfc0bcaf818b91c17e35f01a80f212a221d8d39bec62e61031cb7786143",
"cfe8cf36c81e88ba15c0a5a306cf331eb201d83acb0923fdf7a6ed3404f94c97",
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589... | 1.629 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2c(ccn2C)c1 | 85a01125d47e2af10e2eb1423d68a0483f58a18605a896f400d1fee146c63902 | [
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1"
] | [
"311279c5bac2214fb8204359b9076c68cb3193e23c32fc56afb83e8196980c2a",
"031bcdc2d81a9e27236d34b9fa87340599200ce1b9504861169c86ec41866f86",
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcb... | 1.629 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2c(cnn2C)c1 | d620efda8d343932dc5f892a138d83632627d2f2c2b5660a2f88794dcbd6c485 | [
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1"
] | [
"311279c5bac2214fb8204359b9076c68cb3193e23c32fc56afb83e8196980c2a",
"031bcdc2d81a9e27236d34b9fa87340599200ce1b9504861169c86ec41866f86",
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcb... | 1.627333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2c(cnn2C)c1 | d620efda8d343932dc5f892a138d83632627d2f2c2b5660a2f88794dcbd6c485 | [
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1"
] | [
"aa5de3bf3e39c5c9f5e3aa55b5d36748e8495a058440b02332224869c80da873",
"0b82ce004f68ede94fa356d1c16ac0c67bd78e5ab0b659b631e3e2cc4f85cb1c",
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7... | 1.627333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nn(C)nc2c1 | f503cf8a077ebc14f7d0c28b45e6a354eb50547d551d70eaf3f753c04975d04d | [
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1"
] | [
"aa5de3bf3e39c5c9f5e3aa55b5d36748e8495a058440b02332224869c80da873",
"0b82ce004f68ede94fa356d1c16ac0c67bd78e5ab0b659b631e3e2cc4f85cb1c",
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7... | 1.627333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nn(C)nc2c1 | f503cf8a077ebc14f7d0c28b45e6a354eb50547d551d70eaf3f753c04975d04d | [
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1"
] | [
"cfe8cf36c81e88ba15c0a5a306cf331eb201d83acb0923fdf7a6ed3404f94c97",
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e... | 1.627333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cn(C)nc2c1 | a2191e4f39b0db2976ca72c1b8f7cf30e4ccf64832f1cf38f01fe5c69b462e8f | [
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1"
] | [
"cfe8cf36c81e88ba15c0a5a306cf331eb201d83acb0923fdf7a6ed3404f94c97",
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e... | 1.626667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cn(C)nc2c1 | a2191e4f39b0db2976ca72c1b8f7cf30e4ccf64832f1cf38f01fe5c69b462e8f | [
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1"
] | [
"031bcdc2d81a9e27236d34b9fa87340599200ce1b9504861169c86ec41866f86",
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d... | 1.626667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2[nH]ccc2c1 | 25676dcd021cb630760464465f0273c6076c63aa651fcb1a69cd2a683e5e2ea1 | [
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1"
] | [
"031bcdc2d81a9e27236d34b9fa87340599200ce1b9504861169c86ec41866f86",
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d... | 1.624333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2[nH]ccc2c1 | 25676dcd021cb630760464465f0273c6076c63aa651fcb1a69cd2a683e5e2ea1 | [
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1"
] | [
"0b82ce004f68ede94fa356d1c16ac0c67bd78e5ab0b659b631e3e2cc4f85cb1c",
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7493791740d1c9c045efddfedbcc7f",
"8154e7f5feb6b578833bbe2afb1888871d9... | 1.624333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nn(C)cc2c1 | 73fcaa0ec83ad346d0bcba606efb80964ac60c5a565c6f6936ed314d7c26d1fc | [
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1"
] | [
"0b82ce004f68ede94fa356d1c16ac0c67bd78e5ab0b659b631e3e2cc4f85cb1c",
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7493791740d1c9c045efddfedbcc7f",
"8154e7f5feb6b578833bbe2afb1888871d9... | 1.623 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nn(C)cc2c1 | 73fcaa0ec83ad346d0bcba606efb80964ac60c5a565c6f6936ed314d7c26d1fc | [
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1"
] | [
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e1c1a5cc85640a571bfb8c93c8fecf",
"05d2a9250fc1d67e32cfbf240ce7117285d... | 1.623 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cccnc2c1 | caeddc7c6fdfc85662c8f619a86d8623fb95f1597f8f41c6964ae068c8d8fca6 | [
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1"
] | [
"7a09d9fd35cd3f93fa70f6f6223367f7b2a22e70b302d2b163b6e36ea49f3384",
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e1c1a5cc85640a571bfb8c93c8fecf",
"05d2a9250fc1d67e32cfbf240ce7117285d... | 1.620667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cccnc2c1 | caeddc7c6fdfc85662c8f619a86d8623fb95f1597f8f41c6964ae068c8d8fca6 | [
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1"
] | [
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d952cb0e949e7530f600d07f84bf2b",
"ee45ed4c2c79b2788f7612cd0a3916a51c6... | 1.620667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nnn(C)c2c1 | ee818819e637fffc0269263572e96111fddaccb4ce70f009c235381595536ae9 | [
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1"
] | [
"0fe6ec710400b8798b2b6e61a17dd93331350cb33ec275de14fdf8b28d4db471",
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d952cb0e949e7530f600d07f84bf2b",
"ee45ed4c2c79b2788f7612cd0a3916a51c6... | 1.620333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nnn(C)c2c1 | ee818819e637fffc0269263572e96111fddaccb4ce70f009c235381595536ae9 | [
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1"
] | [
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7493791740d1c9c045efddfedbcc7f",
"8154e7f5feb6b578833bbe2afb1888871d969ab758d694c67d215175222c5939",
"60df4bfc0bcaf818b91c17e35f01a80f212... | 1.620333 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2c(c1)ncn2C | 145fa8f89ae18e02e611d2a4411f70736cdc56ccc6fc3f8c43bfdd548c7b614a | [
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1"
] | [
"b5d8f45f6bce2a41e0d484759bf3f78ca2ec9580fcbbe6ec00eb7d6be6d16175",
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7493791740d1c9c045efddfedbcc7f",
"8154e7f5feb6b578833bbe2afb1888871d969ab758d694c67d215175222c5939",
"60df4bfc0bcaf818b91c17e35f01a80f212... | 1.617667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2c(c1)ncn2C | 145fa8f89ae18e02e611d2a4411f70736cdc56ccc6fc3f8c43bfdd548c7b614a | [
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1"
] | [
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e1c1a5cc85640a571bfb8c93c8fecf",
"05d2a9250fc1d67e32cfbf240ce7117285dfc950958d5b8afd51858380100a54",
"311279c5bac2214fb8204359b9076c68cb3... | 1.617667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cncnc2c1 | d3f365ad4ae855f98c2d531179212c5044c57021546982249499e2a8555fa634 | [
"O=C(COc1ccccc1)Nc1cccnc1",
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1"
] | [
"110effd50e50df8f32c27082e12c150e53bcac72dd1fe7f4f58b5a65e8880f6b",
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e1c1a5cc85640a571bfb8c93c8fecf",
"05d2a9250fc1d67e32cfbf240ce7117285dfc950958d5b8afd51858380100a54",
"311279c5bac2214fb8204359b9076c68cb3... | 1.614 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2cncnc2c1 | d3f365ad4ae855f98c2d531179212c5044c57021546982249499e2a8555fa634 | [
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1"
] | [
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d952cb0e949e7530f600d07f84bf2b",
"ee45ed4c2c79b2788f7612cd0a3916a51c6551d684af3c21e2c6136a3ce4d5bf",
"aa5de3bf3e39c5c9f5e3aa55b5d36748e84... | 1.614 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nccnc2c1 | b2ae340abf1129eab6c7381f93342891eec147fd1ee120da0f05b83abdd11bcf | [
"Cc1ccccc1OCC(=O)Nc1cccnc1",
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1"
] | [
"959a75d6052333a316d360459334ecd3c9a5b8bacd75e820c4ad2f90923f8d0c",
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d952cb0e949e7530f600d07f84bf2b",
"ee45ed4c2c79b2788f7612cd0a3916a51c6551d684af3c21e2c6136a3ce4d5bf",
"aa5de3bf3e39c5c9f5e3aa55b5d36748e84... | 1.614 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2nccnc2c1 | b2ae340abf1129eab6c7381f93342891eec147fd1ee120da0f05b83abdd11bcf | [
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1"
] | [
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7493791740d1c9c045efddfedbcc7f",
"8154e7f5feb6b578833bbe2afb1888871d969ab758d694c67d215175222c5939",
"60df4bfc0bcaf818b91c17e35f01a80f212a221d8d39bec62e61031cb7786143",
"cfe8cf36c81e88ba15c0a5a306cf331eb20... | 1.614 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2ncn(C)c2c1 | 496d6694d6a33d93954ed9ce4d0fb3b8b6dd062047364d81d6ff5b15e2caae6c | [
"COc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1cccc(C)c1OCC(=O)Nc1cccnc1",
"O=C(COc1cccc(Cl)c1)Nc1cccnc1",
"O=C(COc1ccccc1Cl)Nc1cccnc1",
"O=C(COc1ccccc1F)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccn(C)n1",
"O=C(COc1ccccc1)Nc1cccnc1"
] | [
"edb4be161c19a7e4046604b2bd5b73fc9bebd2ec61865c8018b473e1a04c5b69",
"fd2acac6ea67e5482568fea849b3aa23ea7493791740d1c9c045efddfedbcc7f",
"8154e7f5feb6b578833bbe2afb1888871d969ab758d694c67d215175222c5939",
"60df4bfc0bcaf818b91c17e35f01a80f212a221d8d39bec62e61031cb7786143",
"cfe8cf36c81e88ba15c0a5a306cf331eb20... | 1.608667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2ncn(C)c2c1 | 496d6694d6a33d93954ed9ce4d0fb3b8b6dd062047364d81d6ff5b15e2caae6c | [
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1"
] | [
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e1c1a5cc85640a571bfb8c93c8fecf",
"05d2a9250fc1d67e32cfbf240ce7117285dfc950958d5b8afd51858380100a54",
"311279c5bac2214fb8204359b9076c68cb3193e23c32fc56afb83e8196980c2a",
"031bcdc2d81a9e27236d34b9fa873405992... | 1.608667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2ccncc2c1 | f25987a0c1c24b9421387434760589a868c5804c1dc73830d85e7e05bd6c5d51 | [
"Cc1ccccc1SCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)Nc1ccc2ccccc2n1",
"O=C(COc1ccccc1C(F)(F)F)Nc1cccnc1",
"Cc1cc(F)ccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1NCC(=O)Nc1cccnc1",
"Cc1cccc(OCC(=O)Nc2ccc3cnccc3c2)c1",
"Cc1ccccc1OCC(=O)Nc1cccnc1"
] | [
"e2764fb562a84c6b8cfd7cc88f11ba3d589a988052018d9557bd307a84b4c644",
"677fb2324fb5408ed4b7e3f953c7033d80e1c1a5cc85640a571bfb8c93c8fecf",
"05d2a9250fc1d67e32cfbf240ce7117285dfc950958d5b8afd51858380100a54",
"311279c5bac2214fb8204359b9076c68cb3193e23c32fc56afb83e8196980c2a",
"031bcdc2d81a9e27236d34b9fa873405992... | 1.608667 |
chembl:1834605 | Cc1ccccc1OCC(=O)Nc1ccc2ccncc2c1 | f25987a0c1c24b9421387434760589a868c5804c1dc73830d85e7e05bd6c5d51 | [
"N#Cc1ccccc1OCC(=O)Nc1cccnc1",
"Cc1ccccc1CCC(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)NCc1cccnc1",
"Cc1ccccc1N(C)CC(=O)Nc1cccnc1",
"Cc1ccccc1OC(C)C(=O)Nc1cccnc1",
"Cc1ccccc1OCC(=O)N(C)c1cccnc1",
"COc1ccccc1OCC(=O)Nc1cccnc1"
] | [
"5895f64513cca260925b7b9c0db7273bfcbf8595b36f9e09f660c652edf49f39",
"4afc918e55c23181e5a259dc8509f7da23d952cb0e949e7530f600d07f84bf2b",
"ee45ed4c2c79b2788f7612cd0a3916a51c6551d684af3c21e2c6136a3ce4d5bf",
"aa5de3bf3e39c5c9f5e3aa55b5d36748e8495a058440b02332224869c80da873",
"0b82ce004f68ede94fa356d1c16ac0c67bd... | 1.608667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccccc2)=NO)s1 | ed3a7b941906f27e7858c37a3694f6ee590d55e47aacb36f05c925fc16fccf6b | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c... | [
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.704667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccccc2)=NO)s1 | ed3a7b941906f27e7858c37a3694f6ee590d55e47aacb36f05c925fc16fccf6b | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b74... | 1.704667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)s1 | 0f2b069bdccbad2a6ec6e7d8c68596dcc485f13a0d6fbd32b3ef67ad6029ee28 | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b74... | 1.695667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)s1 | 0f2b069bdccbad2a6ec6e7d8c68596dcc485f13a0d6fbd32b3ef67ad6029ee28 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O... | [
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f32... | 1.695667 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)=NO)cc1 | a8ccc951fca3b7f72fec001e521d1dc94aae50065ee4a291debd2da20ebda340 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O... | [
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f32... | 1.690333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)=NO)cc1 | a8ccc951fca3b7f72fec001e521d1dc94aae50065ee4a291debd2da20ebda340 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc9... | 1.690333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | 6254580b2a8cb89c6ddd7db68d9d09425edf7992abab92a6a0c0cabafb7c351e | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc9... | 1.690333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | 6254580b2a8cb89c6ddd7db68d9d09425edf7992abab92a6a0c0cabafb7c351e | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",... | [
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fed... | 1.690333 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OC2CCCCO2)s1 | 7c4e4be13097600f3b9ef9b07ac57c8c4cc2a0c0e7a87e1435bd903f07e7b949 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",... | [
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fed... | 1.686333 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OC2CCCCO2)s1 | 7c4e4be13097600f3b9ef9b07ac57c8c4cc2a0c0e7a87e1435bd903f07e7b949 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885... | 1.686333 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1 | fd4de674ad0fe2991174b6464d6729ea0a2890b1e944f9c2ea3cb557d959c7d1 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885... | 1.684667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1 | fd4de674ad0fe2991174b6464d6729ea0a2890b1e944f9c2ea3cb557d959c7d1 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc... | [
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d8... | 1.684667 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 244ecc51214aee1849e9c0aece706c706ce31626c24ab01271c3f5d2bf57d8db | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc... | [
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d8... | 1.674333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 244ecc51214aee1849e9c0aece706c706ce31626c24ab01271c3f5d2bf57d8db | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)... | [
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd... | 1.674333 |
chembl:1834732 | NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO | 03914bc9b871117895003b1c6cf03fa4ffcf8a2d26fbc3786ab87af34224f831 | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)... | [
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd... | 1.672 |
chembl:1834732 | NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO | 03914bc9b871117895003b1c6cf03fa4ffcf8a2d26fbc3786ab87af34224f831 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc... | [
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cb... | 1.672 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccc(O)cc2)=NO)s1 | 9e11be91b2389aba49597a0bc80eacb82c4017448dbc17457388c82dbad55f3c | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc... | [
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cb... | 1.665667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccc(O)cc2)=NO)s1 | 9e11be91b2389aba49597a0bc80eacb82c4017448dbc17457388c82dbad55f3c | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)... | [
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37... | 1.665667 |
chembl:1834732 | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | 9b5e6b3ae5dd943302f608ac24566692287585b285c499c4940bc99204b0f077 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)... | [
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37... | 1.661667 |
chembl:1834732 | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | 9b5e6b3ae5dd943302f608ac24566692287585b285c499c4940bc99204b0f077 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C... | [
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a0... | 1.661667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OC2CCCCO2)s1 | 6e304745f02e66bcc0d3f5329e436ca90ceafc4bf8166a11e36c048688b31236 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C... | [
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a0... | 1.660333 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OC2CCCCO2)s1 | 6e304745f02e66bcc0d3f5329e436ca90ceafc4bf8166a11e36c048688b31236 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=... | [
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071... | 1.660333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Br)c2)=NO)cc1 | a3245815f9371bdddfa4eccd4e3678203e2b484ea35a1b08bf76d9f46e4b6ca1 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=... | [
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071... | 1.66 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Br)c2)=NO)cc1 | a3245815f9371bdddfa4eccd4e3678203e2b484ea35a1b08bf76d9f46e4b6ca1 | [
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/... | [
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264f... | 1.66 |
chembl:1834732 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1 | 0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e | [
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/... | [
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264f... | 1.657333 |
chembl:1834732 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1 | 0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O... | [
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab... | 1.657333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1 | 6bf8bada7ef679ecadd596b72ee93fc2ca1789c2fb8ad577281b3471a35846c1 | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O... | [
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab... | 1.656667 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1 | 6bf8bada7ef679ecadd596b72ee93fc2ca1789c2fb8ad577281b3471a35846c1 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(... | [
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a... | 1.656667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2cccc(Br)c2)=NO)s1 | 4c2206462541b4f65bf7254fedc290f423d8df47f888650ab50c7f326f47ec1c | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(... | [
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a... | 1.642667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2cccc(Br)c2)=NO)s1 | 4c2206462541b4f65bf7254fedc290f423d8df47f888650ab50c7f326f47ec1c | [
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(C... | [
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4... | 1.642667 |
chembl:1834732 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 5fe35e46c73a99f071ea632c1f68438743f4e4d7976eb0d6ce240e3f4bb4f50c | [
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(C... | [
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4... | 1.637667 |
chembl:1834732 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 5fe35e46c73a99f071ea632c1f68438743f4e4d7976eb0d6ce240e3f4bb4f50c | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c... | [
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.637667 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1 | 877dbd9b1796a4c8201e260a6b449fe49e9e140f378b2d3ac630d0a35f46f5e8 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c... | [
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.633333 |
chembl:1834732 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1 | 877dbd9b1796a4c8201e260a6b449fe49e9e140f378b2d3ac630d0a35f46f5e8 | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b74... | 1.633333 |
chembl:1834732 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 25637d94d3b44445417e48d5287ed81529d6964d761afaace7458a3a5d2323a9 | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"46f792a8ba1f9e8a90dff707ebff73f9b74... | 1.623667 |
chembl:1834732 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 25637d94d3b44445417e48d5287ed81529d6964d761afaace7458a3a5d2323a9 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O... | [
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f32... | 1.623667 |
chembl:1834732 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | d88ac4d70472abc4c943e5b300b5ea233d1af1d910ee2576cb1e134bad78955c | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O... | [
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a",
"2c671d46374d9c98c40982aa525b8056f32... | 1.623333 |
chembl:1834732 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | d88ac4d70472abc4c943e5b300b5ea233d1af1d910ee2576cb1e134bad78955c | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc9... | 1.623333 |
chembl:1834732 | NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1 | 48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(NC(=O)/... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"bef9a8cdd726460995ceb170354b6e61dc9... | 1.621667 |
chembl:1834732 | NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1 | 48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",... | [
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fed... | 1.621667 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)s1 | cc275b8e0751853c70334d5541703d8e164d8bc8140db3abb4aaf7c3fdd9720d | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",... | [
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"5b640069360763920d93c348dff02b70fed... | 1.609333 |
chembl:1834732 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)s1 | cc275b8e0751853c70334d5541703d8e164d8bc8140db3abb4aaf7c3fdd9720d | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"b058f838d1fac314c91c18885ac474d6885... | 1.609333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OC2CCCCO2)s1 | 7c4e4be13097600f3b9ef9b07ac57c8c4cc2a0c0e7a87e1435bd903f07e7b949 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"N... | [
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264f... | 1.708333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OC2CCCCO2)s1 | 7c4e4be13097600f3b9ef9b07ac57c8c4cc2a0c0e7a87e1435bd903f07e7b949 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1cc... | [
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a... | 1.708333 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO | 03914bc9b871117895003b1c6cf03fa4ffcf8a2d26fbc3786ab87af34224f831 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1cc... | [
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a... | 1.708333 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO | 03914bc9b871117895003b1c6cf03fa4ffcf8a2d26fbc3786ab87af34224f831 | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fed... | 1.708333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccccc2)=NO)s1 | ed3a7b941906f27e7858c37a3694f6ee590d55e47aacb36f05c925fc16fccf6b | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fed... | 1.708333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccccc2)=NO)s1 | ed3a7b941906f27e7858c37a3694f6ee590d55e47aacb36f05c925fc16fccf6b | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1cccc... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f32... | 1.708333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)s1 | 0f2b069bdccbad2a6ec6e7d8c68596dcc485f13a0d6fbd32b3ef67ad6029ee28 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1cccc... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f32... | 1.683667 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)s1 | 0f2b069bdccbad2a6ec6e7d8c68596dcc485f13a0d6fbd32b3ef67ad6029ee28 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885... | 1.683667 |
chembl:1834733 | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | 9b5e6b3ae5dd943302f608ac24566692287585b285c499c4940bc99204b0f077 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885... | 1.683 |
chembl:1834733 | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | 9b5e6b3ae5dd943302f608ac24566692287585b285c499c4940bc99204b0f077 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=... | [
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37... | 1.683 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccc(O)cc2)=NO)s1 | 9e11be91b2389aba49597a0bc80eacb82c4017448dbc17457388c82dbad55f3c | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=... | [
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37... | 1.679667 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2ccc(O)cc2)=NO)s1 | 9e11be91b2389aba49597a0bc80eacb82c4017448dbc17457388c82dbad55f3c | [
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c... | [
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd... | 1.679667 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)=NO)cc1 | a8ccc951fca3b7f72fec001e521d1dc94aae50065ee4a291debd2da20ebda340 | [
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c... | [
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd... | 1.678333 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)=NO)cc1 | a8ccc951fca3b7f72fec001e521d1dc94aae50065ee4a291debd2da20ebda340 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2c... | [
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e... | 1.678333 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | 6254580b2a8cb89c6ddd7db68d9d09425edf7992abab92a6a0c0cabafb7c351e | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2c... | [
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e... | 1.664667 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | 6254580b2a8cb89c6ddd7db68d9d09425edf7992abab92a6a0c0cabafb7c351e | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c... | [
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.664667 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 244ecc51214aee1849e9c0aece706c706ce31626c24ab01271c3f5d2bf57d8db | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c... | [
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.664 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 244ecc51214aee1849e9c0aece706c706ce31626c24ab01271c3f5d2bf57d8db | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"... | [
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4... | 1.664 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1 | 6bf8bada7ef679ecadd596b72ee93fc2ca1789c2fb8ad577281b3471a35846c1 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"... | [
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4... | 1.656667 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1 | 6bf8bada7ef679ecadd596b72ee93fc2ca1789c2fb8ad577281b3471a35846c1 | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1c... | [
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab... | 1.656667 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OC2CCCCO2)s1 | 6e304745f02e66bcc0d3f5329e436ca90ceafc4bf8166a11e36c048688b31236 | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1c... | [
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab... | 1.656667 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccc(O)cc2)=N/OC2CCCCO2)s1 | 6e304745f02e66bcc0d3f5329e436ca90ceafc4bf8166a11e36c048688b31236 | [
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccc... | [
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843... | 1.656667 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Br)c2)=NO)cc1 | a3245815f9371bdddfa4eccd4e3678203e2b484ea35a1b08bf76d9f46e4b6ca1 | [
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccc... | [
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843... | 1.656 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Br)c2)=NO)cc1 | a3245815f9371bdddfa4eccd4e3678203e2b484ea35a1b08bf76d9f46e4b6ca1 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(C... | [
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758... | 1.656 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1 | fd4de674ad0fe2991174b6464d6729ea0a2890b1e944f9c2ea3cb557d959c7d1 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(C... | [
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758... | 1.655333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1 | fd4de674ad0fe2991174b6464d6729ea0a2890b1e944f9c2ea3cb557d959c7d1 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(... | [
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8... | 1.655333 |
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