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:743314 | CCc1c(C)c2cc(Cl)c(O)c(CN(CC)CC)c2oc1=O | 10397bdec56b08ed77e4f70d53ed377aa074ea848e2c451628edd4f9de247ba2 | [
"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... | 1.255477 |
pubchem:743314 | CCc1c(C)c2cc(Cl)c(O)c(CN(CC)CC)c2oc1=O | 10397bdec56b08ed77e4f70d53ed377aa074ea848e2c451628edd4f9de247ba2 | [
"Cc1cc(C)cc(N2CC(c3nc4ccccc4n3C)CC2=O)c1",
"COc1cc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)oc2cc1OC",
"C=CCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1",
"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... | [
"f37c29cc65dd72e9462ae8f10499bf09bf2f48d7a849f6c18d119301f0e02e42",
"dacb5653560ef51fda6f591323b88b687c98fc7564a4252091f2401d819a0610",
"48636f1725c31fa5d72f873853739a0189c77c0bf099ea7711a067832530e9a2",
"3f93501366891cf249208991314cf9760fe315016ad68ce408a6d6880eb9e80b",
"7f6c0714edffe1b4a1ca8d29f6169824401... | 1.255477 |
pubchem:743314 | O=C(NCC1CC1)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 | aedaae7420028895163c2ce1d8a51f742a2da23ced3bf609a9694566928c95e8 | [
"Cc1cc(C)cc(N2CC(c3nc4ccccc4n3C)CC2=O)c1",
"COc1cc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)oc2cc1OC",
"C=CCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1",
"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... | [
"f37c29cc65dd72e9462ae8f10499bf09bf2f48d7a849f6c18d119301f0e02e42",
"dacb5653560ef51fda6f591323b88b687c98fc7564a4252091f2401d819a0610",
"48636f1725c31fa5d72f873853739a0189c77c0bf099ea7711a067832530e9a2",
"3f93501366891cf249208991314cf9760fe315016ad68ce408a6d6880eb9e80b",
"7f6c0714edffe1b4a1ca8d29f6169824401... | 1.254897 |
pubchem:743314 | O=C(NCC1CC1)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 | aedaae7420028895163c2ce1d8a51f742a2da23ced3bf609a9694566928c95e8 | [
"CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2",
"COCc1cn(CC[C@@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1",
"CC(=O)Oc1ccc(-c2cc3c(OC(C)=O)cc(OC(C)=O)cc3oc2=O)cc1",
"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[... | [
"654feafaa8eb53c9e48e57aec4ac7c83b0a6d71327998f9059dcc811eef7d8d1",
"1187c4871b8372cd5c979fa4fe2c0856c289f192bec14b12d33415a18847cdaa",
"404ddf32d69c94fb668f066c079d436221755b3e61d64f11b8e988568f892c97",
"9371662546846d94b10d5836c0089eef8e113db9be6db5c4a2462b93d788c3c4",
"ca13f59bd07d2e6582e39731b078ad477a9... | 1.254897 |
pubchem:743314 | CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12 | 8a9ae14cfbee8222141f8ffe2f282bb612dee6e6e96bea2a21de440331c93917 | [
"CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2",
"COCc1cn(CC[C@@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1",
"CC(=O)Oc1ccc(-c2cc3c(OC(C)=O)cc(OC(C)=O)cc3oc2=O)cc1",
"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[... | [
"654feafaa8eb53c9e48e57aec4ac7c83b0a6d71327998f9059dcc811eef7d8d1",
"1187c4871b8372cd5c979fa4fe2c0856c289f192bec14b12d33415a18847cdaa",
"404ddf32d69c94fb668f066c079d436221755b3e61d64f11b8e988568f892c97",
"9371662546846d94b10d5836c0089eef8e113db9be6db5c4a2462b93d788c3c4",
"ca13f59bd07d2e6582e39731b078ad477a9... | 1.254897 |
pubchem:743314 | CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12 | 8a9ae14cfbee8222141f8ffe2f282bb612dee6e6e96bea2a21de440331c93917 | [
"CNC[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)sc(C(=O)NC)c1C",
"N#Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)c2)sc2c1CCCC2",
"Cc1c(O)ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc12",
"COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)O)c1C#N",
"CCn1cnc2c1c(... | [
"a6815fd72251dbbbb3feceb5bcc36748aa64db91d06e1e1447251df7fb5ac504",
"39398992e65feda30037fdd7e99f51f3f5c7717b881ba2f8a9007382300d16e7",
"0d19d26853b71875b944b8c4db4d390c1400c505d2fb66ee05565d6c30e038fc",
"0b392bf63ca5bf274df0bd3f2df21f22abe0848e016463a58693d3bf3caf962d",
"e8930ef6b42d8a5bc5ad26d49487fe4e3c0... | 1.254897 |
pubchem:743314 | CCCCc1cc(=O)oc2cc(O)ccc12 | b433e6f7dc834755cc0efc5bc9da4449deac5cac0e750098f7ab7493d865cb83 | [
"CNC[C@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)sc(C(=O)NC)c1C",
"N#Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)c2)sc2c1CCCC2",
"Cc1c(O)ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc12",
"COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)O)c1C#N",
"CCn1cnc2c1c(... | [
"a6815fd72251dbbbb3feceb5bcc36748aa64db91d06e1e1447251df7fb5ac504",
"39398992e65feda30037fdd7e99f51f3f5c7717b881ba2f8a9007382300d16e7",
"0d19d26853b71875b944b8c4db4d390c1400c505d2fb66ee05565d6c30e038fc",
"0b392bf63ca5bf274df0bd3f2df21f22abe0848e016463a58693d3bf3caf962d",
"e8930ef6b42d8a5bc5ad26d49487fe4e3c0... | 1.254655 |
pubchem:743314 | CCCCc1cc(=O)oc2cc(O)ccc12 | b433e6f7dc834755cc0efc5bc9da4449deac5cac0e750098f7ab7493d865cb83 | [
"CNc1cncc(-c2cccc(C(=O)N(C)C)c2)n1",
"CCOc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1",
"COc1ccccc1OCCNC(=O)C1CCCCC1",
"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)C2CC... | [
"25b3b294748de5eeb80380c640c616f0b0f515a7de7548f36678254b83c6099c",
"9e305e5696cb0444a32b64402ba4375cc4fecfaa93c26e75d7990fc0b3da4624",
"e5eb3698831e30d92b5832fd21775a33ffefd1a20d8726f37a22e4b44c87ada3",
"bca84e4b8f3c780965c0b47fa8da45f712982958f9e444da2af370420ec523b5",
"2ae92f74b631c7a9bbc4f6f8d5d004f65c1... | 1.254655 |
pubchem:743314 | CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12 | 72d3cb934e160036e94f08cc0fc587c240ebe257724e357285528dc0ac77ae4c | [
"CNc1cncc(-c2cccc(C(=O)N(C)C)c2)n1",
"CCOc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1",
"COc1ccccc1OCCNC(=O)C1CCCCC1",
"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)C2CC... | [
"25b3b294748de5eeb80380c640c616f0b0f515a7de7548f36678254b83c6099c",
"9e305e5696cb0444a32b64402ba4375cc4fecfaa93c26e75d7990fc0b3da4624",
"e5eb3698831e30d92b5832fd21775a33ffefd1a20d8726f37a22e4b44c87ada3",
"bca84e4b8f3c780965c0b47fa8da45f712982958f9e444da2af370420ec523b5",
"2ae92f74b631c7a9bbc4f6f8d5d004f65c1... | 1.254556 |
pubchem:743314 | CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12 | 72d3cb934e160036e94f08cc0fc587c240ebe257724e357285528dc0ac77ae4c | [
"C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1",
"CN1C2=NCCN2C(=O)c2cc(Cl)ccc21",
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc... | [
"e155a64d160cefd2f0ee846fc1f50c680314589e4202d72b0191e5ba9b7e2304",
"76861def203fac4cbfa8a5298cb710d2c89441fcad45bafab1910750195a13f8",
"22c8e495718aab7aedfc5c1731aef469a3eee29f670a7ac9efc650d10a2f3649",
"2f2c8c21c6fbb4178b8ce632004a7ec2367939bd9035b3b036b1a553377bd34e",
"be8a1a2d1ded3c527e48e857f6e3820fbed... | 1.254556 |
pubchem:743314 | Cc1c(C)c2ccc(O)c(CN3CCCC3)c2oc1=O | a367bba0f4b23b5952fc3fe73a2b40f5368c862c6225a02079f66ae7fe112f69 | [
"C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1",
"CN1C2=NCCN2C(=O)c2cc(Cl)ccc21",
"C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc... | [
"e155a64d160cefd2f0ee846fc1f50c680314589e4202d72b0191e5ba9b7e2304",
"76861def203fac4cbfa8a5298cb710d2c89441fcad45bafab1910750195a13f8",
"22c8e495718aab7aedfc5c1731aef469a3eee29f670a7ac9efc650d10a2f3649",
"2f2c8c21c6fbb4178b8ce632004a7ec2367939bd9035b3b036b1a553377bd34e",
"be8a1a2d1ded3c527e48e857f6e3820fbed... | 1.254536 |
pubchem:743314 | Cc1c(C)c2ccc(O)c(CN3CCCC3)c2oc1=O | a367bba0f4b23b5952fc3fe73a2b40f5368c862c6225a02079f66ae7fe112f69 | [
"CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O",
"CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O",
"CCOc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1",
"CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc... | [
"bfda24819b10bda3d863dd3a14061dc8e2d78e5a7cee05f413c270062e781785",
"e5d2730c01d6c48f5827a762168ef6c4b7f070373d1c577a6e0f92b0cb5047ca",
"c00147da6350e46680cda2ac966e0172f4f7ce23cc600cf9d0589ca6f1ba2ab0",
"fec16bcc896f35812cd5d13f854e054525f92ea93ce7d117f2a5b5d45ff3f555",
"aab474e7c3640091d560246d51c522932c4... | 1.254536 |
pubchem:743314 | O=C(NCc1ccccn1)C1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1N2CC1CC1 | 9a246e204e790d5c2a15191f576da54ab49a2fedbe9e4d62473e673705828571 | [
"CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O",
"CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O",
"CCOc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1",
"CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc... | [
"bfda24819b10bda3d863dd3a14061dc8e2d78e5a7cee05f413c270062e781785",
"e5d2730c01d6c48f5827a762168ef6c4b7f070373d1c577a6e0f92b0cb5047ca",
"c00147da6350e46680cda2ac966e0172f4f7ce23cc600cf9d0589ca6f1ba2ab0",
"fec16bcc896f35812cd5d13f854e054525f92ea93ce7d117f2a5b5d45ff3f555",
"aab474e7c3640091d560246d51c522932c4... | 1.254011 |
pubchem:743314 | O=C(NCc1ccccn1)C1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1N2CC1CC1 | 9a246e204e790d5c2a15191f576da54ab49a2fedbe9e4d62473e673705828571 | [
"O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1",
"COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)CN(C)C)C1",
"Cc1cc(C)n2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2n1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O",
"Cc1cccc(C)c1NC(=... | [
"c91769fc10954e29115cd85485d9bee65279746e02945660c99b1191b5b50600",
"5bc23d2da789bed247520ad26abcbf9c8766fe5a7623d455aedb09312f9e8285",
"865814ae419734208a9efb513c889d3376cd035984f25f75ea73ffa36bcb29e5",
"a4d3284711be40d50098dbecb47e2de69c257fd08d6ca4e259e45a29350f915f",
"716145f02fff3b7b22b01f50fe3ed575995... | 1.254011 |
pubchem:743314 | Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C | 6300ccaa02603749a5c370dcce200b693d698142686109bb3e1f4dcf0772786e | [
"O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1",
"COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)CN(C)C)C1",
"Cc1cc(C)n2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2n1",
"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O",
"Cc1cccc(C)c1NC(=... | [
"c91769fc10954e29115cd85485d9bee65279746e02945660c99b1191b5b50600",
"5bc23d2da789bed247520ad26abcbf9c8766fe5a7623d455aedb09312f9e8285",
"865814ae419734208a9efb513c889d3376cd035984f25f75ea73ffa36bcb29e5",
"a4d3284711be40d50098dbecb47e2de69c257fd08d6ca4e259e45a29350f915f",
"716145f02fff3b7b22b01f50fe3ed575995... | 1.253916 |
pubchem:743314 | Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C | 6300ccaa02603749a5c370dcce200b693d698142686109bb3e1f4dcf0772786e | [
"Cc1nc2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2s1",
"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",
"CCN1CCCC1CNS(=O)(=O)c1cccc(C(F)(F)F)c1",
"Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)... | [
"971ce3a45456dad3ea53c1d15ff21547d2097b3ca8628918881bec2da6f0abb3",
"bc5d6f5d41973f3aaf979933848117e58e973ab2db32236b73e7eba37c641c4f",
"87462b1f895c99d7bc8e09902a174d87ae56c899dd411ec3670b81f568fd7f81",
"023f8cdb16926a287ee38919930de4769cf9d041a69317117db4d098698c61f8",
"c1b1bf2647ca35f7e2dd5f03dd48e38e77f... | 1.253916 |
pubchem:743314 | CCNC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCC1 | 1521c83ad9198134edd1da5d4e39c8db9a7fdffd7619607ca187eaa1f301dd8c | [
"Cc1nc2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2s1",
"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",
"CCN1CCCC1CNS(=O)(=O)c1cccc(C(F)(F)F)c1",
"Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)... | [
"971ce3a45456dad3ea53c1d15ff21547d2097b3ca8628918881bec2da6f0abb3",
"bc5d6f5d41973f3aaf979933848117e58e973ab2db32236b73e7eba37c641c4f",
"87462b1f895c99d7bc8e09902a174d87ae56c899dd411ec3670b81f568fd7f81",
"023f8cdb16926a287ee38919930de4769cf9d041a69317117db4d098698c61f8",
"c1b1bf2647ca35f7e2dd5f03dd48e38e77f... | 1.253578 |
pubchem:743314 | CCNC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCC1 | 1521c83ad9198134edd1da5d4e39c8db9a7fdffd7619607ca187eaa1f301dd8c | [
"CC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(C#N)cc4)cc3[C@@H]21",
"O=S(=O)(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1",
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O",
"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=... | [
"fbca566ad6a1f6bada0b07d4448ff20f80e76c55ca4489507f063e215e5c5ea1",
"5a704679bbcc068979e7d123d655ce663976c9fa190e49c4f681fc39add3889c",
"39120fdaf1f6bb8fb22ac8a1da270bb1d5165f40d7424c930b4cb62c46774bff",
"214854dbbb07d48e7dacf7bdf7427b33fd882e075ee43649b3895820c379ae30",
"82bc17e95d011ac7b9b55ddc2f4e470e716... | 1.253578 |
pubchem:743340 | 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 | [
"CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1",
"CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1C... | [
"7d6d48297e84616a2d18a1776cbe6a1096b3906c407b0753ecf68befb74201d2",
"f1b923fac3d975c754e6f6e96b6819fe4616fc25ac6aa7ae370edb18b3a8ad02",
"4e102d6c9c548cd949df0951e4172cd5c2e7693b9fb7a73faa68f4fd8d2ccb08",
"f2ad4adcab837075e7b5549e326c9e9020dfd2a3cc56a3a4a6414dbbf66dd80a",
"a292ba12a206be648fddaacf4814217bcf5... | 1.328259 |
pubchem:743340 | 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 | [
"COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1",
"C[C@@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1",
"CCC(=O)N(C)C[C@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc... | [
"76861def203fac4cbfa8a5298cb710d2c89441fcad45bafab1910750195a13f8",
"5b602ec732c756e16865d307402ffc28851cf2f4327778dc98a418194945c6b5",
"6d53200c988d9d2d39cbdcb0bdde9b149a3b98e28e6bcb0683b115f623f61c4f",
"f1d637313c8e9ff1b06bf84c4ddf0ce88786289013b5f7baaf893970f1f10e2a",
"2db8f7fc7b6ff24ce6298d1b1989ce24242... | 1.328259 |
pubchem:743340 | CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C | 08d26dbc2c52b2fd2eb006959fcdf9077ea01590c7aeae60359bb43ec6f9b905 | [
"COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1",
"C[C@@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1",
"CCC(=O)N(C)C[C@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C",
"Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3ccc(F)cc3)cccc... | [
"76861def203fac4cbfa8a5298cb710d2c89441fcad45bafab1910750195a13f8",
"5b602ec732c756e16865d307402ffc28851cf2f4327778dc98a418194945c6b5",
"6d53200c988d9d2d39cbdcb0bdde9b149a3b98e28e6bcb0683b115f623f61c4f",
"f1d637313c8e9ff1b06bf84c4ddf0ce88786289013b5f7baaf893970f1f10e2a",
"2db8f7fc7b6ff24ce6298d1b1989ce24242... | 1.25 |
pubchem:743340 | CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C | 08d26dbc2c52b2fd2eb006959fcdf9077ea01590c7aeae60359bb43ec6f9b905 | [
"CCN(CC)c1ccc2c(C)c(Cl)c(=O)oc2c1",
"CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1",
"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",
"... | [
"8b617ba1b186b8eefa439f34888c297edcf2a0140e6f17bd25ae36a3838f9ce0",
"e268ac2af6a1ff47f9de405a40e2adb4b3508a489ba53dbbecdf172ed2dd9e3f",
"459ec8a1115918bb4c043fea6a90ce1bdc7f5c6175c0ca0d67353888f5ec8eb4",
"3886a83a3d38b7dca262f2808eb1750e2ca9c67768f3ec81f4bbd3524401bc55",
"8f827b0f110e1b6ac564e6b4b02b66d51d2... | 1.25 |
pubchem:743340 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2 | e1f327ae26c505b96d7ef1ede08b45563ec2a126e321b560b1f4ae76164db259 | [
"CCN(CC)c1ccc2c(C)c(Cl)c(=O)oc2c1",
"CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C",
"O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1",
"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",
"... | [
"8b617ba1b186b8eefa439f34888c297edcf2a0140e6f17bd25ae36a3838f9ce0",
"e268ac2af6a1ff47f9de405a40e2adb4b3508a489ba53dbbecdf172ed2dd9e3f",
"459ec8a1115918bb4c043fea6a90ce1bdc7f5c6175c0ca0d67353888f5ec8eb4",
"3886a83a3d38b7dca262f2808eb1750e2ca9c67768f3ec81f4bbd3524401bc55",
"8f827b0f110e1b6ac564e6b4b02b66d51d2... | 1.25 |
pubchem:743340 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2 | e1f327ae26c505b96d7ef1ede08b45563ec2a126e321b560b1f4ae76164db259 | [
"COc1ccc(-c2cc3ccc(O)cc3oc2=O)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",
"CCNC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCC1",
"CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N(C)C",
"COc1ccc(-c2cc3ccc(O)c... | [
"5338dab9769c10a2329ffcd28fd437d9a6793d6fce30a545c02c63f665db5b6b",
"589a5dee70e7ba335ab939a8d452a8d462609de65fd24b97159ee4b7d9b4653a",
"1521c83ad9198134edd1da5d4e39c8db9a7fdffd7619607ca187eaa1f301dd8c",
"e3ed1f26aff34c06e5fc575ee72f5a98b9027b00e455e7a28ffc2ea032923c3c",
"9fca291033d6b4c5ac88f52ce4ad3b7a612... | 1.25 |
pubchem:743340 | C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)CC1CC1 | 4f1db7dd3bc8fcd15fd282b8e08693f025e1b792a9f075798686381ac6c5fe0f | [
"COc1ccc(-c2cc3ccc(O)cc3oc2=O)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",
"CCNC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCC1",
"CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N(C)C",
"COc1ccc(-c2cc3ccc(O)c... | [
"5338dab9769c10a2329ffcd28fd437d9a6793d6fce30a545c02c63f665db5b6b",
"589a5dee70e7ba335ab939a8d452a8d462609de65fd24b97159ee4b7d9b4653a",
"1521c83ad9198134edd1da5d4e39c8db9a7fdffd7619607ca187eaa1f301dd8c",
"e3ed1f26aff34c06e5fc575ee72f5a98b9027b00e455e7a28ffc2ea032923c3c",
"9fca291033d6b4c5ac88f52ce4ad3b7a612... | 1.25 |
pubchem:743340 | C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)CC1CC1 | 4f1db7dd3bc8fcd15fd282b8e08693f025e1b792a9f075798686381ac6c5fe0f | [
"COC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1ccccc1F",
"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",
"CC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1",
"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)OCO... | [
"4750d30959d11bfb682ce3fce238740133ee3083d032620f9318473f185d3ba6",
"361014322bfdce165e86bb88f7c570ad75365e14dee678d74fa59d43f40c3c29",
"a0e3ee93a012961a1954590073176a4babd9f1eef510fe26755371f08ed39b53",
"1f9d81bf443cf82a83c36889ce581b404375267753e3eb92c5118139780fac5b",
"b20ed78dfc40ff7a7e57a055d9f0f65b271... | 1.25 |
pubchem:743340 | CCCN(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C | 544e035d7531b30fc4cebe5628db4257acbce10d9b9fb222e8edfbf77d817205 | [
"COC(=O)C1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1ccccc1F",
"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",
"CC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1",
"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)OCO... | [
"4750d30959d11bfb682ce3fce238740133ee3083d032620f9318473f185d3ba6",
"361014322bfdce165e86bb88f7c570ad75365e14dee678d74fa59d43f40c3c29",
"a0e3ee93a012961a1954590073176a4babd9f1eef510fe26755371f08ed39b53",
"1f9d81bf443cf82a83c36889ce581b404375267753e3eb92c5118139780fac5b",
"b20ed78dfc40ff7a7e57a055d9f0f65b271... | 1.25 |
pubchem:743340 | CCCN(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C | 544e035d7531b30fc4cebe5628db4257acbce10d9b9fb222e8edfbf77d817205 | [
"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",
"COCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1",
"C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3cc... | [
"5df881851b9161aeb7362bc19530574b2fe3b79e137ab1143fc40bab2a61b1f7",
"b98539b00b8b58ab93075d3472ce23bd30ac58c9884cb1f0614c868bd3d971dc",
"04285b7c616f84bf169518854bcf6ba83268e46f9e70df114e392216e0641f0d",
"d1017f28330c497995e4252ce37119f38e23023c75f4dbceba3336a11b2234fc",
"8a9ae14cfbee8222141f8ffe2f282bb612d... | 1.25 |
pubchem:743340 | C[C@@H]1CCCCO[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1 | e65c83c8167b4b3cc316b72a024034966b31e37c669a009e2a9fb36054859711 | [
"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",
"COCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)C2C(=O)N1CCOCC1",
"C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1",
"N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3cc... | [
"5df881851b9161aeb7362bc19530574b2fe3b79e137ab1143fc40bab2a61b1f7",
"b98539b00b8b58ab93075d3472ce23bd30ac58c9884cb1f0614c868bd3d971dc",
"04285b7c616f84bf169518854bcf6ba83268e46f9e70df114e392216e0641f0d",
"d1017f28330c497995e4252ce37119f38e23023c75f4dbceba3336a11b2234fc",
"8a9ae14cfbee8222141f8ffe2f282bb612d... | 1.25 |
pubchem:743340 | C[C@@H]1CCCCO[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1 | e65c83c8167b4b3cc316b72a024034966b31e37c669a009e2a9fb36054859711 | [
"C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1",
"CNC[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C",
"C[C@@H]1CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1",
"CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n... | [
"dd7a4b8934707fa855dace283a648364e9ed57ebdc64b4de6fbf781d02ad078f",
"b0d563daf136559c5848bc93b45c4f78b5130be3591399d4459f602071ef71cc",
"318c502ede9d6fde2deffc8633d0d7d5d0d29b40e939bc307bbbf5fd7b0e3cb6",
"eef13d0ddc1583f857d15a05ac7630261f515f789ae064f50087ef6127098fb5",
"5cbf1ca62dbafb49297f3cfe40f05c15c18... | 1.25 |
pubchem:743340 | COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 | 580880a1d5f254f656d8f9dc278fed74bea2e3139832d187323987e0849491b8 | [
"C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1",
"CNC[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C",
"C[C@@H]1CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1",
"CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n... | [
"dd7a4b8934707fa855dace283a648364e9ed57ebdc64b4de6fbf781d02ad078f",
"b0d563daf136559c5848bc93b45c4f78b5130be3591399d4459f602071ef71cc",
"318c502ede9d6fde2deffc8633d0d7d5d0d29b40e939bc307bbbf5fd7b0e3cb6",
"eef13d0ddc1583f857d15a05ac7630261f515f789ae064f50087ef6127098fb5",
"5cbf1ca62dbafb49297f3cfe40f05c15c18... | 1.25 |
pubchem:743340 | COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 | 580880a1d5f254f656d8f9dc278fed74bea2e3139832d187323987e0849491b8 | [
"O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1ccccc1",
"COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncccc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1",
"O=C(CSc1c[nH]nn1)Nc1cccc(C(=O)O)c1",
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O",
"COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C)C1",
"CCc1c(C)c... | [
"919f9e216f244dc5371d34670574bcade5b8928a02414ad416238a2d7d578041",
"ec062c6d99d4a82870778601fbe5266fd45014d294721c35754389fdb447e978",
"2d5460f7a474b35615d6c12df3e0aa34b0e887095cccdf109e0c27ca02a39962",
"348465aaa6bfe6c41acd6b8edc3e3ef6b2ad17cd806f5d9f65bb6c9d855ddb05",
"662d012a464b180cc684c44d02b2d0259cf... | 1.25 |
pubchem:743340 | CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1 | 0dbfc287f6c26042e346a42562ba38c60c07d0cebb88c73788b6205251046cfa | [
"O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1ccccc1",
"COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncccc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1",
"O=C(CSc1c[nH]nn1)Nc1cccc(C(=O)O)c1",
"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O",
"COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C)C1",
"CCc1c(C)c... | [
"919f9e216f244dc5371d34670574bcade5b8928a02414ad416238a2d7d578041",
"ec062c6d99d4a82870778601fbe5266fd45014d294721c35754389fdb447e978",
"2d5460f7a474b35615d6c12df3e0aa34b0e887095cccdf109e0c27ca02a39962",
"348465aaa6bfe6c41acd6b8edc3e3ef6b2ad17cd806f5d9f65bb6c9d855ddb05",
"662d012a464b180cc684c44d02b2d0259cf... | 1.25 |
pubchem:743340 | CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1 | 0dbfc287f6c26042e346a42562ba38c60c07d0cebb88c73788b6205251046cfa | [
"O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1",
"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",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1",
"C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([... | [
"d56f71b08a3901d6555b42ad553e0f8de9739a322598c7570b1b13283bb9264a",
"cbba8ed7a262df265bc8f74be58efd0fc4654f450b359d460a53c7c7b9fb82f7",
"467fb1ceba6957da43c3571a83aeb34725bd9a6e1814c4f4591bbfa93be4599f",
"c43c3b643ffd26aec8d74c5e29279834918593f4025bf517aac13152bfa3e17c",
"410d95272fd139cf5a4d0347f8eef2c1a3b... | 1.25 |
pubchem:743340 | C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O | da61bc15245405372dab6daba22e90cf678670cf55c2747c6125a3a72dd70af3 | [
"O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1",
"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",
"C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1",
"C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([... | [
"d56f71b08a3901d6555b42ad553e0f8de9739a322598c7570b1b13283bb9264a",
"cbba8ed7a262df265bc8f74be58efd0fc4654f450b359d460a53c7c7b9fb82f7",
"467fb1ceba6957da43c3571a83aeb34725bd9a6e1814c4f4591bbfa93be4599f",
"c43c3b643ffd26aec8d74c5e29279834918593f4025bf517aac13152bfa3e17c",
"410d95272fd139cf5a4d0347f8eef2c1a3b... | 1.25 |
pubchem:743340 | C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O | da61bc15245405372dab6daba22e90cf678670cf55c2747c6125a3a72dd70af3 | [
"CC(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)O)CC1",
"Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C",
"C[C@@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1",
"O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c... | [
"be8a1a2d1ded3c527e48e857f6e3820fbeda26fc60ecbdb67e6769f985e74762",
"84c9cea1a5cccabc4f6d9434d2548cdfafb9fbb4b4d323443c2a4c2e1812250a",
"51640103bfd9129b470a22fbe32f5bb748f27a108c1feba9f7bf42302d960827",
"5233560fe2643aa7a416ad717716aa483e232e35510876958d57b089c6c6fcc8",
"e82f7fa9d0fd9d0e6caae97638b897441de... | 1.25 |
pubchem:743359 | O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(O)c2)on1 | d23bf8004511a1daa489f58a93b87c618643fca6595616f48fb7bb7267683432 | [
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1... | [
"4930a7adb3cecc49c7f254c322b7bf87ae9ecb9493201b53cbfd70f9c0c3be94",
"a540d424b4202730cb2ec742ae9f30d2100ed7052c6c0302a229a48665fbdae7",
"36ebb95849ab28d467ec9f9f94dafcb71cdbfbe12b9ca4667d2623d62ef8a148",
"ca23d8278b4341dc676b0ca873ccb1ff85b1508a20b25c5ebddcf19988e15f4e",
"178aee6ffa324e930d94705df42fcb9d1c7... | 1.296941 |
pubchem:743359 | O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(O)c2)on1 | d23bf8004511a1daa489f58a93b87c618643fca6595616f48fb7bb7267683432 | [
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1",
"O=... | [
"dea6f5c4a7f61f77d543808b7f81ae610d8a91a698e672bf44c586df9b3d0d09",
"492a98d4492bf475194778841561d248b07a1738a3ed9e442a6a9fb05bb9c86d",
"86b1963f1815c24ad1726eb1b3d354480e768a72eff42cb16bdda79500c61867",
"cee9b6ae65af7fc1b217789409c3d84c7c2dff1a8a7a474ac3cc9e70f817b9ac",
"a128af1e9541ed783daa8ec732f6d533510... | 1.296941 |
pubchem:743359 | Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(O)c2)on1 | 8c692bfd8833e8630c25480e8e4a192bd6dfcd135e61bbe6d1759d2cc80391a3 | [
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1",
"O=... | [
"dea6f5c4a7f61f77d543808b7f81ae610d8a91a698e672bf44c586df9b3d0d09",
"492a98d4492bf475194778841561d248b07a1738a3ed9e442a6a9fb05bb9c86d",
"86b1963f1815c24ad1726eb1b3d354480e768a72eff42cb16bdda79500c61867",
"cee9b6ae65af7fc1b217789409c3d84c7c2dff1a8a7a474ac3cc9e70f817b9ac",
"a128af1e9541ed783daa8ec732f6d533510... | 1.296941 |
pubchem:743359 | Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(O)c2)on1 | 8c692bfd8833e8630c25480e8e4a192bd6dfcd135e61bbe6d1759d2cc80391a3 | [
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1",
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1",
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1"
] | [
"31aefaced33d6aae606650bea35dd11daff1b6d2dfc958c038107cbbf41b4e11",
"3e5c6756466e70de56ff3624d8a5173f09ef2ebe4e464dbabe00577da0f010ff",
"4da93e6914b4f48d74315ca912607226765588049873eca040c2820e46fb2a19",
"61b42caebd392cfa9353fbbd99dfba49429b982e009885416cac99ccc6b54216",
"ea5b94939d18abc05b243eb38e0d9ed4012... | 1.296941 |
pubchem:743359 | COc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1Cl | 76f38227979ff7f943992de67126049a365c41a73a885c0967d576b96e06dbd3 | [
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1",
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1",
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1"
] | [
"31aefaced33d6aae606650bea35dd11daff1b6d2dfc958c038107cbbf41b4e11",
"3e5c6756466e70de56ff3624d8a5173f09ef2ebe4e464dbabe00577da0f010ff",
"4da93e6914b4f48d74315ca912607226765588049873eca040c2820e46fb2a19",
"61b42caebd392cfa9353fbbd99dfba49429b982e009885416cac99ccc6b54216",
"ea5b94939d18abc05b243eb38e0d9ed4012... | 1.296941 |
pubchem:743359 | COc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1Cl | 76f38227979ff7f943992de67126049a365c41a73a885c0967d576b96e06dbd3 | [
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1",
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccccc1NC(=O)c1cc(-c2ccccc2)on1",
"CN1CCN(c2ccc(NC(=O... | [
"8718d60e5d5285afb38f01d05f74c6d28f4ef0dfe8e53706f7a2a382f7e6ae1c",
"3d763e72d1f7d175da8b02ec0237b46b37967cdf4481bcc88b58dd0e90dd131f",
"1846fbad41d36c2efc80f70a8a9d561b5e42fb32f96aee2f5303c5e49a9d1478",
"884276e5d9e82f9cb0be7e467298783dee6bfc023867f0cabcad613d7b59ad81",
"a7563dd838da481b9eea732286f90d29c45... | 1.296941 |
pubchem:743359 | COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1O | 0d6ae2cc4b78c722cd80d56aa1c3248283b274d43edad1eb71c222ad8f4a7389 | [
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1",
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccccc1NC(=O)c1cc(-c2ccccc2)on1",
"CN1CCN(c2ccc(NC(=O... | [
"8718d60e5d5285afb38f01d05f74c6d28f4ef0dfe8e53706f7a2a382f7e6ae1c",
"3d763e72d1f7d175da8b02ec0237b46b37967cdf4481bcc88b58dd0e90dd131f",
"1846fbad41d36c2efc80f70a8a9d561b5e42fb32f96aee2f5303c5e49a9d1478",
"884276e5d9e82f9cb0be7e467298783dee6bfc023867f0cabcad613d7b59ad81",
"a7563dd838da481b9eea732286f90d29c45... | 1.296941 |
pubchem:743359 | COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1O | 0d6ae2cc4b78c722cd80d56aa1c3248283b274d43edad1eb71c222ad8f4a7389 | [
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1",
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1O",
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2cc... | [
"22ec5bf5ed09a264d4bf039d14ef5ec45d257b04b14acdd61b2648877648a947",
"df36aee26375517efad2b7b21625b5c1acd9e081e9a5813d6b6118c2fa154581",
"d1c39fbd9d00bc03267d303ec6ec41a58ef103694d8bc2bc9ad871e6ed8c2693",
"fe517b5ea10c7a38d4a264dc8c88313990ccf9dbc18b1189b1ba3acda4c10864",
"a41a8418c392dcf55fda7416464128bd559... | 1.296941 |
pubchem:743359 | O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(O)c2)on1 | 38bbd6510a6fb1ae1df706f287483f58084be49c26cb177feab1432410a7a489 | [
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1",
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1O",
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2cc... | [
"22ec5bf5ed09a264d4bf039d14ef5ec45d257b04b14acdd61b2648877648a947",
"df36aee26375517efad2b7b21625b5c1acd9e081e9a5813d6b6118c2fa154581",
"d1c39fbd9d00bc03267d303ec6ec41a58ef103694d8bc2bc9ad871e6ed8c2693",
"fe517b5ea10c7a38d4a264dc8c88313990ccf9dbc18b1189b1ba3acda4c10864",
"a41a8418c392dcf55fda7416464128bd559... | 1.296941 |
pubchem:743359 | O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(O)c2)on1 | 38bbd6510a6fb1ae1df706f287483f58084be49c26cb177feab1432410a7a489 | [
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)... | [
"7d991cf66d3ed2669d9d49561d23c9a992ad06b677d4965547fdcdc3b0fadc72",
"bd88ddd2f77ea048b3ef649ce4f1349358999c96bc8a9f140a16a9f66b6c38b0",
"e6f781db4b07db496d3ed80581b3a2d89a42c3517f27935f3df036285ded354d",
"f1ab32e580c57f7f64559153aed3220def1878f9fcc4ea08620f282644616914",
"07477ff0b69f279a69c1a05f1afcc10753f... | 1.296941 |
pubchem:743359 | Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1 | 8caa47ca95800e00b590e07bfa441f392a3a9f2f8f9a36c19783b95f5ea08a8f | [
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)... | [
"7d991cf66d3ed2669d9d49561d23c9a992ad06b677d4965547fdcdc3b0fadc72",
"bd88ddd2f77ea048b3ef649ce4f1349358999c96bc8a9f140a16a9f66b6c38b0",
"e6f781db4b07db496d3ed80581b3a2d89a42c3517f27935f3df036285ded354d",
"f1ab32e580c57f7f64559153aed3220def1878f9fcc4ea08620f282644616914",
"07477ff0b69f279a69c1a05f1afcc10753f... | 1.296941 |
pubchem:743359 | Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1 | 8caa47ca95800e00b590e07bfa441f392a3a9f2f8f9a36c19783b95f5ea08a8f | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1c... | [
"c09faac57ae2ed9307a07dacb9883c708693d4fcbfaeb4973025ec7498c44c64",
"84fd0e6112fc16af92f5bb9f34ac6ce9ea993dbe0a0db35721eb94760018ca64",
"1098f10ca3d28ac313524af9de4bbfa9657e75d68da19dac286b14c8f47646bd",
"94d33f9842d296b850f72e9bb5189b429839ff9c476ea6f69137c377384f1e5d",
"a04bee69445beeed3a3bad2297e308225a2... | 1.296941 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(OCc2ccccc2)c1 | 0d657ce84a0a1062d57ce9fdeac2d003b32cb2cde417f4403b24199cbf51a300 | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1c... | [
"c09faac57ae2ed9307a07dacb9883c708693d4fcbfaeb4973025ec7498c44c64",
"84fd0e6112fc16af92f5bb9f34ac6ce9ea993dbe0a0db35721eb94760018ca64",
"1098f10ca3d28ac313524af9de4bbfa9657e75d68da19dac286b14c8f47646bd",
"94d33f9842d296b850f72e9bb5189b429839ff9c476ea6f69137c377384f1e5d",
"a04bee69445beeed3a3bad2297e308225a2... | 1.296941 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(OCc2ccccc2)c1 | 0d657ce84a0a1062d57ce9fdeac2d003b32cb2cde417f4403b24199cbf51a300 | [
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1",
"Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1c... | [
"356c922eae1981217ffd9a37f01df0aaf5ec57244d7545d998daa1d3926b2e52",
"c5fa790117ab7bbcc6cdcef68ac0706dd7cad403d2b2c591251dba46c4811bfb",
"ea7c52da2a98f31d9bd11925d8d9d8bddc7b43b0ecdca5b78ebccd5f7e9a34bd",
"d0df38aa2b2a73a0cb41ebc676ed2cbe34bc9b0d3975a472cc69b2a05514b6bc",
"c259b07ab4deb467b6ce8398af167352e85... | 1.296941 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(OCc2ccccc2)c1 | 7b8e6efbf45cee5d39e392d472499c4956b59713be7e3921a2f196fa5b78a8cf | [
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1",
"Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1c... | [
"356c922eae1981217ffd9a37f01df0aaf5ec57244d7545d998daa1d3926b2e52",
"c5fa790117ab7bbcc6cdcef68ac0706dd7cad403d2b2c591251dba46c4811bfb",
"ea7c52da2a98f31d9bd11925d8d9d8bddc7b43b0ecdca5b78ebccd5f7e9a34bd",
"d0df38aa2b2a73a0cb41ebc676ed2cbe34bc9b0d3975a472cc69b2a05514b6bc",
"c259b07ab4deb467b6ce8398af167352e85... | 1.296941 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(OCc2ccccc2)c1 | 7b8e6efbf45cee5d39e392d472499c4956b59713be7e3921a2f196fa5b78a8cf | [
"COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1",
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl",
"CN1CCN(Cc2ccc(NS(=O)(=... | [
"930f6298ee575fe2dafbaa3ae16026167bf9ccc0b4f988faa5fd61873d38a126",
"d1fdb10720f136d9378bcb06b2969d13de88a33bd34edb01986d0853eda76965",
"472b4cec76caf198c4cd342b8e9045106d65400f4096acc5a76d1b43813e25e9",
"480d712a8eb203a61a7ec9266daaa5e6ae112e09d3ce92f7805309326509e819",
"4930a7adb3cecc49c7f254c322b7bf87ae9... | 1.296941 |
pubchem:743359 | O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2cccc(O)c2)on1 | 4897db0e283deb3e3aa793a5ee82522d32cb54f3269ae9288578317416af186c | [
"COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1",
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl",
"CN1CCN(Cc2ccc(NS(=O)(=... | [
"930f6298ee575fe2dafbaa3ae16026167bf9ccc0b4f988faa5fd61873d38a126",
"d1fdb10720f136d9378bcb06b2969d13de88a33bd34edb01986d0853eda76965",
"472b4cec76caf198c4cd342b8e9045106d65400f4096acc5a76d1b43813e25e9",
"480d712a8eb203a61a7ec9266daaa5e6ae112e09d3ce92f7805309326509e819",
"4930a7adb3cecc49c7f254c322b7bf87ae9... | 1.296941 |
pubchem:743359 | O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2cccc(O)c2)on1 | 4897db0e283deb3e3aa793a5ee82522d32cb54f3269ae9288578317416af186c | [
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1",
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(... | [
"ca23d8278b4341dc676b0ca873ccb1ff85b1508a20b25c5ebddcf19988e15f4e",
"178aee6ffa324e930d94705df42fcb9d1c78c489214375822214efdf84284690",
"f19a4677f00ffbf66cd8f93778f98accf3cf6035f05fa3c5fcf56921591c8752",
"df3ad90748bdc9cc08df1e42698733bec0a9f68e6b3fce4b2ca68f5fda20b149",
"dea6f5c4a7f61f77d543808b7f81ae610d8... | 1.296941 |
pubchem:743359 | O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(O)c2)on1 | df750b5c226ffe66d4759ccd5cb15d9292f5446e18149215def723dcd749ba40 | [
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1",
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(... | [
"ca23d8278b4341dc676b0ca873ccb1ff85b1508a20b25c5ebddcf19988e15f4e",
"178aee6ffa324e930d94705df42fcb9d1c78c489214375822214efdf84284690",
"f19a4677f00ffbf66cd8f93778f98accf3cf6035f05fa3c5fcf56921591c8752",
"df3ad90748bdc9cc08df1e42698733bec0a9f68e6b3fce4b2ca68f5fda20b149",
"dea6f5c4a7f61f77d543808b7f81ae610d8... | 1.295789 |
pubchem:743359 | O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(O)c2)on1 | df750b5c226ffe66d4759ccd5cb15d9292f5446e18149215def723dcd749ba40 | [
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1",
"O=C(Nc1ccccc1OCc1ccccc1)c1cc(-c2cccc(O)c2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1",
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1"
... | [
"cee9b6ae65af7fc1b217789409c3d84c7c2dff1a8a7a474ac3cc9e70f817b9ac",
"a128af1e9541ed783daa8ec732f6d5335105dd15ce548a3857b6be1cf34413a4",
"984468bfa3a3168d4f39fa71c45b1e216de6900442a2b45e35f908f8bbc6b998",
"53fc5467947470c7c74fbc65fa7e0a04ab971fb986ffb2dd4ce6daee4572f805",
"31aefaced33d6aae606650bea35dd11daff... | 1.295789 |
pubchem:743359 | CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccc(F)c2)CC1 | 4a6e1a14496f94076a44a8eb4ccbbee43cc7b61788d56ec27b27b0d13724e920 | [
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1",
"O=C(Nc1ccccc1OCc1ccccc1)c1cc(-c2cccc(O)c2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1",
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1"
... | [
"cee9b6ae65af7fc1b217789409c3d84c7c2dff1a8a7a474ac3cc9e70f817b9ac",
"a128af1e9541ed783daa8ec732f6d5335105dd15ce548a3857b6be1cf34413a4",
"984468bfa3a3168d4f39fa71c45b1e216de6900442a2b45e35f908f8bbc6b998",
"53fc5467947470c7c74fbc65fa7e0a04ab971fb986ffb2dd4ce6daee4572f805",
"31aefaced33d6aae606650bea35dd11daff... | 1.288705 |
pubchem:743359 | CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccc(F)c2)CC1 | 4a6e1a14496f94076a44a8eb4ccbbee43cc7b61788d56ec27b27b0d13724e920 | [
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1",
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"COc1ccc... | [
"61b42caebd392cfa9353fbbd99dfba49429b982e009885416cac99ccc6b54216",
"ea5b94939d18abc05b243eb38e0d9ed401215b97eb76d17e0acec5caa86551dc",
"1d3132e2286f474ff5ef5fe01029ac6ffce9c188ab971aa4dde5a4855e8c9dd7",
"74d2ec94df3e9ff31f691ec5cefba389c8103c631ef5e61f2a7b32e0e020a9ca",
"8718d60e5d5285afb38f01d05f74c6d28f4... | 1.288705 |
pubchem:743359 | Cc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1Cl | fa48d94e170e308de02aa2d5c25e4468e66e48a361cde062da0ef8a20146a996 | [
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1",
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"COc1ccc... | [
"61b42caebd392cfa9353fbbd99dfba49429b982e009885416cac99ccc6b54216",
"ea5b94939d18abc05b243eb38e0d9ed401215b97eb76d17e0acec5caa86551dc",
"1d3132e2286f474ff5ef5fe01029ac6ffce9c188ab971aa4dde5a4855e8c9dd7",
"74d2ec94df3e9ff31f691ec5cefba389c8103c631ef5e61f2a7b32e0e020a9ca",
"8718d60e5d5285afb38f01d05f74c6d28f4... | 1.286031 |
pubchem:743359 | Cc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1Cl | fa48d94e170e308de02aa2d5c25e4468e66e48a361cde062da0ef8a20146a996 | [
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccccc1NC(=O)c1cc(-c2ccccc2)on1",
"CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1",
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1",
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1"
] | [
"884276e5d9e82f9cb0be7e467298783dee6bfc023867f0cabcad613d7b59ad81",
"a7563dd838da481b9eea732286f90d29c45b7670f95962f1ab34301fb87131de",
"479322b95aad7a0aadcd15246841d239008e773e62d73d4abdce759b9ccb913d",
"602c535020ceb2f6726b6b7fb3385e7b5d07a31bd972c23fa9b3b1ba0fb456b1",
"22ec5bf5ed09a264d4bf039d14ef5ec45d2... | 1.286031 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 | f4993c2cc7f1bdd4318bc42dc284058767ef8685d078a97fd27ac312525615e0 | [
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccccc1NC(=O)c1cc(-c2ccccc2)on1",
"CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1",
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1",
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1"
] | [
"884276e5d9e82f9cb0be7e467298783dee6bfc023867f0cabcad613d7b59ad81",
"a7563dd838da481b9eea732286f90d29c45b7670f95962f1ab34301fb87131de",
"479322b95aad7a0aadcd15246841d239008e773e62d73d4abdce759b9ccb913d",
"602c535020ceb2f6726b6b7fb3385e7b5d07a31bd972c23fa9b3b1ba0fb456b1",
"22ec5bf5ed09a264d4bf039d14ef5ec45d2... | 1.284076 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 | f4993c2cc7f1bdd4318bc42dc284058767ef8685d078a97fd27ac312525615e0 | [
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1O",
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1",
"CN1CCN(CCc2ccc(NS(=... | [
"fe517b5ea10c7a38d4a264dc8c88313990ccf9dbc18b1189b1ba3acda4c10864",
"a41a8418c392dcf55fda7416464128bd5593831f0ecef9392347bffbcffa4c0a",
"bf97a9ac5ac4ea3bd3c6cc03a5a382092affc38c82ba9a8f6b6da95bf519a117",
"0a4a2702caba544cc0a66f733cac788efb191547410cb435105ca82b6de27dbc",
"7d991cf66d3ed2669d9d49561d23c9a992a... | 1.284076 |
pubchem:743359 | O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc(O)c2)on1 | cacca4f6a95c25712c81dccbb621b0961d47d8bd958fcd51f28ee003d93d103c | [
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1O",
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1",
"CN1CCN(CCc2ccc(NS(=... | [
"fe517b5ea10c7a38d4a264dc8c88313990ccf9dbc18b1189b1ba3acda4c10864",
"a41a8418c392dcf55fda7416464128bd5593831f0ecef9392347bffbcffa4c0a",
"bf97a9ac5ac4ea3bd3c6cc03a5a382092affc38c82ba9a8f6b6da95bf519a117",
"0a4a2702caba544cc0a66f733cac788efb191547410cb435105ca82b6de27dbc",
"7d991cf66d3ed2669d9d49561d23c9a992a... | 1.276529 |
pubchem:743359 | O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc(O)c2)on1 | cacca4f6a95c25712c81dccbb621b0961d47d8bd958fcd51f28ee003d93d103c | [
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1"
] | [
"f1ab32e580c57f7f64559153aed3220def1878f9fcc4ea08620f282644616914",
"07477ff0b69f279a69c1a05f1afcc10753f787dfb5ecf9b0a5dc5665ae958713",
"435729de28a3fcac9ff2e8883f338cbd698b8506c0b1ba0f7e101b9f77dc4c67",
"2e87d273e98298b517c7f31e0294ad4ea16a9c6b4002cf63721d9502c3a5dca9",
"c09faac57ae2ed9307a07dacb9883c70869... | 1.276529 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1 | d7a4d4df56fcb308d4cc48e63cd8c94d837c2621ab3191bd037c07dc154ff1a3 | [
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1"
] | [
"f1ab32e580c57f7f64559153aed3220def1878f9fcc4ea08620f282644616914",
"07477ff0b69f279a69c1a05f1afcc10753f787dfb5ecf9b0a5dc5665ae958713",
"435729de28a3fcac9ff2e8883f338cbd698b8506c0b1ba0f7e101b9f77dc4c67",
"2e87d273e98298b517c7f31e0294ad4ea16a9c6b4002cf63721d9502c3a5dca9",
"c09faac57ae2ed9307a07dacb9883c70869... | 1.275482 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1 | d7a4d4df56fcb308d4cc48e63cd8c94d837c2621ab3191bd037c07dc154ff1a3 | [
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1",
"Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)o... | [
"94d33f9842d296b850f72e9bb5189b429839ff9c476ea6f69137c377384f1e5d",
"a04bee69445beeed3a3bad2297e308225a20de8438c866db032ec18ae314593f",
"786f2e090d4de120d16abc35bcd4dd431df568727d88a24ab9ddda867f727f8f",
"9e2fab4a29cf2564463c2be4b01d489be23a7be1232b80d6ab9f1ab7a68804a1",
"356c922eae1981217ffd9a37f01df0aaf5e... | 1.275482 |
pubchem:743359 | CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 | 6c18c132b8ea29e4bc3d300bc233c8bb46ecefee838cf2430af468264b1127d7 | [
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1",
"Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)o... | [
"94d33f9842d296b850f72e9bb5189b429839ff9c476ea6f69137c377384f1e5d",
"a04bee69445beeed3a3bad2297e308225a20de8438c866db032ec18ae314593f",
"786f2e090d4de120d16abc35bcd4dd431df568727d88a24ab9ddda867f727f8f",
"9e2fab4a29cf2564463c2be4b01d489be23a7be1232b80d6ab9f1ab7a68804a1",
"356c922eae1981217ffd9a37f01df0aaf5e... | 1.27389 |
pubchem:743359 | CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 | 6c18c132b8ea29e4bc3d300bc233c8bb46ecefee838cf2430af468264b1127d7 | [
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"O=C(... | [
"d0df38aa2b2a73a0cb41ebc676ed2cbe34bc9b0d3975a472cc69b2a05514b6bc",
"c259b07ab4deb467b6ce8398af167352e85dcc32c4c5df7a9829b6a1d1b8b7b7",
"3eb3d516c145f5471b600f7a84626dfcad03c41686b86a6a4ee436ac23e53bd6",
"80ca10a55624474e17b432d9e0b38b05ee63bbd38be7bcdd38cca26539f9f7c2",
"930f6298ee575fe2dafbaa3ae16026167bf... | 1.27389 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCNCC2)cc1 | c5829de2280ffd3f6132609d8f9047f8c503fc313d7d7a3eea15f23a4bfe1a65 | [
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"O=C(... | [
"d0df38aa2b2a73a0cb41ebc676ed2cbe34bc9b0d3975a472cc69b2a05514b6bc",
"c259b07ab4deb467b6ce8398af167352e85dcc32c4c5df7a9829b6a1d1b8b7b7",
"3eb3d516c145f5471b600f7a84626dfcad03c41686b86a6a4ee436ac23e53bd6",
"80ca10a55624474e17b432d9e0b38b05ee63bbd38be7bcdd38cca26539f9f7c2",
"930f6298ee575fe2dafbaa3ae16026167bf... | 1.271678 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCNCC2)cc1 | c5829de2280ffd3f6132609d8f9047f8c503fc313d7d7a3eea15f23a4bfe1a65 | [
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1",
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1"
] | [
"480d712a8eb203a61a7ec9266daaa5e6ae112e09d3ce92f7805309326509e819",
"4930a7adb3cecc49c7f254c322b7bf87ae9ecb9493201b53cbfd70f9c0c3be94",
"a540d424b4202730cb2ec742ae9f30d2100ed7052c6c0302a229a48665fbdae7",
"36ebb95849ab28d467ec9f9f94dafcb71cdbfbe12b9ca4667d2623d62ef8a148",
"ca23d8278b4341dc676b0ca873ccb1ff85b... | 1.271678 |
pubchem:743359 | CN1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 | 87b00d6fd6ec1a385173803a6163d5c2707af060636336c8338d3458e232c26d | [
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1",
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1"
] | [
"480d712a8eb203a61a7ec9266daaa5e6ae112e09d3ce92f7805309326509e819",
"4930a7adb3cecc49c7f254c322b7bf87ae9ecb9493201b53cbfd70f9c0c3be94",
"a540d424b4202730cb2ec742ae9f30d2100ed7052c6c0302a229a48665fbdae7",
"36ebb95849ab28d467ec9f9f94dafcb71cdbfbe12b9ca4667d2623d62ef8a148",
"ca23d8278b4341dc676b0ca873ccb1ff85b... | 1.271276 |
pubchem:743359 | CN1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 | 87b00d6fd6ec1a385173803a6163d5c2707af060636336c8338d3458e232c26d | [
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1",
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1... | [
"df3ad90748bdc9cc08df1e42698733bec0a9f68e6b3fce4b2ca68f5fda20b149",
"dea6f5c4a7f61f77d543808b7f81ae610d8a91a698e672bf44c586df9b3d0d09",
"492a98d4492bf475194778841561d248b07a1738a3ed9e442a6a9fb05bb9c86d",
"86b1963f1815c24ad1726eb1b3d354480e768a72eff42cb16bdda79500c61867",
"cee9b6ae65af7fc1b217789409c3d84c7c2... | 1.271276 |
pubchem:743359 | O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 | 42320548b80317a904d2e049044938126d3af0f8c65a90e6977551182f5cfc45 | [
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1",
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1... | [
"df3ad90748bdc9cc08df1e42698733bec0a9f68e6b3fce4b2ca68f5fda20b149",
"dea6f5c4a7f61f77d543808b7f81ae610d8a91a698e672bf44c586df9b3d0d09",
"492a98d4492bf475194778841561d248b07a1738a3ed9e442a6a9fb05bb9c86d",
"86b1963f1815c24ad1726eb1b3d354480e768a72eff42cb16bdda79500c61867",
"cee9b6ae65af7fc1b217789409c3d84c7c2... | 1.271276 |
pubchem:743359 | O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 | 42320548b80317a904d2e049044938126d3af0f8c65a90e6977551182f5cfc45 | [
"O=C(Nc1ccccc1OCc1ccccc1)c1cc(-c2cccc(O)c2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1",
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1",
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1"
] | [
"53fc5467947470c7c74fbc65fa7e0a04ab971fb986ffb2dd4ce6daee4572f805",
"31aefaced33d6aae606650bea35dd11daff1b6d2dfc958c038107cbbf41b4e11",
"3e5c6756466e70de56ff3624d8a5173f09ef2ebe4e464dbabe00577da0f010ff",
"4da93e6914b4f48d74315ca912607226765588049873eca040c2820e46fb2a19",
"61b42caebd392cfa9353fbbd99dfba49429... | 1.271276 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(OCc2ccccc2)ccc1Cl | 15d4cd634af441a2352b57741141a1eab2ac2763d41614e8a097c1b89505f188 | [
"O=C(Nc1ccccc1OCc1ccccc1)c1cc(-c2cccc(O)c2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c2ccc(Br)cc2)CC1",
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1",
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1"
] | [
"53fc5467947470c7c74fbc65fa7e0a04ab971fb986ffb2dd4ce6daee4572f805",
"31aefaced33d6aae606650bea35dd11daff1b6d2dfc958c038107cbbf41b4e11",
"3e5c6756466e70de56ff3624d8a5173f09ef2ebe4e464dbabe00577da0f010ff",
"4da93e6914b4f48d74315ca912607226765588049873eca040c2820e46fb2a19",
"61b42caebd392cfa9353fbbd99dfba49429... | 1.27042 |
pubchem:743359 | O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(OCc2ccccc2)ccc1Cl | 15d4cd634af441a2352b57741141a1eab2ac2763d41614e8a097c1b89505f188 | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1",
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1",
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccc... | [
"74d2ec94df3e9ff31f691ec5cefba389c8103c631ef5e61f2a7b32e0e020a9ca",
"8718d60e5d5285afb38f01d05f74c6d28f4ef0dfe8e53706f7a2a382f7e6ae1c",
"3d763e72d1f7d175da8b02ec0237b46b37967cdf4481bcc88b58dd0e90dd131f",
"1846fbad41d36c2efc80f70a8a9d561b5e42fb32f96aee2f5303c5e49a9d1478",
"884276e5d9e82f9cb0be7e467298783dee6... | 1.27042 |
pubchem:743359 | CN1CCN(Cc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 | 410513d941a6053b20cebbe23451c0c0512b0f0b95c83be9bb231d3905746c0c | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1",
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1",
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccc... | [
"74d2ec94df3e9ff31f691ec5cefba389c8103c631ef5e61f2a7b32e0e020a9ca",
"8718d60e5d5285afb38f01d05f74c6d28f4ef0dfe8e53706f7a2a382f7e6ae1c",
"3d763e72d1f7d175da8b02ec0237b46b37967cdf4481bcc88b58dd0e90dd131f",
"1846fbad41d36c2efc80f70a8a9d561b5e42fb32f96aee2f5303c5e49a9d1478",
"884276e5d9e82f9cb0be7e467298783dee6... | 1.266006 |
pubchem:743359 | CN1CCN(Cc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 | 410513d941a6053b20cebbe23451c0c0512b0f0b95c83be9bb231d3905746c0c | [
"CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1",
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1",
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1c... | [
"602c535020ceb2f6726b6b7fb3385e7b5d07a31bd972c23fa9b3b1ba0fb456b1",
"22ec5bf5ed09a264d4bf039d14ef5ec45d257b04b14acdd61b2648877648a947",
"df36aee26375517efad2b7b21625b5c1acd9e081e9a5813d6b6118c2fa154581",
"d1c39fbd9d00bc03267d303ec6ec41a58ef103694d8bc2bc9ad871e6ed8c2693",
"fe517b5ea10c7a38d4a264dc8c88313990c... | 1.266006 |
pubchem:743359 | CN1CCN(CCc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 | 608a8951822187b2a6d52adc535492a4d18b3f239c7ae134db8afb9643a4ada2 | [
"CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1",
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1",
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1c... | [
"602c535020ceb2f6726b6b7fb3385e7b5d07a31bd972c23fa9b3b1ba0fb456b1",
"22ec5bf5ed09a264d4bf039d14ef5ec45d257b04b14acdd61b2648877648a947",
"df36aee26375517efad2b7b21625b5c1acd9e081e9a5813d6b6118c2fa154581",
"d1c39fbd9d00bc03267d303ec6ec41a58ef103694d8bc2bc9ad871e6ed8c2693",
"fe517b5ea10c7a38d4a264dc8c88313990c... | 1.263859 |
pubchem:743359 | CN1CCN(CCc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 | 608a8951822187b2a6d52adc535492a4d18b3f239c7ae134db8afb9643a4ada2 | [
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc... | [
"0a4a2702caba544cc0a66f733cac788efb191547410cb435105ca82b6de27dbc",
"7d991cf66d3ed2669d9d49561d23c9a992ad06b677d4965547fdcdc3b0fadc72",
"bd88ddd2f77ea048b3ef649ce4f1349358999c96bc8a9f140a16a9f66b6c38b0",
"e6f781db4b07db496d3ed80581b3a2d89a42c3517f27935f3df036285ded354d",
"f1ab32e580c57f7f64559153aed3220def1... | 1.263859 |
pubchem:743359 | O=C(Nc1cccc(F)c1)c1cc(-c2cccc(O)c2)on1 | 95a4102e5f8ef9299cd38cf8c061bb0263737e18a25e258fe02ac8a76f671e7d | [
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc... | [
"0a4a2702caba544cc0a66f733cac788efb191547410cb435105ca82b6de27dbc",
"7d991cf66d3ed2669d9d49561d23c9a992ad06b677d4965547fdcdc3b0fadc72",
"bd88ddd2f77ea048b3ef649ce4f1349358999c96bc8a9f140a16a9f66b6c38b0",
"e6f781db4b07db496d3ed80581b3a2d89a42c3517f27935f3df036285ded354d",
"f1ab32e580c57f7f64559153aed3220def1... | 1.26121 |
pubchem:743359 | O=C(Nc1cccc(F)c1)c1cc(-c2cccc(O)c2)on1 | 95a4102e5f8ef9299cd38cf8c061bb0263737e18a25e258fe02ac8a76f671e7d | [
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3... | [
"2e87d273e98298b517c7f31e0294ad4ea16a9c6b4002cf63721d9502c3a5dca9",
"c09faac57ae2ed9307a07dacb9883c708693d4fcbfaeb4973025ec7498c44c64",
"84fd0e6112fc16af92f5bb9f34ac6ce9ea993dbe0a0db35721eb94760018ca64",
"1098f10ca3d28ac313524af9de4bbfa9657e75d68da19dac286b14c8f47646bd",
"94d33f9842d296b850f72e9bb5189b42983... | 1.26121 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCNCC2)c1 | 747b092fab3b81acacf2c1570de8d4448a92167360efade6115fcc22539e0427 | [
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3... | [
"2e87d273e98298b517c7f31e0294ad4ea16a9c6b4002cf63721d9502c3a5dca9",
"c09faac57ae2ed9307a07dacb9883c708693d4fcbfaeb4973025ec7498c44c64",
"84fd0e6112fc16af92f5bb9f34ac6ce9ea993dbe0a0db35721eb94760018ca64",
"1098f10ca3d28ac313524af9de4bbfa9657e75d68da19dac286b14c8f47646bd",
"94d33f9842d296b850f72e9bb5189b42983... | 1.260807 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCNCC2)c1 | 747b092fab3b81acacf2c1570de8d4448a92167360efade6115fcc22539e0427 | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1",
"Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(F)c(Cl... | [
"9e2fab4a29cf2564463c2be4b01d489be23a7be1232b80d6ab9f1ab7a68804a1",
"356c922eae1981217ffd9a37f01df0aaf5ec57244d7545d998daa1d3926b2e52",
"c5fa790117ab7bbcc6cdcef68ac0706dd7cad403d2b2c591251dba46c4811bfb",
"ea7c52da2a98f31d9bd11925d8d9d8bddc7b43b0ecdca5b78ebccd5f7e9a34bd",
"d0df38aa2b2a73a0cb41ebc676ed2cbe34b... | 1.260807 |
pubchem:743359 | CCCc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1 | 202d5283ad146948fe728e2668c21dff590b4a95041c1274deee9fe9a6ce76cc | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1",
"Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1",
"CN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(F)c(Cl... | [
"9e2fab4a29cf2564463c2be4b01d489be23a7be1232b80d6ab9f1ab7a68804a1",
"356c922eae1981217ffd9a37f01df0aaf5ec57244d7545d998daa1d3926b2e52",
"c5fa790117ab7bbcc6cdcef68ac0706dd7cad403d2b2c591251dba46c4811bfb",
"ea7c52da2a98f31d9bd11925d8d9d8bddc7b43b0ecdca5b78ebccd5f7e9a34bd",
"d0df38aa2b2a73a0cb41ebc676ed2cbe34b... | 1.260151 |
pubchem:743359 | CCCc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1 | 202d5283ad146948fe728e2668c21dff590b4a95041c1274deee9fe9a6ce76cc | [
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1",
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(... | [
"80ca10a55624474e17b432d9e0b38b05ee63bbd38be7bcdd38cca26539f9f7c2",
"930f6298ee575fe2dafbaa3ae16026167bf9ccc0b4f988faa5fd61873d38a126",
"d1fdb10720f136d9378bcb06b2969d13de88a33bd34edb01986d0853eda76965",
"472b4cec76caf198c4cd342b8e9045106d65400f4096acc5a76d1b43813e25e9",
"480d712a8eb203a61a7ec9266daaa5e6ae1... | 1.260151 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCNCC2)cc1 | a135a06952742599ae7fa6e7f6d10de1a8f2ea77190d6bab634bfde5cac5ae94 | [
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1",
"COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)c1",
"COc1ccc(NC(=O)c2cc(... | [
"80ca10a55624474e17b432d9e0b38b05ee63bbd38be7bcdd38cca26539f9f7c2",
"930f6298ee575fe2dafbaa3ae16026167bf9ccc0b4f988faa5fd61873d38a126",
"d1fdb10720f136d9378bcb06b2969d13de88a33bd34edb01986d0853eda76965",
"472b4cec76caf198c4cd342b8e9045106d65400f4096acc5a76d1b43813e25e9",
"480d712a8eb203a61a7ec9266daaa5e6ae1... | 1.259246 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCNCC2)cc1 | a135a06952742599ae7fa6e7f6d10de1a8f2ea77190d6bab634bfde5cac5ae94 | [
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1",
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1... | [
"36ebb95849ab28d467ec9f9f94dafcb71cdbfbe12b9ca4667d2623d62ef8a148",
"ca23d8278b4341dc676b0ca873ccb1ff85b1508a20b25c5ebddcf19988e15f4e",
"178aee6ffa324e930d94705df42fcb9d1c78c489214375822214efdf84284690",
"f19a4677f00ffbf66cd8f93778f98accf3cf6035f05fa3c5fcf56921591c8752",
"df3ad90748bdc9cc08df1e42698733bec0a... | 1.259246 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCCCC2)cc1 | 53a64a3fe007d8add362a28029b850f77b43ff873c20c50597fe2f755e4f85be | [
"CN1CCN(Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1",
"COc1ccc(C(=O)CCN2CCCC(C)C2)cc1",
"CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1",
"O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1... | [
"36ebb95849ab28d467ec9f9f94dafcb71cdbfbe12b9ca4667d2623d62ef8a148",
"ca23d8278b4341dc676b0ca873ccb1ff85b1508a20b25c5ebddcf19988e15f4e",
"178aee6ffa324e930d94705df42fcb9d1c78c489214375822214efdf84284690",
"f19a4677f00ffbf66cd8f93778f98accf3cf6035f05fa3c5fcf56921591c8752",
"df3ad90748bdc9cc08df1e42698733bec0a... | 1.257395 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCCCC2)cc1 | 53a64a3fe007d8add362a28029b850f77b43ff873c20c50597fe2f755e4f85be | [
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1",
"O=C(Nc1ccccc1OCc1ccccc1)c1cc(-c2cccc(O)c2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c... | [
"86b1963f1815c24ad1726eb1b3d354480e768a72eff42cb16bdda79500c61867",
"cee9b6ae65af7fc1b217789409c3d84c7c2dff1a8a7a474ac3cc9e70f817b9ac",
"a128af1e9541ed783daa8ec732f6d5335105dd15ce548a3857b6be1cf34413a4",
"984468bfa3a3168d4f39fa71c45b1e216de6900442a2b45e35f908f8bbc6b998",
"53fc5467947470c7c74fbc65fa7e0a04ab9... | 1.257395 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 | c8abea40de6ac5f818ceb6f91b5e1f887ba71ad8e8924e7bb702ced4dc89bcd1 | [
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1",
"O=C(Nc1ccccc1OCc1ccccc1)c1cc(-c2cccc(O)c2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1",
"CC1CCN(CCCC(=O)c... | [
"86b1963f1815c24ad1726eb1b3d354480e768a72eff42cb16bdda79500c61867",
"cee9b6ae65af7fc1b217789409c3d84c7c2dff1a8a7a474ac3cc9e70f817b9ac",
"a128af1e9541ed783daa8ec732f6d5335105dd15ce548a3857b6be1cf34413a4",
"984468bfa3a3168d4f39fa71c45b1e216de6900442a2b45e35f908f8bbc6b998",
"53fc5467947470c7c74fbc65fa7e0a04ab9... | 1.257085 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 | c8abea40de6ac5f818ceb6f91b5e1f887ba71ad8e8924e7bb702ced4dc89bcd1 | [
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1",
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1",
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(... | [
"4da93e6914b4f48d74315ca912607226765588049873eca040c2820e46fb2a19",
"61b42caebd392cfa9353fbbd99dfba49429b982e009885416cac99ccc6b54216",
"ea5b94939d18abc05b243eb38e0d9ed401215b97eb76d17e0acec5caa86551dc",
"1d3132e2286f474ff5ef5fe01029ac6ffce9c188ab971aa4dde5a4855e8c9dd7",
"74d2ec94df3e9ff31f691ec5cefba389c81... | 1.257085 |
pubchem:743359 | O=C(Nc1ccc(Br)cc1)c1cc(C2CC2)on1 | 3d5424f791b7709b0318ba65cff2aac4d976ceba5890a3429a228ef57fc72dca | [
"CC(C)c1cc(C(=O)Nc2ccc(F)cc2F)no1",
"O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c1",
"CN1CCN(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1",
"O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(... | [
"4da93e6914b4f48d74315ca912607226765588049873eca040c2820e46fb2a19",
"61b42caebd392cfa9353fbbd99dfba49429b982e009885416cac99ccc6b54216",
"ea5b94939d18abc05b243eb38e0d9ed401215b97eb76d17e0acec5caa86551dc",
"1d3132e2286f474ff5ef5fe01029ac6ffce9c188ab971aa4dde5a4855e8c9dd7",
"74d2ec94df3e9ff31f691ec5cefba389c81... | 1.256597 |
pubchem:743359 | O=C(Nc1ccc(Br)cc1)c1cc(C2CC2)on1 | 3d5424f791b7709b0318ba65cff2aac4d976ceba5890a3429a228ef57fc72dca | [
"COc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1",
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccccc1NC(=O)c1cc(-c2ccccc2)on1",
"CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1",
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O... | [
"1846fbad41d36c2efc80f70a8a9d561b5e42fb32f96aee2f5303c5e49a9d1478",
"884276e5d9e82f9cb0be7e467298783dee6bfc023867f0cabcad613d7b59ad81",
"a7563dd838da481b9eea732286f90d29c45b7670f95962f1ab34301fb87131de",
"479322b95aad7a0aadcd15246841d239008e773e62d73d4abdce759b9ccb913d",
"602c535020ceb2f6726b6b7fb3385e7b5d0... | 1.256597 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(N(C)C)cc1 | 3bcd3efd3e637f41ee6f2b5ef143b3a8fe9a0b1988fb5a9b1a31e546d434fe79 | [
"COc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1",
"COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1",
"O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1",
"CCc1ccccc1NC(=O)c1cc(-c2ccccc2)on1",
"CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1",
"COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1",
"COc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O... | [
"1846fbad41d36c2efc80f70a8a9d561b5e42fb32f96aee2f5303c5e49a9d1478",
"884276e5d9e82f9cb0be7e467298783dee6bfc023867f0cabcad613d7b59ad81",
"a7563dd838da481b9eea732286f90d29c45b7670f95962f1ab34301fb87131de",
"479322b95aad7a0aadcd15246841d239008e773e62d73d4abdce759b9ccb913d",
"602c535020ceb2f6726b6b7fb3385e7b5d0... | 1.25 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(N(C)C)cc1 | 3bcd3efd3e637f41ee6f2b5ef143b3a8fe9a0b1988fb5a9b1a31e546d434fe79 | [
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1O",
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN... | [
"d1c39fbd9d00bc03267d303ec6ec41a58ef103694d8bc2bc9ad871e6ed8c2693",
"fe517b5ea10c7a38d4a264dc8c88313990ccf9dbc18b1189b1ba3acda4c10864",
"a41a8418c392dcf55fda7416464128bd5593831f0ecef9392347bffbcffa4c0a",
"bf97a9ac5ac4ea3bd3c6cc03a5a382092affc38c82ba9a8f6b6da95bf519a117",
"0a4a2702caba544cc0a66f733cac788efb1... | 1.25 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 | b020930caed1ecaf2347c1aa0c53a2036cf4ba28c58f45b492788d9c9c2b05c2 | [
"C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccc(Br)cc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1",
"O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1O",
"O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1",
"O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1",
"COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCN... | [
"d1c39fbd9d00bc03267d303ec6ec41a58ef103694d8bc2bc9ad871e6ed8c2693",
"fe517b5ea10c7a38d4a264dc8c88313990ccf9dbc18b1189b1ba3acda4c10864",
"a41a8418c392dcf55fda7416464128bd5593831f0ecef9392347bffbcffa4c0a",
"bf97a9ac5ac4ea3bd3c6cc03a5a382092affc38c82ba9a8f6b6da95bf519a117",
"0a4a2702caba544cc0a66f733cac788efb1... | 1.25 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 | b020930caed1ecaf2347c1aa0c53a2036cf4ba28c58f45b492788d9c9c2b05c2 | [
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1"
] | [
"e6f781db4b07db496d3ed80581b3a2d89a42c3517f27935f3df036285ded354d",
"f1ab32e580c57f7f64559153aed3220def1878f9fcc4ea08620f282644616914",
"07477ff0b69f279a69c1a05f1afcc10753f787dfb5ecf9b0a5dc5665ae958713",
"435729de28a3fcac9ff2e8883f338cbd698b8506c0b1ba0f7e101b9f77dc4c67",
"2e87d273e98298b517c7f31e0294ad4ea16... | 1.25 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCOCC2)cc1 | 6fec393b258029f7c7e3c65cd73cb3e311070e9b8289d98ac1b9b7e1d605c26b | [
"CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)cc1C(=O)Nc1ccccc1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1",
"O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1",
"Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCN(C)CC2)cc1",
"CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1"
] | [
"e6f781db4b07db496d3ed80581b3a2d89a42c3517f27935f3df036285ded354d",
"f1ab32e580c57f7f64559153aed3220def1878f9fcc4ea08620f282644616914",
"07477ff0b69f279a69c1a05f1afcc10753f787dfb5ecf9b0a5dc5665ae958713",
"435729de28a3fcac9ff2e8883f338cbd698b8506c0b1ba0f7e101b9f77dc4c67",
"2e87d273e98298b517c7f31e0294ad4ea16... | 1.25 |
pubchem:743359 | COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCOCC2)cc1 | 6fec393b258029f7c7e3c65cd73cb3e311070e9b8289d98ac1b9b7e1d605c26b | [
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCN(C)CC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1",
"COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1",
"COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1",
"CN1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1",
"CCN(C(=O)c1cc(Cl)... | [
"1098f10ca3d28ac313524af9de4bbfa9657e75d68da19dac286b14c8f47646bd",
"94d33f9842d296b850f72e9bb5189b429839ff9c476ea6f69137c377384f1e5d",
"a04bee69445beeed3a3bad2297e308225a20de8438c866db032ec18ae314593f",
"786f2e090d4de120d16abc35bcd4dd431df568727d88a24ab9ddda867f727f8f",
"9e2fab4a29cf2564463c2be4b01d489be23... | 1.25 |
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