SANC00111 9-Angelylplatynecine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-3001536995 0.91 [C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
MolPort-046-153-852 0.91 C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
MCULE-4226767409 0.84 N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
MCULE-5741931390 0.84 N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
MCULE-1328502038 0.84 C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
MolPort-046-153-866 0.84 C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
MolPort-044-754-029 0.84 C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
MolPort-006-111-467 0.84 C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
MolPort-000-748-737 0.81 [Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MolPort-027-717-778 0.81 Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-511-364 0.78 CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MCULE-2868704165 0.78 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MolPort-000-738-299 0.77 [I-].CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MCULE-3636847680 0.77 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MCULE-4094691449 0.76 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C
MCULE-5975824916 0.76 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C
MolPort-002-514-288 0.76 C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
MolPort-002-509-606 0.76 C=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MCULE-4354077810 0.75 [C@H]1(O)[C@H]2N(C)[C@H](C[C@@H](OC(=O)/C(=C/C)/C)C2)[C@H]1OC(/C(/C)=C/C)=O
MCULE-5410367230 0.75 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C.[I-]
MolPort-039-338-396 0.75 C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C
MolPort-002-525-319 0.75 CCC(CO)NCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-707-524 0.75 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
MolPort-009-757-738 0.75 OC(C(O)C(O)=O)C(O)=O.C\C=C1/C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-531-325 0.74 COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-046-153-871 0.74 CC(C)CC(=O)OC1CC2CC(O)C(C1)N2C
MCULE-4869122368 0.74 C1C(O)C2N(C)C1CC(OC(CC(C)C)=O)C2
MolPort-002-531-713 0.74 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
MolPort-002-531-287 0.73 CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-530-793 0.73 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
MolPort-002-509-334 0.73 CN(CC(O)C(O)C(O)C(O)CO)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-532-611 0.73 COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MCULE-8670586100 0.73 N1C(C)(C)CC(CC1(C)C)OC(=O)C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-003-707-657 0.73 CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C\C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-152-394 0.73 CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C/C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-519-484 0.73 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
MolPort-002-512-487 0.73 CC12CC(CC(C)(C)C1)N(CC1[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC1=O)C2
MolPort-002-524-948 0.72 CC(C)CNCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-524-386 0.72 C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
MolPort-002-513-596 0.72 COCCCNCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-517-235 0.72 CCC(CO)NCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MCULE-8076139844 0.72 O=C1C2(CCCNC2)CC(C)(C)O1
MCULE-9542568510 0.72 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@]23[H])C
MCULE-3408134534 0.72 [C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
MCULE-2453824717 0.72 C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
MCULE-7322741531 0.72 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-8392481784 0.72 C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
MCULE-1098347199 0.72 C1(=C/C)/C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC/1=O)[C@@]23[H])C
MolPort-009-758-530 0.72 OC(=O)C(O)=O.COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-006-111-401 0.72 C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-001-970-710 0.72 C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-007-549-187 0.72 C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-039-338-352 0.72 C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-039-339-124 0.72 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
MolPort-002-527-317 0.72 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-532-582 0.72 CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-516-159 0.71 CC(CO)(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-375 0.71 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
MolPort-002-523-814 0.71 CC1CCN(CC2[C@H]3C[C@H]4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-513-444 0.71 CC1CCCCN1CC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-569 0.71 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCC4CO)[C@H]3[C@@H]3O[C@]123
MolPort-046-597-755 0.71 CC1(C)CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-573 0.71 CC1CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-636 0.71 CC1(C)CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-775 0.71 CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-000-764-181 0.71 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CCCC1
MolPort-002-532-538 0.71 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
MCULE-9663035334 0.71 C1(CN2CCCC2)C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-5340701449 0.71 OC1CC(C(OC2CCC2)=O)CNC1
MCULE-4307048516 0.71 [C@]123C[C@@]4([C@@](O)(C[C@@H]([C@]5(O)[C@]([C@]6([H])CC[C@]([H])(C)CN6C[C@]54[H])(C)O)O)[C@]1([H])CC[C@@]1([C@](O)([C@H](CC[C@]21C)OC(=O)C(C)=CC)O3)[H])O
MCULE-5893495558 0.71 CCC1OCC2(C(C(OC)=O)CNC2)C1
MCULE-2103412004 0.71 C12(CCCNC1)CCOC2=O
MolPort-002-513-682 0.71 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-002-513-365 0.70 CC(NCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
MolPort-009-757-940 0.70 Cl.CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-006-126-310 0.70 CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-044-754-045 0.70 C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
MolPort-008-346-707 0.70 C[C@@H]1C[C@H]2C(CN3CCC(C)CC(C)(C)C3)C(=O)O[C@@H]2C2[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-002-511-467 0.70 CC12CC(CC(C)(C)C1)N(CC1[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC1=O)C2
MCULE-6447820968 0.70 COC(C1C2(COC(C)CC2)CNC1)=O
MCULE-7305711469 0.70 CC1OCC2(C(CO)NCC2)CC1
MCULE-7481271494 0.70 C(=O)(C(C)=C)OC1CC(C)(C)NC(C)(C)C1
MCULE-5167089946 0.70 CCCC1C2(C(CO)NCC2)COC1
MCULE-4439033625 0.70 CCC1OCC2(C(CO)NCC2)C1
MCULE-3802865413 0.70 OCC1C2(CC(C3CC3)OC2)CCN1
MCULE-5978480981 0.70 CC(C1OCC2(C(CO)NCC2)C1)C
MCULE-1752229824 0.70 C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O
MCULE-7385234822 0.70 C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCCCCCCCCCCCCCCCCCC
MCULE-7478824453 0.70 C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCC1C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-7545978849 0.70 N1(C)C2CCC1CC(OC(=O)CCN1CCCC1)C2
MCULE-4659933370 0.70 [NH+]1(C)C2CCC1CC(OC(=O)CC[NH+](CC)CC)C2
MCULE-5328556833 0.70 N1(C)C2CCC1CC(OC(=O)CCN1CCCCC1)C2
MCULE-7225818953 0.70 C1(CCCNC1)(CCOC)C(OCC)=O
MCULE-1506963069 0.70 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
MCULE-7838408162 0.70 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32[H])O1
MCULE-2275165086 0.70 CCC1OCC2(C(C(O)=O)CNC2)C1
MCULE-9273757492 0.70 CCCC1C2(C(C(O)=O)CNC2)COC1
MCULE-5958737035 0.70 CCOC(C1C2(CC(C)OC2)CNC1)=O
MCULE-9402104350 0.70 COC(C1C2(C(C)C(C)OC2)CNC1)=O
MCULE-9230891451 0.70 CCC1C2(C(C(OC)=O)CNC2)COC1
MCULE-2112951562 0.70 CC(C1OCC2(C(C(O)=O)CNC2)C1)C
MCULE-8007991830 0.70 N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MCULE-5989447169 0.70 OC(C1C2(CC(C3CC3)OC2)CNC1)=O
MolPort-002-513-921 0.70 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNC1CCCCC1
MolPort-002-513-714 0.70 CCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-035 0.70 CCCCCCCCCCCCCCCCCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-002-523-538 0.70 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
MolPort-002-513-672 0.70 CC(C)CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-516-887 0.70 CC(C)CCCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-766-316 0.70 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-002-509-502 0.70 CCCCCCCCCCN(CCCCCCCCCC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-462 0.70 CC(C)CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-380 0.70 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCCO)[C@H]3[C@@H]3O[C@]123
MolPort-007-549-844 0.70 CCN(CC)CCC(=O)OC1CC2CCC(C1)N2C
MolPort-000-917-846 0.70 CN1C2CCC1CC(C2)OC(=O)CCN1CCCC1
MolPort-000-917-848 0.70 CN1C2CCC1CC(C2)OC(=O)CCN1CCCCC1
MolPort-019-885-075 0.70 CCOC(=O)C1(CCOC)CCCNC1
MolPort-000-917-836 0.70 CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MolPort-002-532-325 0.70 CCOC(=O)C1CCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-009-653-454 0.70 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)C(C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-009-758-408 0.70 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-035-813-702 0.70 OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-002-508-685 0.69 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-002-528-372 0.69 CCOC(=O)C1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-512-509 0.69 CC1CN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-002-516-627 0.69 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN(CCO)CCO
MolPort-046-674-717 0.69 CC(C)(C)OC(=O)CC1CC2(CN1)CCOCC2
MolPort-046-676-197 0.69 CCOC(=O)CC1CC2(CN1)CCOCC2
MolPort-029-702-303 0.69 CCOC(=O)C1CNCC(O)C1
MolPort-002-510-177 0.69 CC1CC(=O)C(C)CN1CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-285 0.69 CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-524-969 0.69 C[C@]12CCCC(=C)[C@@H]1CC1C(C2)OC(=O)[C@H]1CN1CCCCC1
MolPort-002-516-469 0.69 CC1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-574 0.69 CCC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-400 0.69 CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)(C)C1
MolPort-002-510-628 0.69 CC1(C)CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-352 0.69 CC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-536-143 0.69 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1
MolPort-000-840-041 0.69 OC(=O)C(O)=O.CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-531-307 0.69 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
MCULE-5845302148 0.69 C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O.[I-]
MCULE-9091644786 0.69 CC(OC(C1CC(O)CNC1)=O)C
MCULE-3893708934 0.69 C1NCC(O)CC1C(OCC)=O
MCULE-3796927397 0.69 CC(OC(C1CC(O)CNC1)=O)(C)C
MCULE-6555618294 0.69 COC(C1C(C2OCCCC2)CNC1)=O
MCULE-8850231818 0.69 CC1OCC2(C(C(O)=O)CNC2)CC1
MCULE-8122860843 0.69 [C@H]1(CN2CCCCC2)C2C[C@@]3([H])C(CCC[C@@]3(CC2OC1=O)C)=C
MCULE-9057047804 0.69 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C)C
MCULE-4362937503 0.69 CC1C(C)C2(C(CO)NCC2)CO1
MCULE-6472712533 0.69 CC(C1C2(C(CO)NCC2)COC1)C
MCULE-9198609119 0.69 CCC1C2(C(CO)NCC2)COC1
MCULE-1177941465 0.69 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C
MCULE-8063754314 0.69 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)C)=O
MCULE-8417865679 0.69 OCC1C(C2OCCCC2)CCN1
MCULE-6679332719 0.69 C1CC2C(CCCN2CC1)COC(C(C)C)=O
MCULE-4542579395 0.69 N1(C)C(C)(C)CC(CC1(C)C)OC(=O)C=C
MCULE-3102142398 0.69 C1CC2C(CCC[N+]2(C)CC1)COC(=O)C(C)(C)C
MCULE-4835828161 0.69 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(C(C)C)=O)C
MCULE-7023574052 0.69 [NH+]1(C)C2CCC1CC(OC(=O)CC[NH+]1CCCC1)C2.[Cl-].[Cl-]
MCULE-5721445773 0.69 [Cl-].[Cl-].[NH+]1(C)C2CCC1CC(OC(=O)CC[NH+]1CCCCC1)C2
MCULE-4735235662 0.69 [Cl-].[Cl-].[NH+]1(C)C2CCC1CC(OC(=O)CC[NH+](CC)CC)C2
MCULE-4314679873 0.69 N1(C)C2CCC1CC(OC(=O)CCN1CCCCCC1)C2
MCULE-7245299455 0.69 CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C
MCULE-8563364765 0.69 C1(CCOC)(CCCN(CC2CCCC2)C1)C(OCC)=O
MCULE-7273726014 0.69 C1(CCOC)(CCCN(C2CCOCC2)C1)C(OCC)=O
MCULE-7852927352 0.69 C1(=O)OC2C(CC3C(C)(CCCC43CO4)C2)C1CNCCC[NH+](CCCC)CCCC
MCULE-4712401568 0.69 Cl.Cl.N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MolPort-046-597-781 0.69 CC1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-511-997 0.69 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@H]3C3OC123
MolPort-002-513-544 0.69 CC1CCCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-783 0.69 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-002-513-716 0.69 CC1CCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-046-597-671 0.69 CC1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-000-698-703 0.69 CC(C)(C)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-007-980-927 0.69 CC(C)(C)C(=O)OCC1CCC[N+]2(C)CCCCC12
MolPort-006-128-894 0.69 CN1C(C)(C)CC(CC1(C)C)OC(=O)C=C
MolPort-002-514-968 0.69 CC(C)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-513-415 0.69 CC(C)(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-514-079 0.69 CC(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-005-104-153 0.69 CCOC(=O)C1(CCOC)CCCN(CC2CCCC2)C1
MolPort-005-085-071 0.69 CCOC(=O)C1(CCOC)CCCN(C1)C1CCOCC1
MolPort-002-514-798 0.69 CCN(CC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-523-089 0.69 CCCCN(CCCC)CCCNCC1[C@H]2C[C@H]3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-837-516 0.69 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MolPort-002-509-999 0.69 CC1CN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-020-394-590 0.68 Cl.CCOC(=O)C1CNCC(O)C1
MolPort-002-526-411 0.68 COC(CN(C)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-532-110 0.68 COC(CNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-528-659 0.68 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCCC3)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-005-909-548 0.68 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCCCC3)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)C12)OC(C)=O
MolPort-039-338-347 0.68 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-649-808 0.68 COC(=O)C1NCCC1C1CCCO1
MolPort-002-513-602 0.68 CC(NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
MolPort-002-531-298 0.68 CCOC(=O)C1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-039-338-348 0.68 C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-000-727-708 0.68 CCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-000-733-052 0.68 [I-].CC(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-044-453-918 0.68 Cl.CC1(C)C2CC1C(COCC(O)CN1CCC3(CCOC3=O)CC1)=CC2
MolPort-046-153-870 0.68 CC(C)C(=O)OC1CC2CCC(C1)N2C
MolPort-002-512-582 0.68 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1CC1
MolPort-000-745-994 0.68 [I-].CC(C)(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MCULE-8420582011 0.68 Cl.C1NCC(O)CC1C(OCC)=O
MCULE-3998904475 0.68 CC(C1C2(C(C(O)=O)CNC2)COC1)C
MCULE-3047998923 0.68 COC(C1C2(CC(C)OC2)CNC1)=O
MCULE-8631542993 0.68 CC1C(C)C2(C(C(O)=O)CNC2)CO1
MCULE-6793558875 0.68 OC(C1C(C2OCCC2)CCN1)=O
MCULE-6149874189 0.68 CCC1C2(C(C(O)=O)CNC2)COC1
MCULE-4663213110 0.68 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-8030008242 0.68 [C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-5409780377 0.68 CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C.Cl
MCULE-8374202572 0.68 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCC)=O
MCULE-6781314051 0.68 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)C)=O.[I-]
MCULE-4687996121 0.68 C1CC2C(CCC[N+]2(C)CC1)COC(CC(C)C)=O
MCULE-1368739304 0.68 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C)C
MCULE-5419019085 0.68 C1CC2N(C)C1CC(OC(=O)C(C)C)C2
MCULE-4837858754 0.68 C1CC2C(CCC[N+]2(C)CC1)COC(=O)C(C)(C)C.[I-]
MCULE-1898369090 0.68 C1CC2C(CCC[N+]2(C)CC1)COC(=O)CCN
MCULE-9277249920 0.68 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(C(C)C)=O)C.[I-]
MCULE-5912075643 0.68 C1CC2C(CCCN2CC1)COC(=O)C1CCCNC1
MCULE-2376669005 0.68 N1(C)C2CCC1CC(OC(=O)CCN1CCCCCC1)C2.Cl.Cl
MCULE-3754452845 0.68 CCOC(C1C2(C(C)COC2)CNC1)=O
MCULE-4308297259 0.68 C12(C(OC(C)(C)C)=O)C(CO)C(CC1)CNC2
MCULE-9470084264 0.68 [C@H]1(OC(C)=O)[C@@H]2CC[C@@H](O)[C@@H](N2)C1
MCULE-9193752129 0.68 CC1CCC(CN2CC3(COCC3)CC2)(O)CC1
MCULE-1828345674 0.68 CC1OCC2(C(CO)NCC2)C1
MCULE-6399726987 0.68 C/C(/C)=C/COC1CCNCCC1
MCULE-9742345162 0.68 [NH+]1(CCCC1)C1CCC2C(OC(C)=O)C1CCC2
MCULE-2968545460 0.68 OC(C(O)=O)CN1CC2C(COC2)CC1
MCULE-1042332859 0.68 O=C1C2(CCNC2)CCO1
MCULE-3269142655 0.68 C1(=O)C2CCNCC2CO1
MolPort-002-085-765 0.68 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCCCCC1
MolPort-046-509-867 0.68 CCOC(=O)C1CCNC11COC1
MolPort-039-138-404 0.68 CC(C)(C)OC(=O)C12CCC(CNC1)C2CO
MolPort-002-532-542 0.68 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC(CC1)N1CCCCC1
MolPort-044-754-020 0.68 CC(=O)O[C@@H]1C[C@@H]2N[C@H]1CC[C@H]2O
MolPort-002-525-635 0.68 CN(CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C1CCN(C)CC1
MolPort-046-657-760 0.68 CC(C)(C)OC(=O)C1NCCC1C1CCCO1
MolPort-046-651-718 0.68 CCOC(=O)C1NCCC1C1CCCO1
MolPort-002-564-286 0.68 CC(=O)OC1C2CCCC1C(CC2)[N+]1(C)CCCC1
MolPort-002-563-309 0.68 CC(=O)OC1C2CCCC1C(CC2)[NH+]1CCCC1
MolPort-027-663-121 0.68 CC1CCC(O)(CN2CCC3(CCOC3)C2)CC1
MolPort-039-239-799 0.67 Cl.OC(=O)C1NCCC1C1CCCO1
MolPort-002-530-731 0.67 CCOC(=O)C1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-513-617 0.67 CCOC(=O)C1CCN(CC2[C@H]3CC4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-514-906 0.67 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCOCC1
MolPort-002-516-695 0.67 COC(CN(C)CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-513-564 0.67 COC(CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-511-976 0.67 CC1CN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-002-515-528 0.67 C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCCC3)[C@@H]2CCC1=C
MolPort-002-512-880 0.67 CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-044-754-026 0.67 CC[C@H](C)C(=O)OC1CC2CCC(C1)N2C
MolPort-035-748-624 0.67 COC(=O)[C@]12CNC[C@H]1COCC2
MolPort-002-513-634 0.67 CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-046-597-712 0.67 CCC1(C)CC2(CCCN(CCC(=O)OC)C2)CCO1
MolPort-046-647-151 0.67 COC1CNCC(C1)C(=O)OC(C)(C)C
MolPort-044-652-673 0.67 CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1C1CC1
MolPort-002-742-905 0.67 CCOC(=O)C1CC(C)(C)N2CCCC12
MolPort-039-290-059 0.67 CC(C)(C)OCCN1C2CCC1C(C2)C(=O)OC(C)(C)C
MolPort-046-153-864 0.67 COC(=O)[C@](O)(CC(C)C)CC(=O)OC[C@@H]1CCN2CCC[C@@H]12
MCULE-5640981112 0.67 OC(C1C(C2OCCCC2)CCN1)=O
MCULE-4382289811 0.67 OC(C1C(C2OCCC2)CCN1)=O.Cl
MCULE-3107130978 0.67 CC(C(O)(C)C)NCC1(C(C2CC2)OCC1)C
MCULE-7422922242 0.67 [I-].C1CC2C(CCC[N+]2(C)CC1)COC(=O)CCN
MCULE-4094077924 0.67 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O
MCULE-9433711196 0.67 [I-].C1CC2C(CCC[N+]2(C)CC1)COC(CC(C)C)=O
MCULE-4294846062 0.67 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O)C
MCULE-5390697935 0.67 N1C[C@H](C2CC2)[C@@H](C(OCC)=O)C1
MCULE-9311683235 0.67 C1CN2C(C)(C)CC(C(OCC)=O)C2C1
MCULE-4367351931 0.67 CCOC([C@H]1[C@H](C2CC2)CNC1)=O
MCULE-7908161674 0.67 CCOC([C@@]1(CNC[C@]1(C1CC1)[H])[H])=O
MCULE-3839164590 0.67 CC1OCC2(C(C(O)=O)CNC2)C1
MCULE-9230657451 0.67 CN1C(C)(C)CC2(C(=O)OC(=O)C2)C1
MCULE-8902707234 0.67 CCOC([C@]12[C@@](OCC1)([H])CCNC2)=O
MCULE-7252907887 0.67 [C@@]12([H])CCCN1CC[C@H]2COC(C[C@@](C(=O)OC)(O)CC(C)C)=O
MCULE-9550261096 0.67 CC(OCCN1C2C(C(OC(C)(C)C)=O)CC1CC2)(C)C
MCULE-5504260229 0.67 O=C1OC2C(NCCC2)C1
MCULE-6984072705 0.67 Cl.C12(CCNC1)CCOC2=O
MCULE-6634764110 0.67 CC1(OC(C)(C)C(NCCC2C(=O)OCC2)C1)C
MCULE-4751392649 0.67 C12CCCCC1N(CCC2OC(C)=O)CCOC
MCULE-2289218842 0.67 OC(C(C1COCCC1)NC(CCCOCC=C)=O)=O
MCULE-4443404520 0.67 OC(C1C(C2OCCCC2)CNC1)=O
MCULE-8658253025 0.67 OCC1(NCC(O)C1)CC1OCCC1
MCULE-7788097221 0.67 [Cl-].[NH+]1(CCCC1)C1CCC2C(OC(C)=O)C1CCC2
MCULE-3337090222 0.67 COC(C1C2(C(C)COC2)CNC1)=O
MCULE-7021786077 0.67 COC(CC1NCC2(CCOCC2)C1)=O
MolPort-046-677-583 0.67 CCOC(=O)C1(CCOC)CCNC1
MolPort-000-729-354 0.67 [I-].CC(=O)OC1C2CCCC1C(CC2)[N+]1(C)CCCC1
MolPort-046-677-250 0.67 COCCC1(CCNC1)C(=O)OC(C)(C)C
MolPort-002-518-189 0.67 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCO)CC1
MolPort-002-516-478 0.67 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)C12)OC(C)=O
MolPort-030-033-274 0.67 CC1(C)CC(NCCC2CCOC2=O)C(C)(C)O1
MolPort-046-791-053 0.67 Cl.COC(=O)[C@@H]1[C@H]2CN[C@@H]1[C@@H](O)C2
MolPort-000-714-811 0.67 [Cl-].CC(=O)OC1C2CCCC1C(CC2)[NH+]1CCCC1
MolPort-035-789-342 0.67 Cl.O=C1OCCC11CCNC1
MolPort-002-523-401 0.67 CCCCN(CCCC)CCCNCC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-726-877 0.67 COCCN1CCC(OC(C)=O)C2CCCCC12
MolPort-002-513-534 0.66 COC(CN(C)CC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-513-705 0.66 COC(CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-513-468 0.66 C\C1=C/CCC2C(OC(=O)C2CN2CCCCC2)\C=C(C)\CC1
MolPort-002-742-920 0.66 CCOC(=O)C1CC2(CCCC2)N2CCCC12
MolPort-000-767-945 0.66 OC(=O)C([O-])=O.CCCC[NH+](CCCC)CCCNCC1C2CC3C4(CO4)CCCC3(C)CC2OC1=O
MolPort-002-875-247 0.66 CCOC(=O)C1C(N2CCCC2)C(C)(C)C1C(=O)OCC
MolPort-046-654-339 0.66 CCOC(=O)[C@@H]1CNC[C@H]1C1CCCC1
MolPort-046-654-616 0.66 CC(C)(C)OC(=O)[C@]12CCC[C@H]1NCC2
MolPort-044-422-705 0.66 CC(C)(C)OC(=O)[C@]12CCC[C@H]1CNC2
MolPort-046-654-617 0.66 CCOC(=O)[C@]12CCC[C@H]1NCC2
MolPort-046-654-626 0.66 CC(C)(C)OC(=O)[C@]12CNC[C@H]1CCCC2
MolPort-046-673-908 0.66 CC(C)(C)OC(=O)C12CCNC1CCCCC2
MolPort-046-201-457 0.66 CCOC(=O)C12CCCC1NCC2
MolPort-038-941-695 0.66 CN1C2CC(OC(C)=O)C1CC(O)C2
MolPort-046-666-650 0.66 CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1C1CCCC1
MolPort-046-667-498 0.66 CCOC(=O)[C@]12CCC[C@H]1CNC2
MolPort-046-667-583 0.66 CCOC(=O)[C@]12CNC[C@H]1CCCC2
MolPort-044-559-439 0.66 Cl.CCOC(=O)[C@@H]1CNC[C@H]1C1CC1
MolPort-009-758-298 0.66 OC(=O)C(O)=O.CCCCN(CCCC)CCCNCC1[C@H]2C[C@H]3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-740-406 0.66 CCOC(=O)C1CC2(CCCCC2)N2CCCC12
MolPort-044-528-377 0.66 CC(NC(CO)C1CCCOC1)[C@@H]1C[C@H]1C1CC1
MolPort-000-698-216 0.66 CCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-598-039 0.66 CCCCCCCCCCCCCCCC(=O)OC[C@H]1CCC[N+]2(C)CCCC[C@@H]12
MolPort-009-757-776 0.66 Cl.CC[C@@]1(C)C[C@@]2(CCCN(CCC(=O)OC)C2)CCO1
MolPort-002-512-627 0.66 CCCCC(CC)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-676-253 0.66 CC(C)(C)OC(=O)C[C@@H]1CC2(CC2)CN1
MolPort-000-735-063 0.66 [I-].CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-512-320 0.66 CCCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-009-757-828 0.66 Cl.CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-513-963 0.66 CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-514-709 0.66 COC(=O)CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-677-552 0.66 CCOC(=O)C[C@@H]1CC2(CC2)CN1
MolPort-000-731-774 0.66 [Cl-].CCCCC(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MolPort-002-514-612 0.66 CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-007-980-926 0.66 CC(=O)OC[C@H]1CCC[N+]2(C)CCCCC12
MolPort-002-513-402 0.66 COC(=O)CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MCULE-1137152976 0.66 C1(CN2CCCCC2)C2CCC=C(C)CCC(C)=CC2OC1=O
MCULE-1138929373 0.66 Cl.CCOC([C@]12[C@@](OCC1)([H])CCNC2)=O
MCULE-6179361564 0.66 C(=O)([O-])C(O)=O.C1(=O)OC2C(CC3C(C)(CCCC43CO4)C2)C1CNCCC[NH+](CCCC)CCCC
MCULE-4826245259 0.66 OC1CC2N(C)C(CC2OC(=O)C)C1
MCULE-6360711273 0.66 C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C.C(O)(=O)C
MCULE-7372965018 0.66 C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C
MCULE-5901418639 0.66 Cl.CCOC([C@H]1[C@H](C2CC2)CNC1)=O
MCULE-1687100377 0.66 CC(OC([C@@]12CNC[C@@H]1CCC2)=O)(C)C
MCULE-7272999559 0.66 Cl.CCOC([C@@]1(CNC[C@]1(C1CC1)[H])[H])=O
MCULE-4059707100 0.66 C1CN2C3(CCCC3)CC(C(OCC)=O)C2C1
MCULE-8241169253 0.66 [H]Cl.N1C[C@H](C2CC2)[C@@H](C(OCC)=O)C1
MCULE-8333260284 0.66 CCOC(=O)C1CC2(CCCCC2)N2C1CCC2
MCULE-5762838853 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCCCCCCCCC)=O
MCULE-4714857413 0.66 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCC(OC)=O)=O)C
MCULE-5688259881 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCC)=O
MCULE-6083266397 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCC)=O
MCULE-8698625131 0.66 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCCCCCCCCCCC)=O)C
MCULE-2839907515 0.66 [Cl-].[NH+]12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O
MCULE-9646637949 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C(CCCC)CC)=O
MCULE-8673972432 0.66 CCCC(C(OC1CC2[N+](C)(C)C(CC2)C1)=O)CCC
MCULE-9080776696 0.66 [N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(CCCCCCCCCCCCCCC)=O)C
MCULE-5891282453 0.66 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O)C
MCULE-3863408149 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCC(OC)=O)=O
MCULE-9553301627 0.66 OCCN(C1CC1)CC1C2OC(CC2)C1
MCULE-9340415287 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C)=O
MCULE-2512632851 0.66 O=C(C1CC(=O)N(C2CCCCCC2)C1)OC1(C2COCC2)CC1
MCULE-1193590144 0.66 C12(O)C(O)C3C(C4C56CC(OC(C)=O)CC7(CN(C(C57)CC14CC3=C)C62)C)O
MCULE-4746280932 0.66 C12(OCC(O)CN3CCC(CC3)C(OCC)=O)CC3CC(CC(C3)C1)C2
MCULE-6768646276 0.66 C(C1CCCC=1)OC1CCNCCC1
MCULE-9031422779 0.66 OC(C(CN1CC2C(COC2)CC1)=C)=O
MCULE-8730689047 0.66 OC(C12CCOCC1CNC2)=O
MCULE-1211352766 0.66 C12CCCCC1N(CCC2OC(C)=O)CCOC.[H]Cl
MCULE-9591118506 0.66 Cl.COC(CC1NCC2(CCOCC2)C1)=O
MCULE-3775714142 0.66 CCOC(C1CN(CC2(CCCC2)O)CCC1)=O
MCULE-4246450341 0.66 C12CCC(CCC1[N+]1(CCCC1)C)C2OC(C)=O
MCULE-8802884535 0.66 C12CCC(CCC1[NH+]1CCCC1)C2OC(C)=O
MCULE-7615957845 0.66 CCC1OCC2(C(C)CNC2)C1
MCULE-9473619059 0.66 CC1C2(CC(C3CC3)OC2)CNC1
MCULE-9832257594 0.66 CC(C1OCC2(C(C)CNC2)C1)C
MCULE-9440795307 0.66 CCCC1C2(C(C)CNC2)COC1
MCULE-9786840543 0.66 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1=CC=CC=C1)C
MCULE-5897452607 0.66 N12CCCCC1C(CCC2)COC(=O)C=CC1C=CC=CC=1
MCULE-9327973636 0.66 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1C=CC=CC=1
MolPort-035-838-494 0.66 O=C(OC1(CC1)C1CCOC1)C1CN(C2CCCCCC2)C(=O)C1
MolPort-002-513-382 0.66 CN(CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)C1CCN(C)CC1
MolPort-039-030-048 0.66 O.O.CCC1OC(=O)C(C)C(CC2CC(C)(OC)C(O)C(C)O2)C(C)C(CC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
MolPort-002-510-187 0.66 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-002-526-331 0.66 CC(=O)O[C@H]1C[C@@]2(C)CN3C4C[C@]56CC(=C)[C@@H]7[C@@H](O)[C@H]5C(C1)([C@@H]24)[C@@H]3[C@@]6(O)C7O
MolPort-000-824-776 0.66 OC(=O)C(O)=O.COC(CNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-516-845 0.66 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCO)CC1
MolPort-002-532-198 0.66 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC(CC1)N1CCCCC1
MolPort-002-530-678 0.66 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC(CC4)N4CCCCC4)[C@H]3C3OC123
MolPort-019-774-629 0.66 CC(=O)OC1CC2(C)CN3C4CC56CC(=C)C7C(O)C5C(C1)(C24)C3C6(O)C7O
MolPort-008-346-890 0.66 CC(=O)OC1C[C@@]2(C)CN3[C@H]4C[C@]56CC(=C)C7[C@@H](O)C5C(C1)(C24)[C@H]3C6(O)[C@H]7O
MolPort-000-841-322 0.66 OC(=O)C(O)=O.CCOC(=O)C1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-526-301 0.66 CN(C)CCNCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-532-020 0.66 CC(C)N(CCNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C(C)C
MolPort-046-419-862 0.66 Cl.COC(=O)CC1CC2(CN1)CCOCC2
MolPort-046-669-344 0.66 CC(C)(C)C[C@@H]1CNC[C@H]1C(=O)OC(C)(C)C
MolPort-046-655-993 0.66 CCOC(=O)[C@@H]1CNC[C@H]1CC(C)(C)C
MolPort-046-510-782 0.66 OC(=O)C12CNCC1COCC2
MolPort-023-232-515 0.66 CCOC(=O)C1CCCN(CC2(O)CCCC2)C1
MolPort-002-012-856 0.66 CC(=O)OC1C2CCC1C(CC2)[N+]1(C)CCCC1
MolPort-002-513-501 0.66 C[N+]12CCCC[C@@H]1[C@H](COC(=O)\C=C\C1=CC=CC=C1)CCC2
MolPort-002-902-792 0.66 O=C(OCC1CCCN2CCCCC12)\C=C\C1=CC=CC=C1
MolPort-002-516-437 0.66 CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC5(CC4)OCCO5)[C@H]3CC12O
MolPort-002-531-653 0.66 CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCC1
MolPort-000-729-533 0.66 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)\C=C\C1=CC=CC=C1
MolPort-002-516-682 0.66 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCC=C
MolPort-044-452-849 0.65 CC(C)(O)C(=O)N1CCC2(C1)CCCOC2
MolPort-046-673-916 0.65 CCOC(=O)[C@@H]1[C@H]2C[C@@H]1NC2
MolPort-046-420-086 0.65 Cl.CCOC(=O)[C@]12CCN[C@H]1CCCCC2
MolPort-046-652-979 0.65 CC(C)(C)OC(=O)C1C2CC1NC2
MolPort-046-651-574 0.65 CCOC(=O)C1C2CC1NC2
MolPort-046-676-902 0.65 CCOC(=O)C1CNCCC11CCOC1
MolPort-046-647-355 0.65 Cl.CCOC(=O)[C@]12CCN[C@H]1CCCC2
MolPort-046-676-936 0.65 CC(C)(C)OC(=O)[C@@H]1[C@H]2C[C@@H]1NC2
MolPort-046-677-258 0.65 CC(C)(C)OC(=O)C1CNCCC11CCOC1
MolPort-009-757-927 0.65 [I-].CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-512-454 0.65 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1CCCC1
MolPort-002-512-893 0.65 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C12CC3CC(CC(C3)C1)C2
MolPort-000-735-433 0.65 O=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-006-110-274 0.65 [Br-].CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
MolPort-000-706-188 0.65 [I-].COC(=O)CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-000-720-842 0.65 [Cl-].CCCCCCC(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MolPort-000-720-945 0.65 [I-].CCCCCCCCCCCCCCCC(=O)OC[C@H]1CCC[N+]2(C)CCCC[C@@H]12
MolPort-045-988-046 0.65 COC(=O)C1CCN(C[C@]23CCC[C@H]2OCC3)CC1
MolPort-030-034-230 0.65 COC(=O)C1(CNCC2CCCC(C)C2)CCOCC1
MolPort-030-025-824 0.65 COC(=O)C1(CNC2CCC(C)C(C)C2)CCOCC1
MolPort-046-688-759 0.65 [Br-].CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C
MolPort-009-758-002 0.65 [I-].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-009-757-849 0.65 Cl.CCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-030-006-654 0.65 CN1C2CCC1CC(C2)OC(C)=O
MolPort-046-092-434 0.65 CCOC1CC(NCC(O)C(C)C)C11CCOCC1
MolPort-002-511-375 0.65 CN1CC2(C)CN(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CC(C)(C1)C2
MolPort-005-100-214 0.65 CCOC(=O)C1(CCOC)CCCN(C\C=C\C(C)C)C1
MolPort-002-513-579 0.65 CCN1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-530-933 0.65 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)C1CCCCC1
MolPort-002-513-619 0.65 CN1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-513-357 0.65 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCCCC1
MolPort-035-705-385 0.65 CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12
MolPort-002-314-611 0.65 Cl.CCOC(=O)C1CCN(CC(O)COC23CC4CC(CC(C4)C2)C3)CC1
MolPort-046-598-017 0.65 CC(C)C(O)(C(C)O)C(=O)OCC1CC2CCC[N+]2(CCCCCCCCCC[N+]23CCCC2CC(COC(=O)C(O)(C(C)C)C(C)O)C3)C1
MolPort-004-952-402 0.65 CC(C)C(O)(C(C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
MolPort-046-153-842 0.65 CC(C)C(O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12
MCULE-7904200520 0.65 CCC1C(C2NCCC2)(O)COC1
MCULE-4439752947 0.65 CC(C1C(C2NCCC2)(O)COC1)C
MCULE-6511825230 0.65 C1(NCCC2OCCC12)C(O)=O
MCULE-3736788947 0.65 CC1C2(C(C(O)=O)CNC2)COC1
MCULE-2241800155 0.65 CC(C(N1CC2(COCCC2)CC1)=O)(O)C
MCULE-2247790603 0.65 C1C2C(C(OCC)=O)C(NC2)C1
MCULE-1873902790 0.65 COC(C1CC2(C(C(OC(C)(C)C)=O)CNC2)C1)=O
MCULE-8391980002 0.65 [I-].[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(CCCCCCCCCCCCCCC)=O)C
MCULE-1716319788 0.65 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C1CCCC1)=O
MCULE-1805448739 0.65 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCCCCCCCCCCC)=O)C
MCULE-3208183097 0.65 COC(C1CCN(C[C@@]23CCO[C@@H]2CCC3)CC1)=O
MCULE-3642964924 0.65 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCC(OC)=O)=O)C
MCULE-4830112196 0.65 COC(C1(CCOCC1)CNCC1CC(C)CCC1)=O
MCULE-5295220124 0.65 CCCC(C(OC1CC2[N+](C)(C)C(CC2)C1)=O)CCC.[Br-]
MCULE-6434256908 0.65 COC(C1(CCOCC1)CNC1CC(C)C(C)CC1)=O
MCULE-1885541390 0.65 N1C(C)(C)CC(CC1(C)C)OC(=O)CCN1CCCCC1
MCULE-1114273673 0.65 C12C(CCCN1)CCC(C2)OC(C)=O
MCULE-6703053277 0.65 OC(C1CCOCC1)CNC1CC2(CCCCC2)OCC1
MCULE-2549626175 0.65 CCOC1C2(CCOCC2)C(NCC(C(C)C)O)C1
MCULE-7811132359 0.65 OC(CCN1CC2C(COC2)CC1)=O
MCULE-8553920814 0.65 C12CCCNC1CCCC2OC(C)=O
MCULE-8946246539 0.65 CN1C2CC(OC(C)=O)CC1CC2
MCULE-3539388690 0.65 CC(C(O)=O)CN1CC2C(COC2)CC1
MCULE-7207178463 0.65 C1(CCOC)(CCCN(CC=CC(C)C)C1)C(OCC)=O
MCULE-3323848720 0.65 [C@]12([H])CCCN1CC[C@H]2COC([C@](O)(C(C)C)[C@H](O)C)=O
MCULE-7077026909 0.65 [N+]12(CCCCCCCCCC[N+]34CCCC3CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C4)CCCC1CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C2
MCULE-1356207351 0.65 C12(CC3CC(CC(C3)C1)C2)CC(OCC(O)CN1CCC(CC1)CO)=O
MCULE-7241648508 0.65 Cl.C12(OCC(O)CN3CCC(CC3)C(OCC)=O)CC3CC(CC(C3)C1)C2
MCULE-8400765617 0.65 C1N2CCC(COC(C(O)(C(O)C)C(C)C)=O)C2([H])CC1
MCULE-1535366901 0.65 [N+]12(CCCCCCCCCC[N+]34CCC[C@@]3([H])[C@@H](CC4)COC(=O)[C@](O)(C(C)C)[C@@H](C)O)CCC[C@@]1([H])[C@@H](CC2)COC(=O)[C@](O)(C(C)C)[C@@H](C)O
MCULE-6319370704 0.65 [C@@](O)(C(C)C)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@]21[H]
MCULE-7114714357 0.65 C(O)(=O)C(NCCC(OCCCCCCCCCC)=O)CC(C)C
MCULE-8657635126 0.65 CC(OC(C1C2(CCC2)CNC1)=O)(C)C
MCULE-6132282241 0.65 CC(C(NCC1(C(C2CC2)OCC1)C)=O)O
MCULE-4219846419 0.65 C1(CNCC21CCC2)C(OCC)=O
MCULE-8701073487 0.65 CC(OC(C1C2NC(CC2)C1)=O)(C)C
MCULE-1119622970 0.65 C1(CCOC)(CCCN(C2CCOCC2)C1)C(O)=O
MCULE-7127507537 0.65 CCOC(C1C2NC(CC2)C1)=O
MCULE-2620426412 0.65 [I-].C12CCC(CCC1[N+]1(CCCC1)C)C2OC(C)=O
MCULE-9081165244 0.65 N1(C)CCCC1CC(OCCCC)=O
MCULE-7158820058 0.65 O(CC)C(CC12CCCN1CCC2)=O
MCULE-6548838117 0.65 [Cl-].C12CCC(CCC1[NH+]1CCCC1)C2OC(C)=O
MCULE-2973803904 0.65 C(C=CC1C=CC=CC=1)(=O)OC1CC2N(C)C(CC2)C1
MCULE-1946305982 0.65 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1=CC=CC=C1)C
MCULE-9222919355 0.65 Cl.N12CCCCC1C(CCC2)COC(=O)C=CC1C=CC=CC=1
MCULE-7150780432 0.65 CC1C2(C(CO)NCC2)COC1
MCULE-3848492732 0.65 C1C2(C3NCCC3)C1COC2
MCULE-6955140291 0.65 OCC(C1COCCC1)NC(C[C@H]1[C@H](O)CCC1)=O
MCULE-7654488355 0.65 OC1CC(C(O)=O)(CC2OCCC2)NC1
MCULE-5202801517 0.65 C(OCC)(=O)C1CCN(CC1)CC(O)COC1CCCCC1
MCULE-7412977673 0.65 C12(CC3CC(CC(C3)C1)C2)C(=O)OCC(O)CNC12CC3CC(CC(C3)C1)C2
MCULE-1568970848 0.65 Cl.COC(C1CC2(C(C(OC(C)(C)C)=O)CNC2)C1)=O
MCULE-5137292144 0.65 OC1(C(NC[C@@]23CCO[C@@H]2CCC3)=O)CC1
MCULE-7947480511 0.65 CCCC1C(C2NCCC2)(O)COC1
MCULE-4721821113 0.65 CCC1OCC(C2NCCC2)(O)C1
MCULE-3586994975 0.65 C1C[C@]2([H])[C@@H](CC)[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])[C@]3([H])CCN([C@]23[H])CC1
MCULE-1081692532 0.65 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)O)=O
MCULE-9400262843 0.65 CC1C(C)C(C2NCCC2)(O)CO1
MCULE-6634469430 0.65 CC(C1OCC(C2NCCC2)(O)C1)C
MCULE-2944221496 0.65 OC1(C2NCCC2)CC(C2CC2)OC1
MolPort-046-092-375 0.65 CC(O)C(=O)NCC1(C)CCOC1C1CC1
MolPort-027-058-583 0.65 CC(C)(C)OC(=O)C1CC2CCC1N2
MolPort-027-887-958 0.65 COCCC1(CCCN(C1)C1CCOCC1)C(O)=O
MolPort-046-508-317 0.65 Cl.CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O
MolPort-046-672-384 0.65 CCOC(=O)C1(CC1)C1CCCN1
MolPort-000-718-204 0.65 [Cl-].CC(=O)OC1C2CCC1C(CC2)[NH+]1CCCC1
MolPort-035-942-421 0.65 CCOC(=O)CC12CCCN1CCC2
MolPort-046-673-207 0.65 CC(C)(C)OC(=O)C1(CC1)C1CCCN1
MolPort-000-740-429 0.65 [I-].CC(=O)OC1C2CCC1C(CC2)[N+]1(C)CCCC1
MolPort-002-531-096 0.65 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CCO)CC4)[C@H]3C3OC123
MolPort-000-738-145 0.65 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)\C=C\C1=CC=CC=C1)CCC2
MolPort-035-681-744 0.65 CN1C2CC(OC(C)=O)C1CC(=O)C2
MolPort-030-082-589 0.65 CC(=O)O[C@@H]1C[C@]23C4[C@H](O)[C@@H]5C(O)C6(O)C2N2C[C@@H](CC46CC5=C)C3[C@@](C)(C1)C2
MolPort-046-654-017 0.65 COC1(CNCC(C1)C(=O)OC(C)(C)C)OC
MolPort-046-664-176 0.65 CCOC(=O)C1CNCC(C1)(OC)OC
MolPort-046-667-576 0.65 CCOC(=O)C12CC[C@@H](C1)NC2
MolPort-044-435-873 0.65 Cl.COC(=O)C1CC2(C1)CNCC2C(=O)OC(C)(C)C
MolPort-000-834-902 0.65 ClCCCCCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-654-923 0.65 CC(C)(C)OC(=O)C12CC[C@@H](C1)NC2
MolPort-001-942-318 0.65 OC(CNC12CC3CC(CC(C3)C1)C2)COC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-044-755-234 0.65 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)NC(C)=O
MolPort-039-052-539 0.65 CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2CCN3CCCC[C@H]1[C@H]23
MolPort-002-523-255 0.65 CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CNCCCO
MolPort-046-423-339 0.65 [Cl-].CC[NH+]1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34C5CC(=O)[C@@H]6C[C@]5(C(CC23)C14)[C@H](OC(C)=O)C6=C
MolPort-000-723-674 0.65 [Cl-].CC[NH+]1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34C5CC(=O)[C@H]6C[C@@]5([C@@H](CC23)[C@@H]14)[C@H](OC(C)=O)C6=C
MolPort-009-758-390 0.65 Cl.CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@@H]5CC(=O)[C@H]6C[C@@]5([C@@H](C[C@H]23)[C@@H]14)[C@H](OC(C)=O)C6=C
MolPort-009-758-372 0.65 Cl.CCN1C[C@]2(C)CC[C@H](OC(C)=O)C34[C@@H]5CC(=O)[C@H]6C[C@@]5(C(C[C@H]23)[C@H]14)[C@H](OC(C)=O)C6=C
MolPort-002-513-699 0.65 CC(C)CNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-689 0.65 COCCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-531-316 0.64 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN1CCCC1=O
MolPort-009-758-303 0.64 OC(=O)C(O)=O.CCCCN(CCCC)CCCNCC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-134-248 0.64 Cl.CC(=O)OC1CCC2CCCNC2C1
MolPort-044-721-588 0.64 Cl.CC(=O)OC1CCCC2NCCCC12
MolPort-009-757-453 0.64 [I-].CC(=O)O[C@H]1C2CCCC1C(CC2)[N+]1(C)CCCCC1
MolPort-000-763-736 0.64 OC(=O)C([O-])=O.CCCC[NH+](CCCC)CCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-028-008-867 0.64 CC1CCC(CC1)N1CC(CC1=O)C(=O)OC1CCCCC1
MolPort-000-715-811 0.64 [Br-].[Br-].CC(C)C(O)(C(C)O)C(=O)OCC1CC2CCC[N+]2(CCCCCCCCCC[N+]23CCCC2CC(COC(=O)C(O)(C(C)C)C(C)O)C3)C1
MolPort-020-180-850 0.64 Cl.OCC1CCN(CC(O)COC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
MolPort-046-774-759 0.64 Cl.CCOC(=O)C1CNCC(O)C1O
MolPort-027-655-319 0.64 C=CCOC1CCN(CC1)C(=O)CCC1CCCO1
MolPort-005-287-196 0.64 Cl.CCOC(=O)C1CCCN(CC(O)COCC23CC4CC(CC(C4)C2)C3)C1
MolPort-046-153-862 0.64 CCC(C)[C@@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
MolPort-009-758-405 0.64 [Br-].[Br-].CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CC[N+]2(CCCCCCCCCC[N+]34CCC[C@H]3[C@H](COC(=O)[C@](O)(C(C)C)[C@@H](C)O)CC4)CCC[C@@H]12
MolPort-005-284-011 0.64 Cl.CCOC(=O)C1CCCN(CC(O)COC23CC4CC(CC(C4)C2)C3)C1
MolPort-002-518-190 0.64 CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3CC12O
MolPort-030-086-389 0.64 Cl.CCOC(=O)[C@H]1CC2CCC1N2
MolPort-027-947-333 0.64 Cl.CCOC(=O)[C@H]1C[C@H]2CC[C@@H]1N2
MolPort-002-517-331 0.64 CCOC(=O)C1CCCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-028-748-176 0.64 Cl.CCOC(=O)C1CC2CCC1N2
MolPort-046-793-093 0.64 CC(=C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1
MolPort-046-483-117 0.64 Cl.CC(C)(C)OC(=O)C1CNCC11CCC1
MolPort-046-420-262 0.64 Cl.CCOC(=O)C1CCNC11CCC1
MolPort-046-736-175 0.64 Cl.O=C1OCC[C@@H]2CNC[C@H]12
MolPort-046-668-946 0.64 CCOC(=O)C1(CCNC1)C1CCOCC1
MolPort-046-668-945 0.64 CC(C)(C)OC(=O)C1(CCNC1)C1CCOCC1
MolPort-046-666-272 0.64 CCOC(=O)CC1CC2(CCC2)CN1
MolPort-028-903-229 0.64 COC(=O)C1(C)CCN(C1)C1CCCCC1O
MolPort-046-659-914 0.64 CCOC(=O)C1CCNC1C(C)C
MolPort-046-659-070 0.64 CCOC(=O)C1CCNC1CC
MolPort-046-651-304 0.64 CCC1NCCC1C(=O)OC(C)(C)C
MolPort-046-650-781 0.64 CC(C)C1NCCC1C(=O)OC(C)(C)C
MolPort-046-654-333 0.64 CC(C)(C)OC(=O)CC1CC2(CCC2)CN1
MolPort-002-513-413 0.64 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN(C)C)[C@H]3[C@@H]3O[C@]123
MolPort-002-513-711 0.64 CCN(CC)CCNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-046-668-853 0.64 CC(C)(C)OC(=O)C1CNCC11CC1
MolPort-038-960-610 0.64 COCC(NC1C2CCOC2C11CCC1)C1CC1
MolPort-002-523-385 0.64 CN(C)CCNCC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-531-242 0.64 CCN(CC)CCNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-522-812 0.64 C[C@]12CCCC3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC2(CC1)OCCO2
MolPort-002-513-553 0.64 CN(C)CCNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-046-093-214 0.64 CCC1CC(CN2C[C@@H](O)C[C@H]2CO)CCO1
MolPort-035-881-578 0.64 CC(=O)OC1CCNC2CCCC12
MolPort-002-708-091 0.64 CC(=O)OC1CCNC2CCCCC12
MCULE-3815921741 0.64 CC(N1CC2C(COC2)CC1)CC(O)=O
MCULE-2414513136 0.64 Cl.C12C(CCCN1)CCC(C2)OC(C)=O
MCULE-6122570026 0.64 Cl.C12CCCNC1CCCC2OC(C)=O
MCULE-3364640325 0.64 C1C(C2OCC3(CNCC3)C2)C1
MCULE-6551276169 0.64 CC(C1OCC2(CNCC2)C1)C
MCULE-2682253312 0.64 CCCC1C2(CNCC2)COC1
MCULE-7249959580 0.64 CCC1OCC2(CNCC2)C1
MCULE-8027731875 0.64 CC1CCC(N2C(=O)CC(C(OC3CCCCC3)=O)C2)CC1
MCULE-7699157996 0.64 CC(C(C1CC1)NC(C1(C2OCCCC2)CCOCC1)=O)(O)C
MCULE-9900020708 0.64 [N+]12(CCCCCCCCCC[N+]34CCCC3CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C4)CCCC1CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C2.[Br-].[Br-]
MCULE-3300954238 0.64 C12(C)CCC(CC1OCC(O)CN1CCCC(C(OCC)=O)C1)C2(C)C
MCULE-3085437657 0.64 C=CCOC1CCN(C(CCC2OCCC2)=O)CC1
MCULE-6480908395 0.64 Cl[H].C12(CC3CC(CC(C3)C1)C2)CC(OCC(O)CN1CCC(CC1)CO)=O
MCULE-8711462705 0.64 [N+]12(CCCCCCCCCC[N+]34CCC[C@@]3([H])[C@@H](CC4)COC(=O)[C@](O)(C(C)C)[C@@H](C)O)CCC[C@@]1([H])[C@@H](CC2)COC(=O)[C@](O)(C(C)C)[C@@H](C)O.[Br-].[Br-]
MCULE-3331964777 0.64 Cl.C(C=CC1C=CC=CC=1)(=O)OC1CC2N(C)C(CC2)C1
MCULE-8952226805 0.64 Cl.CC(OC(C1C2(CCC2)CNC1)=O)(C)C
MCULE-3457805826 0.64 Cl.CCOC(C1C2NC(CC2)C1)=O
MCULE-6230116749 0.64 OC(C1C2(COCC2)CNC1)=O
MCULE-7484391791 0.64 CCOC(C12CCCN(C1)CC2)=O
MCULE-9172899940 0.64 CC(OC(C12CCCN(C1)CC2)=O)C
MCULE-7618856139 0.64 CC(OC(C12CCCN(C1)CC2)=O)(C)C
MCULE-9865156329 0.64 CC(C(O)=O)N1CC2C(COC2)CC1
MCULE-7712560036 0.64 CC1OCC(C2NCCC2)(O)CC1
MCULE-2209771028 0.64 CCOC(C1C2(CC2)CNC1)=O
MCULE-3876120526 0.64 COCC(C1CC1)NC1C2(CCC2)C2C1CCO2
MCULE-8681482885 0.64 C1(CCCCC1)(N1CCCC1)CC(OCC)=O
MCULE-6500280842 0.64 C(C(OCC)=O)C1(CCCCC1)NC1CC1
MCULE-1327553322 0.64 CC1OCC(C2NCCC2)(O)C1
MCULE-9308361862 0.64 COC(C1(CN(C2C(O)CCCC2)CC1)C)=O
MCULE-3452008971 0.64 CCC(C(=O)O)N1CC2(COCC2)CC1
MCULE-9792186428 0.64 CC(CCN1CC2C(COC2)CC1)=O
MCULE-9064518200 0.64 CC(C=O)(CN1CC2COCC2CC1)C
MCULE-4723407909 0.64 O=CCCN1CC2C(COC2)CC1
MCULE-3381841695 0.64 CCC1OCCC(CN2[C@H](CO)C[C@H](O)C2)C1
MCULE-9402103214 0.64 C1(CCNC2CCCCC12)OC(C)=O
MCULE-6995197965 0.64 CCC(C(OC)=O)NC1C(C)(C)C2C1CCO2
MCULE-6346137087 0.64 CC(COCCNC1C2(CCCC2)C2C1CCO2)=C
MCULE-9392685383 0.64 OC1(C(NC[C@@]23C4(CCC4)OC[C@@H]2C3)=O)CC1
MCULE-7115290773 0.64 Cl.C(OCC)(=O)C1CCN(CC1)CC(O)COC1CCCCC1
MCULE-9856738571 0.64 N1(C)C2CCC1CC(OC(=O)CCN1CCN(CC1)C)C2
MCULE-7084254338 0.64 [I-].C1CC2C(CCC[N+]2(C)CC1)COC(C(C)O)=O
MCULE-7208805851 0.64 COC([C@H]1[C@H](C2CCOCC2)CNC1)=O
MCULE-1896255498 0.64 COC(CC1CC2(CCOCC2)NC1)=O
MCULE-9149850444 0.64 C12CCC(CCC1N1CCCCC1)C2OC(C)=O
MCULE-9488238638 0.64 CCCC(C1CC1)NCC1(C(OC)=O)CCOCC1
MCULE-1633940397 0.64 C1(OC(=O)CCCCCCCCC(=O)OC2CC(N(C)C(C)(C)C2)(C)C)CC(N(C)C(C)(C)C1)(C)C
MCULE-6554743005 0.64 CCOC1C2(CCCC2)C(NC(CC(OC(C)(C)C)=O)C)C1
MCULE-3518322227 0.64 N1(C)C(C)(C)CC(OC(CCCCCCCCC(OC)=O)=O)CC1(C)C.C1(OC(=O)CCCCCCCCC(=O)OC2CC(N(C)C(C)(C)C2)(C)C)CC(N(C)C(C)(C)C1)(C)C
MCULE-4924103595 0.64 C12CCC(CCC1[N+]1(CCCCC1)C)C2OC(C)=O
MCULE-2323180639 0.64 CC(CC(C(=O)O)CNC1CCOCCC1)C
MCULE-7466349895 0.64 C1C(CC(OCC)=O)N(CCC(OCC)=O)CC1
MCULE-6837179834 0.64 N1(C)C(C)(C)CC(OC(CCCCCCCCC(OC)=O)=O)CC1(C)C
MCULE-5190044760 0.64 OC(C1CCOCC1)CNC([C@@]12CCO[C@@H]1CCC2)=O
MCULE-9337673042 0.64 C1(CCNC1C(O)=O)C(OCC)=O
MCULE-6332439518 0.64 Cl.C12(C(C)(C)C(CC1OCC(O)CN1CCCC(C(OCC)=O)C1)CC2)C
MCULE-3592998988 0.64 CN1C(C)(C)CC2(OC(=O)CC2)C1
MCULE-6596906213 0.64 CCCC1C2(CNCCC2)COC1
MCULE-6136079591 0.64 CC1C(C)C2(CNCCC2)CO1
MCULE-1094592889 0.64 CC1(N(CC2C3(COCC3)C2)CC(O)C1)CO
MCULE-3923704368 0.64 CC(C1C2(CNCCC2)COC1)C
MCULE-5171237918 0.64 C1C(C2OCC3(CNCCC3)C2)C1
MCULE-3042940234 0.64 CCC1OCC2(CNCCC2)C1
MCULE-9456832798 0.64 CCC1C2(CNCCC2)COC1
MCULE-2226044564 0.64 CC(COC1CCNCCC1)=C
MCULE-6686852608 0.64 CC(C1OCC2(CNCCC2)C1)C
MCULE-6063654235 0.64 CC1C2(COC(C)CC2)CNC1
MCULE-8678753443 0.64 C1OC2CCCC(NC3CCCCC3)C2C1
MCULE-9575012942 0.64 OC[C@H]1N(CC2C3(COCC3)C2)C[C@@H](O)C1
MolPort-002-510-536 0.64 C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCOCC3)[C@@H]2CCC1=C
MolPort-002-518-567 0.64 CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCC4=CCCCC4)[C@H]3CC12O
MolPort-000-917-844 0.64 CN1C2CCC1CC(C2)OC(=O)CCN1CCN(C)CC1
MolPort-039-227-857 0.64 CCC(NC1C2CCOC2C1(C)C)C(=O)OC
MolPort-002-315-103 0.64 Cl.CCOC(=O)C1CCN(CC(O)COC2CCCCC2)CC1
MolPort-029-929-486 0.64 CC(=C)COCCNC1C2CCOC2C11CCCC1
MolPort-002-531-494 0.64 CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCCCC1
MolPort-002-525-364 0.64 C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCC1=CCCCC1
MolPort-002-513-565 0.64 CC1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-009-758-508 0.64 OC(=O)C(O)=O.C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC(CC4)N4CCCCC4)[C@H]3C3OC123
MolPort-023-220-211 0.64 COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
MolPort-000-828-046 0.64 OC(=O)C(O)=O.CC(C)N(CCNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C(C)C
MolPort-020-536-526 0.64 CCOC(=O)CC(C)N1C2CCC1CC(O)C2
MolPort-001-942-585 0.64 CC(=O)OC1C2CCC1C(CC2)[N+]1(C)CCCCC1
MolPort-028-790-946 0.64 CCOC1CC(NC(C)CC(=O)OC(C)(C)C)C11CCCC1
MolPort-005-938-645 0.64 CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
MolPort-028-803-547 0.64 CCCC(NCC1(CCOCC1)C(=O)OC)C1CC1
MolPort-002-936-618 0.64 CC(=O)OC1C2CCC1C(CC2)N1CCCCC1
MolPort-046-420-044 0.64 CC(O)=O.C1CC2(CCCNCC2)O1
MolPort-044-755-188 0.64 CC(=O)N[C@]12C[C@H](CC[C@]1(C)[C@H]1CC[C@@]3(C)[C@@H](CCC3=O)[C@@H]1C[C@H]2O)OC(C)=O
MolPort-046-736-169 0.64 CCOC(=O)[C@@H]1CCN[C@@H]1C(O)=O
MolPort-027-912-620 0.64 C1CC2C(CCCC2NC2CCCCC2)O1
MolPort-005-287-519 0.64 Cl.CCOC(=O)C1CCCN(CC(O)COC2CC3CCC2(C)C3(C)C)C1
MolPort-035-944-415 0.64 CCOC(=O)C1CCNC1C(O)=O
MolPort-044-542-869 0.63 CCOC(=O)C(=C)CN1CCC(CC1)OCC1CCOC1
MolPort-001-833-678 0.63 CCOC(=O)C1(O)CN2CCC1CC2
MolPort-002-516-358 0.63 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(C)CC4)[C@H]3[C@@H]3O[C@]123
MolPort-002-532-677 0.63 CCN1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-516-359 0.63 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-046-746-065 0.63 CC(C)N1CCC(CN2C[C@@H]3COCC[C@@]3(C2)C(O)=O)CC1
MolPort-002-530-957 0.63 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CC4)C4CCCCC4)[C@H]3C3OC123
MolPort-030-005-512 0.63 Cl.OC(=O)C1CNCC11CCOC1
MolPort-046-741-397 0.63 C[C@]1(CCOC2(CCN(CCC(O)=O)CC2)[C@H]1O)NC(=O)C1CCOCC1
MolPort-002-510-503 0.63 CN1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-532-492 0.63 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)C1CCCCC1
MolPort-002-513-567 0.63 CCN1CCN(CC2[C@H]3CC4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-046-652-352 0.63 CCOC(=O)C1CCC(C)NC1C(C)C
MolPort-002-508-421 0.63 CCOC(=O)[C@H]1CCC[N+]2(C)CCCC[C@@H]12
MolPort-042-620-502 0.63 CC1CCC(C(C)N1)C(=O)OC(C)(C)C
MolPort-009-200-139 0.63 CCOC(=O)C1CCC2CCCCN2C1
MolPort-046-661-376 0.63 CC(C)C1CCC(C(C)N1)C(=O)OC(C)(C)C
MolPort-044-435-864 0.63 Cl.CCOC(=O)C1CNCC11CC1
MolPort-039-242-501 0.63 CCOC(=O)[C@@H]1CC[C@H](C)N[C@@H]1C
MolPort-046-652-348 0.63 CCOC(=O)C1CCC(NC1C)C(C)C
MolPort-046-654-631 0.63 CC1CC(C)C(C(C)N1)C(=O)OC(C)(C)C
MolPort-046-661-385 0.63 CC(C)C1NC(C)CCC1C(=O)OC(C)(C)C
MolPort-027-672-851 0.63 O=C(OC1CCCCCCC1)C1CN(C2CCCC2)C(=O)C1
MolPort-046-543-108 0.63 NC(=O)C1(CNC2CCOC22CCCC2)CCOCC1
MolPort-005-145-370 0.63 CCOC(=O)C1(CCOC2=CC=CC=C2)CCCN(CCO)C1
MolPort-046-743-931 0.63 OC[C@@]12CN(C[C@@H]1COCC2)C1CC2(C1)CCCCC2
MolPort-046-745-242 0.63 OC[C@@]12CN(C[C@@H]1COCC2)C1CCC2(CCNCC2)CC1
MolPort-039-239-881 0.63 Cl.OC1CNC(C1)C1CCCOC1
MolPort-007-980-941 0.63 CCN1C[C@]2(COC)CC[C@H](O)C34C5CC6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@](O)(CC23)C14
MolPort-002-744-209 0.63 CCOC(=O)C1CC2(CCN(C)CC2)N2CCCC12
MolPort-039-231-580 0.63 CCOC(=O)C1CCC(CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2
MolPort-005-953-066 0.63 COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]2[C@@H]1C
MolPort-002-513-469 0.63 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
MolPort-028-902-704 0.63 CC(C)(O)C1CCCN1CC1CCOC1
MCULE-2765980078 0.63 Cl.OC(C1C2(COCC2)CNC1)=O
MCULE-9258245668 0.63 [C@@]12(CCOC[C@H]1CN(CC1CCN(CC1)C(C)C)C2)C(O)=O
MCULE-7463368115 0.63 CCOC(C(CN1CCC(OCC2COCC2)CC1)=C)=O
MCULE-9530188328 0.63 C1(O)(C2CCN(CC2)C1)C(OCC)=O
MCULE-4824368564 0.63 OC(C(C1COCCC1)NC(CCC1OCCC1)=O)=O
MCULE-5181505741 0.63 OC(C(C1COCCC1)NC(CCC1OCCCC1)=O)=O
MCULE-6439850427 0.63 CC1OC(CCC(NC(C(=O)O)C2COCCC2)=O)CC1
MCULE-8280579817 0.63 [C@@]1(C)(CCOC2(CCN(CC2)CCC(O)=O)[C@H]1O)NC(C1CCOCC1)=O
MCULE-7314260214 0.63 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)C(OCC)=O)C
MCULE-9259875097 0.63 CCOC([C@H]1[C@@H](C)N[C@@H](C)CC1)=O
MCULE-6210401943 0.63 C1[C@@]2([H])N(CCCC2)C[C@@H](C(OCC)=O)C1
MCULE-5316876554 0.63 CCC(C(O)=O)N1CC2C(COC2)CC1
MCULE-7593202424 0.63 CCOC(C1C(C)NC(C)CC1C)=O
MCULE-3222630365 0.63 C[C@H]1N[C@@H](C)[C@@H](C(OC(C)(C)C)=O)CC1
MCULE-3637655657 0.63 CC1C(C2NCCC2)(O)COC1
MCULE-4468498987 0.63 Cl.CCOC(C1C2(CC2)CNC1)=O
MCULE-1482594405 0.63 C1C2N(CCCC2)CC(C(OCC)=O)C1
MCULE-2986488119 0.63 C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
MCULE-7033046587 0.63 NC(C1(CCOCC1)CNC1C2(CCCC2)OCC1)=O
MCULE-8240508145 0.63 O=C(C1CC(=O)N(C2CCCC2)C1)OC1CCCCCCC1
MCULE-4938833147 0.63 CC(C(C(OC(C)(C)C)=O)(C)C)NCCCC1(CCC1)O
MCULE-3725101580 0.63 CC(N1CC2C(COC2)CC1)CC(C)=O
MCULE-7653142764 0.63 N1(C2CCC3(CC2)CCNCC3)C[C@H]2[C@@](CCOC2)(CO)C1
MCULE-2942902772 0.63 C1(CCCN(CCO)C1)(CCOC1C=CC=CC=1)C(OCC)=O
MCULE-6168955209 0.63 N1(C[C@H]2[C@@](CCOC2)(CO)C1)C1CC2(C1)CCCCC2
MCULE-9285535526 0.63 CCOC(C1CCC(N[C@H]2[C@H]3O[C@H](CC3)C2)CC1)=O
MCULE-2601071144 0.63 OC(C1(C(NC2C3C(OCC3)CCC2)=O)CC1)=O
MCULE-7528676115 0.63 OC1(C(NC2C3(CCCC3)C3C2CCO3)=O)CC1
MCULE-5407088721 0.63 CC1(CC(C(NC[C@@]23C4(CCC4)OC[C@@H]2C3)=O)(O)C1)C
MCULE-6503571295 0.63 C1[C@@H]([C@H]([C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C1)C)C)NC(=O)CCOC
MCULE-3346045195 0.63 C12(O)CC3C4(C(O)CCC3(CN(CC)C41)COC)C1C3C(C(C1)C(OC)CC23O)OC(C)=O
MCULE-8692170586 0.63 CCOC(=O)C1C2CCCN2C2(CCN(C)CC2)C1
MCULE-3296384771 0.63 CC1C2(C(C)C(C)OC2)CNC1
MCULE-6540873881 0.63 CC(C1C2(C(C)CNC2)COC1)C
MCULE-9229188222 0.63 CC(C1N(CC2COCC2)CCC1)(O)C
MCULE-7949603702 0.63 CCC1C2(C(C)CNC2)COC1
MCULE-2371615533 0.63 COC(C(N1CC2C(COC2)CC1)C)=O
MCULE-7743010385 0.63 COC(C1C(C)(C)N2C(C1C(=O)OC)CCC2)=O
MCULE-8244262888 0.63 CCOC(C(C(NCC1OC(C)CC1)C)C)=O
MCULE-3535284849 0.63 COCC1(CCOCC1)CNC1C2(OCCC2)CCC1
MCULE-2200215319 0.63 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)CCBr
MCULE-5794257621 0.63 O=C(C12CNCC1C2)OC1CCC1
MCULE-6538183643 0.63 Cl.COC(CC1CC2(CCOCC2)NC1)=O
MCULE-6328173316 0.63 OC(C1CN(C2CC(C3CC3)OC2)C1)=O
MCULE-2465422297 0.63 COC([C@H]1[C@H](C2CCOCC2)CNC1)=O.Cl
MCULE-2491087218 0.63 O=C(C12CNCC1C2)OC1CCCC1
MCULE-2938802048 0.63 CC1(C(C(O)=O)CNC1)CC1OCCC1
MCULE-1653653200 0.63 OC[C@@]12NCC[C@@H]1C(=O)OC2
MCULE-5572908192 0.63 CC(OC(CC1(NC(CC2CC(=O)OC2)=O)CCCCC1)=O)(C)C
MCULE-8827822690 0.63 [C@@]12(CCOC[C@H]1CN(CC(C)(C)CN1CCOCC1)C2)C(O)=O
MCULE-7112383332 0.63 C(NC1C2(CCC2)C2C1CCO2)CC1CCOCC=1
MCULE-8016756063 0.63 OC(C1CCOCC1)CNC([C@@]12C3(CCC3)OC[C@@H]1C2)=O
MCULE-4484724321 0.63 C1(CCCC1)(N1CCCC1)CC(OCC)=O
MCULE-6233605191 0.63 OC(CC1NCC2(CCOCC2)C1)=O
MCULE-8765023118 0.63 N1C[C@H](CC)[C@@H](C(OCC)=O)C1
MCULE-3139297437 0.63 COCC(CNC1C2(CCCC2)[C@@H]2[C@H]1CCO2)(O)C
MCULE-6279302922 0.63 COC([C@H]1C[C@H](O)CNC1)=O
MCULE-7978627538 0.63 C12CCC(CCC1[N+]1(CCCCC1)C)C2OC(C)=O.[I-]
MCULE-5761572799 0.63 C12CCC(CCC1[NH+]1CCCCC1)C2OC(C)=O.[Cl-]
MCULE-2873357682 0.63 C(C(OCC)=O)C1(CCCC1)NC1CC1
MCULE-2503363974 0.63 OC(CN1CC2C(COC2)CC1)=O
MCULE-1099426232 0.63 CCCOC1CCN(C(C(=O)O)C)CCC1
MCULE-8962874525 0.63 C1(O)CC(C(=O)OC)CNC1
MCULE-9854368608 0.63 C1CC2C(CCC[N+]2(C)CC1)COC(=O)CCN1C(=O)CCC1=O
MCULE-2179458098 0.63 CCCN(CCCOC(C1CCCC=1)=O)CCC
MCULE-5745558790 0.63 C1(=O)OCC2NCCCC12
MCULE-9902963385 0.63 OC1CC(C(OC2COC2)=O)CNC1
MCULE-8762664072 0.63 [C@@]12([H])[C@H](O)CCN1(=O)CC=C2COC(/C(=C\C)/C)=O
MCULE-5103578137 0.63 C1C2(C3NCCCCC3)C1COC2
MCULE-9705168723 0.63 OCC1(NCC(O)C1)CC1COCC1
MCULE-2817906889 0.63 CC(OC(CCN1CC(O)CCC1)=O)C
MCULE-7611623453 0.63 C(N1CC2(CCOCC2)COCC1)C1OC2(CCCCC2)CC1
MCULE-5545760396 0.63 C12(CC3CC(CC(C3)C1)C2)C(=O)OCC(O)CN1CCCCC1
MCULE-6184193987 0.63 CC1(C2C(CCO2)C1NC(C1(CC1)O)=O)C
MCULE-6838419999 0.63 CCN1C(=O)CC(COC(C2CCCCCC=2)=O)C1
MolPort-046-674-722 0.63 CC(=O)CC1(CCNC1)C(=O)OC(C)(C)C
MolPort-046-674-730 0.63 COC(=O)C1CNCCC11CCOC1
MolPort-046-676-744 0.63 CCOC(=O)C1CCNC11CCOCC1
MolPort-028-953-936 0.63 C(CC1=CCOCC1)NC1C2CCOC2C11CCC1
MolPort-044-531-948 0.63 CC(C)(C)OC(=O)CC1(CCCCC1)NC(=O)CC1COC(=O)C1
MolPort-046-677-281 0.63 CCOC(=O)C1(CC(C)=O)CCNC1
MolPort-002-744-212 0.63 COC(=O)C1C2CCCN2C(C)(C)C1C(=O)OC
MolPort-046-700-258 0.63 Cl.COC(=O)[C@@H]1CNC[C@H]1C1CCOCC1
MolPort-046-730-720 0.63 Cl.COC(=O)CC1CNC2(C1)CCOCC2
MolPort-039-287-843 0.63 CCOC(=O)C(C)C(C)NCC1CCC(C)O1
MolPort-002-512-462 0.63 BrCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-745-008 0.63 CC(C)(CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O)CN1CCOCC1
MolPort-009-757-563 0.63 [I-].CC(=O)O[C@H]1C2CCC1C(CC2)[N+]1(C)CCCCC1
MolPort-002-131-803 0.63 Cl.CC(=O)OC1C2CCC1C(CC2)N1CCCCC1
MolPort-021-782-859 0.63 COC(=O)C1CNCC(O)C1
MolPort-046-069-177 0.63 [I-].CC(=O)OC1C2CCC1C(CC2)[N+]1(C)CCCCC1
MolPort-000-729-284 0.63 [Cl-].CC(=O)OC1C2CCC1C(CC2)[NH+]1CCCCC1
MolPort-035-851-848 0.63 CCCN(CCC)CCCOC(=O)C1=CCCC1
MolPort-002-513-629 0.63 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN1CCCC1=O
MolPort-046-153-843 0.63 C\C=C(\C)C(=O)OCC1=CCN2(=O)CC[C@@H](O)[C@@H]12
MolPort-002-513-369 0.63 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCC1=CCCCC1
MolPort-046-778-898 0.63 O[C@@H]1C[C@H]2CN(C[C@H]3C[C@@H]4CC[C@H]3O4)C[C@H]2C1
MolPort-035-848-310 0.63 C(C1CCC2(CCCCC2)O1)N1CCOCC2(CCOCC2)C1
MolPort-046-148-725 0.63 Cl.C1CC23CNCC2(C1)COC3
MolPort-042-683-564 0.63 Cl.C1NCC23COCC12CCCC3
MolPort-029-937-867 0.63 CCN1CC(COC(=O)C2=CCCCCC2)CC1=O
MolPort-002-548-858 0.63 OC(COC(=O)C12CC3CC(CC(C3)C1)C2)CN1CCCCC1
MolPort-027-898-894 0.63 CC(C)OC(=O)CCN1CCCC(O)C1
MolPort-046-654-334 0.63 CC(C)(C)OC(=O)C1CNC2CCCCC2C1
MolPort-046-597-130 0.63 C[C@]12CCC3C(CC[C@H]4CC(CC[C@]34C)OC(=O)CCN3CCCCC3)C1CCC2=O
MolPort-009-757-389 0.63 [I-].CCOC(=O)[C@H]1CCC[N+]2(C)CCCC[C@@H]12
MolPort-000-731-614 0.63 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1CC(=O)OC11CCCCC1
MolPort-046-195-734 0.63 CC(O)=O.CCOC(=O)[C@H]1CNC[C@H]2CCCC[C@@H]12
MolPort-046-596-578 0.63 CC1CC(C)CN(CCC(=O)OC2CCC3C4CCC5CC(=O)CC[C@]5(C)C4CC[C@]23C)C1
MolPort-046-596-454 0.63 C[C@]12CCC3C(CC[C@H]4CC(CC[C@]34C)OC(=O)CCN3CCCC(C)(C)C3)C1CCC2=O
MolPort-007-980-912 0.63 CC1CC[C@@H]2N(C1)CC1[C@@H]3C[C@H]4C(CC(=O)[C@H]5CC(CCC45C)OC(C)=O)[C@@H]3CCC1[C@]2(C)O
MolPort-046-677-091 0.63 CCOC(=O)[C@]12CCCC[C@@H]1NCCC2
MolPort-046-651-720 0.63 CCOC(=O)C1CC2CCC1NC2
MolPort-027-865-236 0.63 COCCC1(CCCN(CC2CCOCC2)C1)C(O)=O
MolPort-038-991-950 0.63 COCCC1(CC1)C(=O)N1C[C@@H]2CCC[C@]2(C1)C(=O)OC(C)(C)C
MolPort-042-604-658 0.63 Cl.C[C@@H]1CC[C@@H]([C@H](C)N1)C(=O)OC(C)(C)C
MolPort-000-712-097 0.63 [I-].CCOC(=O)[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-510-387 0.63 C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](CC[C@]45C)OC(C)=O)[C@@H]3CC[C@H]1[C@]2(C)O
MolPort-002-516-968 0.63 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
MolPort-044-600-263 0.63 Cl.CCOC(=O)C1C(C)CC(C)NC1C
MolPort-020-018-196 0.63 O=C(OC1CC2CCC1C2)C1CN(C2CCCC2)C(=O)C1
MolPort-002-507-451 0.63 C[C@H]1CC[C@@H]2N(C1)CC1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(CC[C@]45C)OC(C)=O)[C@@H]3CCC1[C@]2(C)O
MolPort-046-663-010 0.63 CCOC(=O)C12CCC(CC1)NC2
MolPort-002-529-447 0.63 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)CCN3CCCC(C)(C)C3)[C@@H]1CCC2=O
MolPort-038-353-317 0.63 CCOC(=O)C1CNC2CCCCC2C1
MolPort-002-516-245 0.63 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC5(CC4)OCCO5)[C@H]3[C@@H]3O[C@]123
MolPort-002-516-445 0.62 CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
MolPort-003-719-610 0.62 CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-039-015-524 0.62 OC(=O)C(O)=O.C1CC2(CN1)CCCOC2.C1CC2(CN1)CCCOC2
MolPort-028-795-757 0.62 CCOC1CC(NC(C)CC(=O)OC)C11CCCC1
MolPort-002-516-273 0.62 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCC4=CCCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-002-523-410 0.62 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC2(CC1)OCCO2
MolPort-046-598-101 0.62 CCCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-039-186-715 0.62 CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)CC1COC(=O)C1
MolPort-039-446-839 0.62 OC1C(CNC2[C@H]3CCO[C@H]3C22CCCC2)CCC11CCOCC1
MolPort-039-794-862 0.62 COCC1(CCOCC1)C(=O)NC1CCCC2OCCC12
MolPort-002-723-642 0.62 COCCN1CCC(OC(C)=O)C(C)C1C
MolPort-002-524-540 0.62 CN(CC1OCCO1)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-832-080 0.62 OC(=O)C(O)=O.C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN1CCCC1=O
MolPort-002-522-847 0.62 CCCC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-002-703-404 0.62 CC1(C)CC(CC(C)(C)N1)OC(=O)CCC(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-151-127 0.62 CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-010-969-351 0.62 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN(O)CC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-044-605-380 0.62 Cl.CC(NCCCC1(O)CCC1)C(C)(C)C(=O)OC(C)(C)C
MolPort-039-169-789 0.62 CC(C)(O)CN1CCCC1C1COCCC1(C)O
MolPort-044-447-009 0.62 OC1(CCCC1)C(=O)N1CCC2(C1)CCCOC2
MolPort-002-516-411 0.62 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC2(CC1)OCCO2
MolPort-002-745-794 0.62 COC(=O)C1C2CCCN2C2(CCCCC2)C1C(=O)OC
MolPort-028-908-755 0.62 C(CC1=CCOCC1)NC1C2CCOC2C11CCCC1
MolPort-046-674-164 0.62 Cl.OC[C@]12COC(=O)[C@H]1CCN2
MolPort-028-301-139 0.62 CC(C)(C)NC(=O)CCN1CC2C3CCC(O3)C2C1
MolPort-038-973-146 0.62 CCOC(=O)C1(CCN(CC(O)C(F)(F)F)C1)C(C)C
MolPort-042-623-839 0.62 CC(C)(C)OC(=O)C1(O)CCCNC1
MolPort-020-168-359 0.62 C1CC2OC1C1CNCC21
MolPort-042-841-766 0.62 C(CN1CCCC2(CCOC2)C1)C1CCCO1
MolPort-035-881-156 0.62 CCC(=O)OC1CC(C)N(C)CC1C
MolPort-019-796-032 0.62 C1C[C@@H]2O[C@H]1[C@H]1CNC[C@@H]21
MolPort-003-873-355 0.62 CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23
MolPort-035-705-684 0.62 CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23
MolPort-039-338-825 0.62 CCC1C2OC(=O)C(C)C2C2CC(C3CC(C)C(=O)O3)N3CCCCC1C23
MolPort-020-099-185 0.62 O=C(OCC1CCCCC1)C1CN(CC2CC2)C(=O)C1
MolPort-028-799-765 0.62 CCCCNC(C1CCCOC1)C(=O)OCC
MolPort-046-677-671 0.62 C[C@@H]1CC[C@@H](CN1)C(=O)OC(C)(C)C
MolPort-039-242-014 0.62 CC1CCC(CN1)C(=O)OC(C)(C)C
MolPort-010-439-843 0.62 CCOC(=O)C1CCCN(CC2CCCCC2)C1
MolPort-046-673-534 0.62 CCOC(=O)[C@@H]1CNC[C@@H](C1)C(C)(C)C
MolPort-016-585-592 0.62 CCOC(=O)C1CCCN(C1)C1C2CC3CC(C2)CC1C3
MolPort-044-583-032 0.62 CCCOC1CCCN(CC1)C(CC)C(O)=O
MolPort-046-676-868 0.62 CCOC(=O)[C@@H]1CC[C@H](C)NC1
MolPort-046-419-822 0.62 Cl.OC(=O)CC1CC2(CN1)CCOCC2
MolPort-046-510-135 0.62 Cl.COC(=O)[C@@H]1CNC[C@@H](O)C1
MolPort-028-960-865 0.62 Cl.COC(=O)C1CNCC(O)C1
MolPort-030-030-358 0.62 CCOC(=O)CCCC(C)NC1CCCCCC1C(=O)OC
MolPort-046-672-782 0.62 CC(C)(C)OC(=O)[C@@H]1CNC[C@@H](C1)C(C)(C)C
MCULE-8731228912 0.62 CCOC1C2(CCC2)C(NCC(C(=O)O)(CC)CC)C1
MCULE-5714030496 0.62 CCCN(C1C2(CCCCC2)C(OCC)C1)CCC(=O)O
MCULE-9077232658 0.62 CCC(C(=O)O)(CNC(C1COCCC1)C)CC
MCULE-1309199640 0.62 CCC(C(=O)O)(CNC1CCOCCC1)CC
MCULE-1115573236 0.62 CC1C(=O)CCN(CC23COCC2C3)C1
MCULE-5403238568 0.62 CC1CCC(OC2CCN(CCC(=O)O)CC2)CC1
MCULE-5259997944 0.62 CCOC1C2(CCCCC2)C(N(CCC(=O)O)C)C1
MCULE-3993816378 0.62 O=C1CCN(CC23COCC2C3)CC1
MCULE-3644807893 0.62 CC(CC(C(=O)O)CNC(C1COCC1)C)C
MCULE-1558547494 0.62 CCC1OCCC(CNCC(C(=O)O)(CC)CC)C1
MCULE-4604080120 0.62 CCCN(C1C2(CCCC2)C(OCC)C1)CCC(=O)O
MCULE-7500488888 0.62 C1(CO)(CO)C2C1CN(C[C@H]1C[C@H]3O[C@@H]1CC3)C2
MCULE-8273018516 0.62 C1(CC(OC21CCCCC2)=O)C(=O)NCC(C)C
MCULE-4894857522 0.62 C1(CC(OC21CCCCC2)=O)C(=O)N(CCC)CCC
MCULE-8259705958 0.62 C1(CC(OC21CCCCC2)=O)C(=O)NC(C)CC
MCULE-4690548009 0.62 COC(CN1CC2C(COC2)CC1)=O
MCULE-4462855914 0.62 C1(CCCC1)(N1CCCC1)C(CN)C(OCC)=O
MCULE-7237795903 0.62 COCCC1(CCCCC1)CN1C2C(CCC(OC)C2)OCC1
MCULE-5767001644 0.62 CC(C(O)=O)CN1C2C(COC2)CCC1
MCULE-8493186228 0.62 N1C[C@H](C)[C@](CC(OC(C)(C)C)=O)(C(O)=O)C1
MCULE-5523946805 0.62 N1C[C@@H](C)[C@@](CC(OC(C)(C)C)=O)(C(O)=O)C1
MCULE-3871974740 0.62 CCCCOC(CCN1CC(C2CC2)OCC1)=O
MCULE-1450082233 0.62 O=C1CCN(C2CC(C3CC3)OC2)CC1
MCULE-5501061381 0.62 OC(CCN1C2C(COC2)CCC1)=O
MCULE-1078549973 0.62 [Cl-].[C@]12(C)CCC3C(CC[C@@]4([H])CC(=O)CC[C@]34C)C1CCC2OC(=O)CC[NH+]1CCCCC1
MCULE-7866228511 0.62 C1(CCCCC1)(N1CCCC1)C(CN)C(OCC)=O
MCULE-2017037197 0.62 COC(C1(C2CCOCC2)CNCC1)=O
MCULE-4831473174 0.62 CCOC(C1CN(CCOC)CCC1)=O
MCULE-5879442321 0.62 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(=O)CC[NH+]1CC(C)CC(C)C1.[Cl-]
MCULE-1696505637 0.62 O=C(O)[C@@]1([C@H](C)CNC1)CC(=O)OC(C)(C)C
MCULE-6437916284 0.62 CC(OC(C1CCCC=1)=O)CCN1C(=O)CCC1
MCULE-9232857952 0.62 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3[C@@]21OC(C3C[N+]1(CCCCC1)C)=O
MCULE-1568541661 0.62 [Br-].[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCCC
MCULE-7186612461 0.62 [I-].[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCC
MCULE-7107870397 0.62 CC(C1C2(CNCC2)COC1)C
MCULE-4978178053 0.62 CCC1C2(CNCC2)COC1
MCULE-1727980515 0.62 CC1C(C)C2(CNCC2)CO1
MCULE-7596517401 0.62 CC1OCC2(C(C)CNC2)C1
MCULE-8003184596 0.62 CCOC1C(C2NCCC2)C1
MCULE-9729146455 0.62 N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2
MCULE-6037363677 0.62 CC(C(C1CC1)NC([C@H]1[C@H](C2CC2)OCC1)=O)(O)C
MCULE-8673137679 0.62 OC(C(CN1C2C(COC2)CCC1)=C)=O
MCULE-1019754534 0.62 CC[C@H](NC([C@@]12CCO[C@@H]1CCC2)=O)CO
MCULE-2046233584 0.62 COC(C1N(CCC2OCCCC2)C2C(CCCC2)C1)=O
MCULE-1468733429 0.62 N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2.Cl.Cl
MCULE-9469181263 0.62 C[C@@H](CNC([C@@]12CCO[C@@H]1CCC2)=O)O
MCULE-4094836465 0.62 CCOC1C2(CCC2)C(NC(C(=O)O)C)C1
MCULE-6741726614 0.62 C1(C)C(CCN(CCOC)C1C)OC(C)=O.[H]Cl
MCULE-4963429359 0.62 OC[C@@H]1N(CC2C(=O)CCOC2)CCC1
MCULE-9027413595 0.62 CC1CCC(CN2C(C3C(O)(C)CCOC3)CCC2)(O)CC1
MCULE-3938102200 0.62 O=C(OCC)C1CCCNC1C
MCULE-6291260435 0.62 N1CCCCC(C(OCC)=O)C1
MCULE-8942533528 0.62 C1[C@@H](C(OCC)=O)[C@@H](C)NCC1
MCULE-9630026467 0.62 O=C(CC1CCCCN1)OCC
MCULE-9139983817 0.62 C(=O)(OC(C)(C)C)C1CCCNC1C
MCULE-3054970278 0.62 COCCN1C(=O)CC(C(OC2CC3C(CCCC3)CC2)=O)C1
MCULE-7328570845 0.62 CC1CCC(CN2C(C3C(O)CCOC3)CCC2)(O)CC1
MCULE-2181702262 0.62 OC(C1OCCCC1)C1NCCC1
MCULE-1309113360 0.62 C1(CCCN(C)C1C)C(OCC)=O
MCULE-7531255519 0.62 O=C(C[C@H]1CCCCN1)OCC
MCULE-5031648716 0.62 C1C[C@H](C(=O)OCC)[C@@H](C)NC1
MCULE-3023547812 0.62 CCOC(C1CN(CCC(C2CC2)=O)CCC1)=O
MCULE-6880736482 0.62 CCOC(C(C)C)CCNC1CC(C)C(C(OCC)=O)CC1
MCULE-8771804504 0.62 CCC1(C(OC(C)(C)C)=O)CNCCC1
MCULE-7812311441 0.62 CCOC([C@]1([C@](C)([H])NCCC1)[H])=O
MCULE-5324916280 0.62 CC1OCC(CNC2CC2)(O)CC1
MCULE-5756821953 0.62 C(O)(C(C)NCCC(OCCCCCCCCCC)=O)=O
MCULE-6903681119 0.62 [C@]12(C)CC[C@@H](C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(=O)CCN1CCCC(C)(C)C1
MCULE-6592810048 0.62 CCOC([C@]1(CNC[C@@]2([C@]1(CCCC2)[H])[H])[H])=O
MCULE-4129628327 0.62 Cl.C[C@H]1N[C@@H](C)[C@@H](C(OC(C)(C)C)=O)CC1
MCULE-9432103602 0.62 [I-].C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
MCULE-7433690758 0.62 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)C(OCC)=O)C
MCULE-4124053225 0.62 N12C[C@@H](C)CC[C@@]1([H])[C@@]([C@]1([H])CC[C@]3([H])[C@@]([H])(C[C@]4([C@@]3([H])CC([C@@]3([H])C[C@H](CC[C@]43C)OC(C)=O)=O)[H])[C@]1([H])C2)(C)O
MCULE-7490378965 0.62 C1(CCOC)(CCCN(CC2CCOCC2)C1)C(O)=O
MCULE-3077060387 0.62 Cl.CCOC(C1C(C)NC(C)CC1C)=O
MCULE-3846894044 0.62 [C@]12(C)CC[C@@H](C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(=O)CCN1CCCCC1
MCULE-2500534658 0.62 CCOC([C@]1(CNC[C@@]2([C@]1(CCCC2)[H])[H])[H])=O.CC(O)=O
MCULE-5268545859 0.62 O=C(C1CC(=O)N(C2CCCC2)C1)OC1C2CC(CC2)C1
MCULE-9689457240 0.62 N12C[C@@H](C)CC[C@@]1([H])[C@@](C1([H])CC[C@]3([H])[C@@]([H])(C[C@]4([C@@]3([H])CC([C@@]3([H])CC(CC[C@]43C)OC(C)=O)=O)[H])C1([H])C2)(C)O
MCULE-1632391478 0.62 [C@]12(C)CCC3C(CC[C@@]4([H])CC(=O)CC[C@]34C)C1CCC2OC(=O)CC[NH+]1CCCCC1
MCULE-1836988941 0.62 NC(C(O)=O)CN1CC2C(COC2)CC1
MCULE-3323030590 0.62 CC(O)=O.CCOC([C@@H]1[C@H]2[C@H](CCCC2)CNC1)=O
MCULE-2834527224 0.62 C1(CC(OC21CCCCC2)=O)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H]
MCULE-7749213713 0.62 COCCC1(C(N2C[C@@]3(C(OC(C)(C)C)=O)[C@@H](CCC3)C2)=O)CC1
MCULE-8582166761 0.62 CCOC([C@@H]1[C@H]2[C@H](CCCC2)CNC1)=O
MCULE-7111793765 0.62 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(=O)CC[NH+]1CC(C)CC(C)C1
MCULE-6853538068 0.62 N12CC(C)CCC1([H])C(C1([H])CCC3([H])C([H])(CC4(C3([H])CC(C3([H])CC(CCC43C)OC(C)=O)=O)[H])C1([H])C2)(C)O
MCULE-1520441700 0.62 C1(CN(O)CC2C3CC4C(CCCC4(CC3OC2=O)C)=C)C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-2744311581 0.62 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCCC
MCULE-2051482915 0.62 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCC
MCULE-8419801517 0.62 CC([C@@H]1[C@@H](CNC(CC2CC(=O)OC2)=O)CCO1)(C)C
MCULE-7601880415 0.62 N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2
MCULE-3555164552 0.62 OC(C=CCN1CC2C(COC2)CC1)=O
MCULE-3261459028 0.62 C1CC(OC2CCNCCC2)C=CC1
MCULE-2012375135 0.62 OC1(C(N2CC3(COCCC3)CC2)=O)CCCC1
MCULE-2781218490 0.62 N12CCOC(CCC(=O)OC(CC1(C)C)CC2(C)C)=O
MCULE-4690816441 0.62 OC(C1(C(NC2C3(CCC3)C3C2CCO3)=O)CC1)=O
MCULE-4563422431 0.62 COCC1(C(NC2C3C(OCC3)CCC2)=O)CCOCC1
MCULE-1336857661 0.62 C1(C)C(CCN(CCOC)C1C)OC(C)=O
MCULE-2939483963 0.62 N1C(C)(C)CC(CC1(C)C)OC(CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)=O
MCULE-6213306506 0.62 CC(CN1C(C2C(O)(C)CCOC2)CCC1)(O)C
MCULE-1147233628 0.62 N1C(C)(C)CC(CC1(C)C)OC(CCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)=O
MCULE-5854242098 0.62 CCOC1C2(CCCC2)C(NC(CC(OC)=O)C)C1
MCULE-9930520427 0.62 C1(OC(=O)CCCCCCCCCCCCCCCCC)CC(NC(C)(C)C1)(C)C
MCULE-5915067576 0.62 C1CC2(COC1)CCNC2.C1CC2(COC1)CCNC2.C(O)(C(O)=O)=O
MCULE-4781578532 0.62 N1C(C)(C)CC(CC1(C)C)OC(CCC(=O)OC1CC(C)(C)NC(C)(C)C1)=O
MCULE-7050191346 0.62 Cl.CC(C(C(OC(C)(C)C)=O)(C)C)NCCCC1(CCC1)O
MCULE-3097585380 0.62 C(NC1C2(CCCC2)C2C1CCO2)CC1CCOCC=1
MCULE-2505880600 0.62 OC[C@@]12NCC[C@@H]1C(=O)OC2.Cl
MCULE-7404928431 0.62 CCOC(C1(C(C)C)CN(CC(C(F)(F)F)O)CC1)=O
MCULE-9410436129 0.62 C(OCC)(=O)C1CCN(CC1)CC(O)COC1CCCC1
MCULE-5798469310 0.62 COC(C1C2(CCCCC2)N2C(C1C(=O)OC)CCC2)=O
MCULE-6118727348 0.62 CC(NC(CCN1CC2C(C3OC2CC3)C1)=O)(C)C
MCULE-9094674218 0.62 OC1(C(N2C[C@@H]3[C@@H](OCC3)CC2)=O)CC1
MCULE-4486722431 0.62 CCC1C(C2OCCCC2)CCN1
MCULE-1800541748 0.62 CCC1C(C2OCCCC2)CC(C)N1
MCULE-6305731182 0.62 O[C@@H]1CN(CCC2OCCCC2)CC1
MCULE-5040334976 0.62 CC(N1CC2COCC2CC1)(CO)C
MCULE-6974344802 0.62 OCCN1CC2C(COC2)CC1
MCULE-2601875271 0.62 C1[C@H]2[C@H]3[C@@H]([C@H](O2)C1)CNC3
MCULE-4249005004 0.62 [H][C@@]12[C@]3(O[C@@](CC3)([H])[C@]1([H])CNC2)[H]
MCULE-2232385685 0.62 CCC1C(C2OCCCC2)C(C)CN1
MCULE-5668455824 0.62 CC(C(N1CC2C(COC2)CC1)C)O
MCULE-3992481161 0.62 CC(CN1CC2C(COC2)CC1)O
MCULE-5753604592 0.62 C12CN(C)CC1C1OC2CC1
MCULE-7873350407 0.62 CC1C2(CNCCC2)COC1
MCULE-1221821432 0.62 CC[C@@H](CN1CC2C(COC2)CC1)O
MCULE-2352342403 0.62 CCC1OCCC(NC(CCOC)CO)C1
MCULE-6927337914 0.62 CCC(CN1CC2C(COC2)CC1)O
MCULE-3568630616 0.62 C12CNCC1C1OC2(C)CC1
MCULE-5053774274 0.62 OC1CN(CCC2OCCCC2)CC1
MCULE-9107058760 0.62 C12CCOC1CCCC2NCC
MCULE-3168407871 0.62 CC(CN1CC2COCC2CC1)(O)C
MCULE-7102756805 0.62 C[C@@H](CN1CC2C(COC2)CC1)O
MCULE-1935535624 0.62 CC1(OCCC(NCC(C2CCOCC2)O)C1)C
MCULE-1348832647 0.62 CC1OCC2(CNCC2)CC1
MCULE-6070605714 0.62 C(C1OCCC1)CN1CC2(COCC2)CCC1
MCULE-4268301545 0.62 CC1OCC2(CNCCC2)C1
MCULE-2171950717 0.62 CC(N1CC2C(COC2)CC1)CO
MCULE-5810180903 0.62 C1CC2C(CCC[N+]2(C)CC1)COC(=O)CCN1C(=O)CCC1=O.[I-]
MCULE-2226855694 0.62 CCCCNC(C(OCC)=O)C1COCCC1
MCULE-5540555546 0.62 O=C1CC2(CCC(=O)NC2)CO1
MCULE-7533199365 0.62 OC(C1CC1)CNC([C@@]12CCO[C@@H]1CCC2)=O
MCULE-9603375686 0.62 CCCC1C2(C(C(N)=O)CNC2)COC1
MCULE-2475168664 0.62 NC(C1C2(CC(C3CC3)OC2)CNC1)=O
MCULE-5430457180 0.62 CC(C1OCC2(C(C(N)=O)CNC2)C1)C
MCULE-3698049960 0.62 C1C[C@]2([H])[C@@H](CC)[C@]3([H])OC(=O)[C@@H](C)[C@]3([H])[C@@]3([H])C[C@@]([H])([C@]4([H])C[C@H](C)C(=O)O4)N([C@]23[H])CC1
MCULE-4995633237 0.62 O=C1O[C@]2([H])[C@]([C@@]3([C@]4([C@]([C@H]2CC)([H])CCCCN4[C@H]([C@H]2OC(=O)[C@@H](C)C2)C3)[H])[H])([H])[C@@H]1C
MCULE-6577670866 0.62 O=C(C1CC(=O)N(CC2CC2)C1)OCC1CCCCC1
MCULE-7490051875 0.62 CCC1OCC2(C(C(N)=O)CNC2)C1
MCULE-2234824021 0.62 C1C[C@]2([H])[C@@H](CC)[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])[C@]3([H])C[C@@]([H])([C@]4([H])C[C@H](C)C(=O)O4)N([C@]23[H])CC1
MCULE-4190733223 0.62 C1CC2C(CC)C3OC(=O)C(C)C3C3CC(C4CC(C)C(=O)O4)N(C23)CC1
MCULE-8953316036 0.62 Cl.COC([C@H]1C[C@H](O)CNC1)=O
MCULE-9903585063 0.62 Cl.C1(O)CC(C(=O)OC)CNC1
MCULE-2759148962 0.62 O1C2(CCNCC2)CCC(CC(OC)=O)C1
MCULE-5872636214 0.62 CCOC(CCCC(NC1C(C(OC)=O)CCCCC1)C)=O
MCULE-3332802558 0.62 N1(CCCC(C(OCC)=O)C1)C1C2CC3CC1CC(C3)C2
MCULE-3408754215 0.62 C(=O)(OC(C)(C)C)C1CCC(NC1)C
MCULE-6292579911 0.62 C1(CCC(NC1)C)C(OCC)=O
MCULE-8846897729 0.62 CCOC(C1CCC(NCC2COCCC2)CC1)=O
MCULE-4701069793 0.62 Cl.OC(CC1NCC2(CCOCC2)C1)=O
MCULE-5024934008 0.62 CC1(C(C(O)=O)CNC1)CC1COCC1
MCULE-9360987769 0.62 CCCOC1CCN(C(C(O)=O)CC)CCC1
MCULE-2957523268 0.62 CC1OCC(C2NCCCC2)(O)CC1
MCULE-7508239467 0.62 [H]Cl.N1C[C@H](CC)[C@@H](C(OCC)=O)C1
MCULE-7154892369 0.62 C1(CCCN(CC2CCCCC2)C1)C(OCC)=O
MCULE-6264169093 0.62 C1CC2C(CCCN2CC1)COC(CO)=O
MCULE-5418413858 0.62 N1(C[C@H]2[C@H](C[C@@H]([C@H](O)C2)O)C1)C(=O)C1CC(OC21CCCC2)=O
MCULE-4675725689 0.62 [C@@]12(CCOC[C@H]1CN(C1CCN(CC1)CC(C)C)C2)C(O)=O
MCULE-7871664993 0.62 CCOC1C2(CCOCC2)C(NC(C2(CC(C)(C)C2)O)=O)C1
MCULE-8944665314 0.62 C1(CCOC)(CCCN(CCOCC)C1)C(O)=O
MCULE-3363203291 0.62 Cl.C12(CC3CC(CC(C3)C1)C2)C(=O)OCC(O)CN1CCCCC1
MCULE-4199169468 0.62 C1(CCCCC1)(N1CCOCC1)CC(OCC)=O
MCULE-3168246878 0.62 C=CC(N1CC23CCCCC2(COC3)C1)=O
MCULE-9670823372 0.62 OCC1(NC(C23CC4CC(C2)(CC(C4)C3)O)=O)CCOCC1
MCULE-7784503418 0.62 CC(C(NC1C2(CCC2)C2C1CCO2)=O)C(=O)O
MCULE-8626372728 0.62 CCO[C@H]1C2(CCOCC2)[C@H](NC(C2(CCC2)O)=O)C1
MCULE-6606569565 0.62 C1(=O)OC2C(CC3C(C)(CCCC=3C)C2)C1CNCCC[NH+](CCCC)CCCC
MolPort-046-181-682 0.62 O[C@H]1C[C@@H]2CN(C[C@@H]2C[C@H]1O)C(=O)C1CC(=O)OC11CCCC1
MolPort-000-838-446 0.62 OC(=O)C(O)=O.CCN(CC)CCNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-020-180-832 0.62 Cl.OC(COC(=O)C12CC3CC(CC(C3)C1)C2)CN1CCCCC1
MolPort-044-598-065 0.62 CCO[C@@H]1C[C@@H](NC(=O)C2(O)CCC2)C11CCOCC1
MolPort-044-604-567 0.62 C=CC(=O)N1CC23COCC2(C1)CCCC3
MolPort-002-511-895 0.62 CC1CCCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)C1
MolPort-002-511-800 0.62 CC1=C2[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O
MolPort-027-874-768 0.62 CCOCCN1CCCC(CCOC)(C1)C(O)=O
MolPort-046-741-543 0.62 CC(C)CN1CCC(CC1)N1C[C@@H]2COCC[C@@]2(C1)C(O)=O
MolPort-002-511-837 0.62 CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)(C)C1
MolPort-002-511-941 0.62 CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC1
MolPort-046-743-869 0.62 OCC1(CO)C2CN(C[C@H]3C[C@@H]4CC[C@H]3O4)CC12
MolPort-016-560-364 0.62 CCOC(=O)C(C)CN1C2CCC1CC(O)C2
MolPort-041-742-450 0.62 CCOC1CC(N(C)CCC(O)=O)C11CCCCC1
MolPort-002-522-866 0.62 CN(CC1OCCO1)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-039-285-375 0.62 CC1CCC(CC1)OC1CCN(CCC(O)=O)CC1
MolPort-002-523-025 0.62 CCCCN(CCCC)CCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-001-994-803 0.62 CCCN(CCC)C(=O)C1CC(=O)OC11CCCCC1
MolPort-001-910-895 0.62 CC(C)CNC(=O)C1CC(=O)OC11CCCCC1
MolPort-001-535-924 0.62 CCC(C)NC(=O)C1CC(=O)OC11CCCCC1
MolPort-000-703-414 0.62 [I-].C[N+]12CCCC[C@H]1[C@@H](COC(=O)C1CC(=O)OC11CCCCC1)CCC2
MolPort-027-909-317 0.62 CC(CCN1CCCC1=O)OC(=O)C1=CCCC1
MolPort-038-963-797 0.62 COCCC1(CN2CCOC3CCC(CC23)OC)CCCCC1
MolPort-000-750-095 0.62 [Cl-].C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CCC2OC(=O)CC[NH+]1CCCCC1
MolPort-044-723-859 0.62 C[C@H]1CNC[C@@]1(CC(=O)OC(C)(C)C)C(O)=O
MolPort-002-522-406 0.62 CC1CCCN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)C1
MolPort-044-461-881 0.62 CCCCOC(=O)CCN1CCOC(C1)C1CC1
MolPort-002-523-455 0.62 C[C@@H]1CC[C@H]2C(C[N+]3(C)CCCCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-000-734-528 0.62 [Cl-].CC1CC(C)C[NH+](CCC(=O)OC2CCC3C4CCC5CC(=O)CCC5(C)C4CCC23C)C1
MolPort-005-909-689 0.62 C[C@@H]1CC[C@H]2C(CN3CCCC(C)(C)C3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-000-761-657 0.62 [I-].CCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-000-778-476 0.62 [Br-].CCCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-009-144-879 0.62 CCOC(=O)C1CCCN(CCOC)C1
MolPort-009-758-291 0.62 [I-].CCCC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-009-758-312 0.62 [Br-].CCCCC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-009-758-421 0.62 Cl.C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2OC(=O)CCN1CCCCC1
MolPort-009-758-448 0.62 Cl.CC1CC(C)CN(CCC(=O)OC2CC[C@H]3[C@@H]4CCC5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1
MolPort-002-520-905 0.62 CC1CCN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC1
MolPort-002-104-006 0.62 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CN1CCCCC1
MolPort-046-067-772 0.62 ClC12CC3CC(C1)C[C@](C3)(C2)C(=O)OC[C@H]1CCCN2CCCC[C@@H]12
MolPort-030-019-047 0.62 COC(=O)C1CC2CCCCC2N1CCC1CCCCO1
MolPort-046-598-031 0.62 C[N+]12CCCC[C@H]1[C@@H](COC(=O)[C@@]13CC4CC(CC(Cl)(C4)C1)C3)CCC2
MolPort-002-516-418 0.62 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3[C@@H]3O[C@]123
MolPort-022-908-256 0.62 C1COC(C1)C1CCNC1
MolPort-023-276-430 0.62 Cl.CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-042-620-941 0.62 CC(C)(C)OC(=O)CC1CCCCN1
MolPort-028-782-377 0.62 CCOC(CCNC1CCC(C(C)C1)C(=O)OCC)C(C)C
MolPort-009-197-848 0.62 CCOC(=O)CC1CCCCN1
MolPort-039-146-302 0.62 CC1CCC(O)(CN2CCCC2C2COCCC2O)CC1
MolPort-039-169-727 0.62 CC1CCC(O)(CN2CCCC2C2COCCC2(C)O)CC1
MolPort-039-241-631 0.62 CC1NCCCC1C(=O)OC(C)(C)C
MolPort-039-242-297 0.62 C[C@@H]1NCCC[C@@H]1C(=O)OC(C)(C)C
MolPort-002-531-899 0.62 CC(=O)N1CCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-014-682-240 0.62 CCC1(CCCNC1)C(=O)OC(C)(C)C
MolPort-035-836-031 0.62 COCCN1CC(CC1=O)C(=O)OC1CCC2CCCCC2C1
MolPort-042-652-412 0.62 CCOC(=O)[C@@H]1CCCN[C@@H]1C
MolPort-027-931-497 0.62 CCOC(=O)C1CCCN(CCC(=O)C2CC2)C1
MolPort-046-736-477 0.62 CC(C)(C)OC(=O)[C@]12COC[C@@H]1NCCC2
MolPort-046-751-177 0.62 OC1(CC1)C1CCN(CC1)C(=O)C1CC(=O)OC11CCCC1
MolPort-042-607-330 0.61 CCOC(=O)C1(CCOCC1)C(=O)N1CCOC2(CCCCC2)C1
MolPort-046-153-848 0.61 CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
MolPort-046-153-850 0.61 CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
MolPort-046-153-858 0.61 CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
MolPort-046-153-859 0.61 CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@H]12
MolPort-002-526-806 0.61 CC(C)[C@@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
MolPort-039-734-972 0.61 CC1(C)C(NCC2(CCOCC2)C(N)=O)[C@@H]2CCO[C@H]12
MolPort-030-018-868 0.61 CNC(=O)C(C)(C)CNC1C2CCOC2C11CCCC1
MolPort-000-742-220 0.61 ClCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-027-883-435 0.61 OC1CCCOC11CCN(CC(O)=O)CC1
MolPort-000-162-285 0.61 CN1C2CCC1CC(C2)OC(=O)CCCl
MolPort-005-288-487 0.61 Cl.CCOC(=O)C1CCN(CC(O)COC2CCCC2)CC1
MolPort-027-926-419 0.61 CCNC(=O)NC1CCC(CC1)OC(=O)C(C)=CC
MolPort-044-459-851 0.61 O=C1OC(CN2CCOCC3(CCCC3)C2)CC11CCC1
MolPort-000-826-083 0.61 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)\C=C\C(=O)C1=CC=CC=C1
MolPort-001-994-810 0.61 CC(C)N(C(C)C)C(=O)C1CC(=O)OC11CCCCC1
MolPort-002-741-769 0.61 CCNC(=O)C1CC(=O)OC11CCCC1
MolPort-030-008-319 0.61 C=CCOC1CCN(CC1)C(=O)C1CC2CCC1O2
MolPort-003-962-920 0.61 CC(C)(C)NC(=O)C1CC(=O)OC11CCCC1
MolPort-000-710-801 0.61 CCNC(=O)C1CC(=O)OC11CCCCC1
MolPort-001-994-800 0.61 CCN(CC)C(=O)C1CC(=O)OC11CCCCC1
MolPort-028-389-794 0.61 O=C(OC1CCCCC1)C1CN(C2CCCC2)C(=O)C1
MolPort-001-994-805 0.61 CC(C)(C)NC(=O)C1CC(=O)OC11CCCCC1
MolPort-027-861-827 0.61 COCCC1(CO)CCCN(CCC(O)=O)C1
MolPort-030-019-903 0.61 CC(NCC1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2
MolPort-029-922-319 0.61 CC1CCC(CC1C)NCC1(CCO)CCOC1
MolPort-028-955-001 0.61 CC1CCCC(NCC2(CCO)CCOC2)C1C
MolPort-002-523-461 0.61 CC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-002-532-364 0.61 CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC(CC1)N1CCCCC1
MolPort-002-509-003 0.61 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN(CCO)CC1=CC=CC=C1
MolPort-046-544-740 0.61 CC(C)OC1CCC(CC1)NC1CCOC11CCCC1
MolPort-046-495-292 0.61 [Na+].CC1(C)CCC(CNC2CCOC3(CC(C3)C([O-])=O)C2)CC1
MolPort-046-653-336 0.61 CC(C)(C)OC(=O)[C@]12C[C@H]1CNC2
MolPort-046-658-825 0.61 CCOC(=O)[C@]12C[C@H]1CNC2
MolPort-007-980-936 0.61 C[N+]12CCCCC1C(COC(=O)C(F)(F)F)CCC2
MolPort-035-942-526 0.61 CCOC(=O)C12CC1CNC2
MolPort-042-595-183 0.61 CC1CCC(CCC(=O)N(CCC(O)=O)C2CCOCC2)O1
MolPort-044-456-233 0.61 COCC1(CCOCC1)C(=O)N[C@@H]1CCCCC[C@H]1O
MolPort-016-614-102 0.61 COC(=O)[C@H]1C[C@@H](O)CCN1CC1CCOCC1
MolPort-039-232-211 0.61 CC1(C)C(NC(=O)C2(CC2)C(O)=O)C2CCOC12
MolPort-035-834-416 0.61 COCCN1CC(CC1=O)C(=O)OC1CC(C)(C)CC(C)=C1
MolPort-045-956-794 0.61 CCCCCCNC(=O)C1CC(=O)OC11CCCC1
MolPort-001-994-806 0.61 CCCCCNC(=O)C1CC(=O)OC11CCCCC1
MolPort-001-994-802 0.61 O=C(NC1CCCCC1)C1CC(=O)OC11CCCCC1
MolPort-001-910-894 0.61 CC(C)CCNC(=O)C1CC(=O)OC11CCCCC1
MolPort-002-717-221 0.61 CCCCN(CCCC)C(=O)C1CC(=O)OC11CCCCC1
MolPort-000-758-932 0.61 [I-].C[C@@H]1CCC2C(C[N+]3(C)CCCCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CCC12
MolPort-002-718-207 0.61 CCCOC(=O)CCCCCCCCC(O)CN1CCCCC1
MolPort-021-656-577 0.61 COCC(O)CNC1C2CCCOC2C1(C)C
MolPort-009-758-308 0.61 [I-].C[C@@H]1CC[C@H]2C(C[N+]3(C)CCCCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-027-896-929 0.61 COC(=O)CCCN1CC(O)CC1C1CCCCC1
MCULE-4597368030 0.61 CC(C(CNC([C@@]12C3(CCC3)OC[C@@H]1C2)=O)O)C
MCULE-9125986029 0.61 CCOC([C@@]12CCCC[C@@H]1NC(=O)C2)=O
MCULE-1457508892 0.61 CC(C=C)(OC(CCN1C(=O)CCC1)=O)CC1C2CC(CC2)C1
MCULE-3033579678 0.61 CCOC(CC1(N(C(C2COCC2)=O)C)CCCCC1)=O
MCULE-8193998066 0.61 COC(C1C(C(N2CC3C(C4OC3CC4)C2)=O)C1)=O
MCULE-7360704915 0.61 COCCC(C(=O)O)NC(CCC1OCCCC1)=O
MCULE-7897571143 0.61 CCOCCC1(C(NC(C(=O)O)CCOC)=O)CCCC1
MCULE-1420361583 0.61 CC1(C2C(COCC(CN3CC(O)CCC3)O)=CCC1C2)C
MCULE-1785033668 0.61 OC(CC1(NC(CCC2OCCCC2)=O)COCC1)=O
MCULE-5921654937 0.61 CCC1OCC2(C(C(O)=O)NC(=O)C2)C1
MCULE-9168847239 0.61 CCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@]2([H])N(CC[C@H]2O)C1
MCULE-2974917831 0.61 C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
MCULE-3316034816 0.61 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CC.[I-]
MCULE-6233325068 0.61 OC(C(C1COCCC1)NC(C1C2OC(CC2)C1)=O)=O
MCULE-1583270129 0.61 CC1OCC2(C(C(O)=O)NC(=O)C2)CC1
MCULE-4583997797 0.61 COC([C@@]12CCOC[C@@H]1CN(CC1OC=CCC1)C2)=O
MCULE-8509255158 0.61 [C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2CO
MCULE-8974256501 0.61 COC(C[C@H](NC(CC1CCOCC1)C)C)=O
MCULE-8415976950 0.61 CC1C(CNC2C(C)(C)C3C2CCO3)CCCC1
MCULE-1373287985 0.61 OC(CCN1CCC(OCC2CCCC2)CC1)=O
MCULE-3055053868 0.61 [C@@]12(O)CC[C@]3(C([H])(CN4[C@@]([H])(CC[C@@H](C)C4)[C@@H]3C)[C@]1([H])C[C@@]1([H])C2([H])CC(OC(C)=O)[C@@]2(C1(C)CCC(C2)OC(C)=O)[H])[H]
MCULE-7798645528 0.61 CCC(C(=O)O)(CNC1CC(C(C)C)OCC1)CC
MCULE-8505549563 0.61 C1CC2(C3C(CCO3)C2NC2CCCCC2)C1
MCULE-5587857049 0.61 COC(CCN1CCC(C2CCOCC2)CC1)=O
MCULE-8895651242 0.61 CC1(OC(C)(C)CC(NC2C3(CCC3)C3C2CCO3)C1)C
MCULE-1266951352 0.61 Cl.CCOC1C(CC)(CC)C(N(CCC(=O)O)C)C1
MCULE-4791812156 0.61 C1C23COCC2(CNC3)C1
MCULE-1499800054 0.61 [N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O
MCULE-5065848832 0.61 [C@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-1014292696 0.61 [C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-1481800775 0.61 [C@@]12([H])[C@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@@H](O)C)=O
MCULE-4986817328 0.61 [C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
MCULE-1834338412 0.61 [C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
MCULE-1287270109 0.61 CCOC(C1(C(N2CC3(CCCCC3)OCC2)=O)CCOCC1)=O
MCULE-3719067298 0.61 OC(CCCCC(NC1C2C(OCC2)CCC1)=O)=O
MCULE-1061960624 0.61 Cl.C(OCC)(=O)C1CCN(CC1)CC(O)COC1CCCC1
MCULE-4173529028 0.61 CNC(C(CNC1C2(CCCC2)C2C1CCO2)(C)C)=O
MCULE-1866694110 0.61 N1(C)C2CCC1CC(C2)OC(=O)CCCl
MCULE-5659947805 0.61 C12(C(CCCO1)O)CCN(CC2)CC(O)=O
MCULE-7143341547 0.61 CC1([C@@H]2[C@@H](CCO2)C1NCC1(C(N)=O)CCOCC1)C
MCULE-6402588622 0.61 OC(C1CCC(C(NC2C3C(OCC3)CCC2)=O)CC1)=O
MCULE-2497006932 0.61 OC(C1CCC(C(N2CC3(COCC3)CC2)=O)CC1)=O
MCULE-8173226883 0.61 COC(C1(C2(CNCC2)O)CCOCC1)=O
MCULE-5602836710 0.61 [Cl-].[N+]1([H])(C)C2CCC1CC(OC(=O)CCCl)C2
MCULE-6047924337 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCl)=O
MCULE-8086005742 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC(C1=CC=CC=C1)=O
MCULE-7188649632 0.61 O=C(C1CC(=O)N(C2CCCC2)C1)OC1CCCCC1
MCULE-7218221847 0.61 C1(CC(OC21CCCC2)=O)C(=O)NC(C)(C)C
MCULE-6343729268 0.61 C1(CC(OC21CCCCC2)=O)C(=O)N(CC)CC
MCULE-1784214054 0.61 O=C1C2(CCC2)CC(CN2CC3(CCCC3)COCC2)O1
MCULE-4967991431 0.61 COCCC(C(=O)O)NC(CCC1OCCC1)=O
MCULE-5927309345 0.61 COCCC(C(=O)O)NC(CCC1OC(C)CC1)=O
MCULE-5635367966 0.61 C(=O)(N(C(C)C)C(C)C)C1CC(OC21CCCCC2)=O
MCULE-1787625607 0.61 C=CCOC1CCN(C(C2C3OC(CC3)C2)=O)CC1
MCULE-6069169929 0.61 CC([C@H](NC([C@@]12C3(CCC3)OC[C@@H]1C2)=O)CO)C
MCULE-1758037736 0.61 CCNC(NC1CCC(OC(C(C)=CC)=O)CC1)=O
MCULE-6930262990 0.61 C1(CC(OC21CCCC2)=O)C(=O)N(CC)CC
MCULE-1910549332 0.61 C1C(=O)OC2(CCCC2)C1C(=O)NCC
MCULE-7348377064 0.61 C1(CC(OC21CCCCC2)=O)C(=O)NC(C)(C)C
MCULE-5382302643 0.61 C1(CC(OC21CCCCC2)=O)C(NCC)=O
MCULE-3406959330 0.61 CC1C(C)C(NCC2(COCC2)CCO)CCC1
MCULE-4666438740 0.61 CC(C12CC3CC(CC(C3)C1)C2)NCC1(COCC1)CCO
MCULE-4520673082 0.61 CC(C=C)OC1CCNCCC1
MCULE-6551369305 0.61 CC1C(C)CC(NCC2(COCC2)CCO)CC1
MCULE-5449413444 0.61 N1(CCCC(CCOC)(CO)C1)CCC(O)=O
MCULE-9456655767 0.61 [H]Cl.C1[C@]2([H])[C@@]([H])([C@@]3([H])O[C@]2([H])CC3)CN1
MCULE-5447056193 0.61 CC(C1(CCC1)O)NC1CC(C2CC2)OCC1
MCULE-1993300916 0.61 Cl.C12CNCC1C1OC2(C)CC1
MCULE-1539203317 0.61 OCC(CN1CC2C(COC2)CC1)O
MCULE-9094410650 0.61 CC(C(O)(C)C)NCC1(C2OCCCC2)CCC1
MCULE-6075161860 0.61 CCOC1C(CC)(CC)C(N(CCC(=O)O)C)C1
MCULE-5468788020 0.61 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CC
MCULE-8294418059 0.61 CC1OC(CCC(NC2(COCC2)CC(=O)O)=O)CC1
MCULE-9768846052 0.61 COCC(NC(C1C2OC(CC2)C1)=O)(CC(=O)O)C
MCULE-9391734087 0.61 OC(CC1CC2(CCOCC2)NC1)=O
MCULE-4622810339 0.61 CCC(C(=O)O)N1CCC(OC2CCC(C)CC2)CC1
MCULE-2942566151 0.61 C1CC2(C3C(COC3)NC2)C1
MCULE-8737209516 0.61 CC1C(C2NCCCCC2)(O)COC1
MCULE-7318403411 0.61 CCC1OCC(C2NCCCC2)(O)C1
MCULE-8025394440 0.61 CC1C(C)C(C2NCCCC2)(O)CO1
MCULE-7241494204 0.61 CC(OC(C12CNCC1C2)=O)C
MCULE-4491844037 0.61 COC(C1CC2(CCOCC2)NC1)=O
MCULE-2518217118 0.61 CCCC(C(=O)O)NC1C2(CCC2)C(OCC)C1
MCULE-1822575911 0.61 C(F)(F)(F)C(=O)OCC1CCC[N+]2(C)CCCCC21
MCULE-2889542924 0.61 [Na+].CC1(CCC(CNC2CC3(CC(C([O-])=O)C3)OCC2)CC1)C
MCULE-3418220939 0.61 C12(CNCC1C2)C(OCC)=O
MCULE-6600542055 0.61 CCC1C(C2NCCCC2)(O)COC1
MCULE-3534041226 0.61 CC(OC1CCC(NC2C3(CCCC3)OCC2)CC1)C
MCULE-9765054339 0.61 OC1CC(C(O)=O)(CC2COCC2)NC1
MCULE-3220605494 0.61 CC(C(C(NC1C2(CCC2)C2C1CCO2)=O)O)(O)C
MCULE-5039379924 0.61 OC1(C(NC[C@@]23CCO[C@@H]2CCC3)=O)COC1
MCULE-3494127351 0.61 CC1C2(CC(C3CC3)OC2)CNC1=O
MCULE-1188699722 0.61 CC(C1OCC2(C(C)C(=O)NC2)C1)C
MCULE-7296694310 0.61 CCC1OCC2(C(CC)NC(=O)C2)C1
MCULE-3689723140 0.61 CCC1C2(C(C)C(C)OC2)CC(=O)N1
MCULE-2799892262 0.61 CCC1C2(C(CC)NC(=O)C2)COC1
MCULE-5804553635 0.61 OC(C(N1CC2C(COC2)CC1)C=C)=O
MCULE-2090836188 0.61 CCCC1C2(C(C)C(=O)NC2)COC1
MCULE-4933745487 0.61 CCC1OCC2(C(C)C(=O)NC2C)C1
MCULE-4100066032 0.61 CC1OC(CCC(N2C(CO)(C)CC(O)C2)=O)CC1
MCULE-1605188429 0.61 CC1OC(CCC(N(C2CCOCC2)CCC(=O)O)=O)CC1
MCULE-3494929475 0.61 CC1(C2C(CCO2)C1NC(C1(C(O)=O)CC1)=O)C
MCULE-2814422436 0.61 CCC1OCC2(C(C)C(=O)NC2)C1
MCULE-2233031929 0.61 C1(CCCN(CCCCCC/C=C(\C)/C)C1)C(OCC)=O
MCULE-6425985237 0.61 COCC1(C(N[C@H]2[C@H](O)CCCCC2)=O)CCOCC1
MCULE-8913941281 0.61 OC[C@H]1N(C(C2COCC2)=O)[C@@H]2[C@@H](CCCC2)C1
MCULE-4764798784 0.61 COCCN1C(=O)CC(C(OC2C=C(C)CC(C)(C)C2)=O)C1
MCULE-5761978469 0.61 CC(OCCCC(NC(C(=O)O)C1COCCC1)=O)C
MCULE-3279468955 0.61 COCCCC(NC(C(=O)O)C1COCCC1)=O
MCULE-5780928334 0.61 C1(CC(OC21CCCC2)=O)C(NCCCCCC)=O
MCULE-1757000975 0.61 C1(CC(OC21CCCCC2)=O)C(=O)NC1CCCCC1
MCULE-5039133540 0.61 C1(CC(OC21CCCCC2)=O)C(NCCCCC)=O
MCULE-1234995259 0.61 COC(CCC(NC(C(=O)O)C1COCCC1)=O)C
MCULE-3708200090 0.61 C1(CC(OC21CCCCC2)=O)C(=O)N(CCCC)CCCC
MCULE-8082458763 0.61 CC1OCCC(C(NC(C(=O)O)C2COCCC2)=O)C1
MCULE-2395685288 0.61 C1(CC(OC21CCCCC2)=O)C(NCCC(C)C)=O
MCULE-5498862698 0.61 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3[C@@]21OC(C3C[N+]1(CCCCC1)C)=O.[I-]
MCULE-1844702222 0.61 CCCOC1CCN(CCCCC(=O)O)CCC1
MCULE-4984120135 0.61 COC(CCCN1C(C2CCCCC2)CC(O)C1)=O
MCULE-2414778785 0.61 CCOC1C2(CCC2)C(NCCC(C(=O)O)(C)C)C1
MCULE-5894103384 0.61 CCOC1C2(CCC2)C(NCC(C(=O)O)CC(C)C)C1
MCULE-2654396362 0.61 CC(CC(C(=O)O)CNC(C1COCCC1)C)C
MCULE-5416770140 0.61 CCC(C(=O)O)(CNC1CCC(OC2CCCC2)CC1)CC
MCULE-5705871193 0.61 N1(CCCCC1)CC(CCCCCCCCC(OCCC)=O)O
MCULE-7057631722 0.61 CCC(C(=O)O)(CNC1C2(CCOCC2)CCC1)CC
MCULE-7746421855 0.61 COCC(CNC1C(C)(C)C2C1CCCO2)O
MCULE-4582651084 0.61 CC=C(C(OC(CCN1C(=O)CCC1)C)=O)C
MCULE-4236143278 0.61 COC(C1C2NC(CC2)C1C(OC)=O)=O
MCULE-3982188550 0.61 CCOC(C1(CC(C)(C)N(C)C1)O)=O
MCULE-6995949343 0.61 O=C(C1(C2CC2)CCOCC1)NCCCOCC1CCOCC1
MCULE-5879242360 0.61 CCOC(CCCN1C2C(OC)C3CC2C(C3)C1)=O
MCULE-9007101472 0.61 C1(N2CCCC2)(CC2C(C)(C)C1(C)CC2)C(CN)C(OCC)=O
MCULE-3024990220 0.61 C12C3CCC(CC1O2)N3C(C)(C)C
MCULE-8705534841 0.61 Cl.COC(C1(C2CCOCC2)CNCC1)=O
MCULE-1717538207 0.61 OC(CCCCC(N1CC2(COCC2)CC1)=O)=O
MCULE-3321785995 0.61 CC(C(N[C@H]1[C@@H]2[C@@H](OCCC2)C1)=O)(O)C
MCULE-2772273482 0.61 CC(N1C2C(COC2)CCC1)CC(O)=O
MCULE-5435879591 0.61 OC(CC1(NC(CCC2OCCC2)=O)CCOCC1)=O
MCULE-1009804646 0.61 CC1OC(CCC(NC2(CCOCC2)CC(=O)O)=O)CC1
MCULE-5056429382 0.61 CC1OCC2(C(C(N)=O)CNC2)CC1
MCULE-9015308869 0.61 C12COCC1NCCC2C(O)=O
MCULE-4794323746 0.61 CC(C=C)(CC(NC1C2C(OCC2)CCC1)=O)O
MCULE-2676192545 0.61 O=C(C1CC(=O)N(CC2CC2)C1)OC1CCCCC1
MCULE-3828636940 0.61 OCC1(N(C(CC2OCC3(CCOCC3)CC2)=O)CCC1)CO
MCULE-8599273844 0.61 Cl.Cl.N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2
MCULE-7600842263 0.61 CC(CC(NC([C@@]12CCO[C@@H]1CCC2)=O)CO)(C)C
MCULE-1191331849 0.61 OC1(C(N2CC3C(C4OC3CC4)C2)=O)CCOCC1
MCULE-1156496490 0.61 [C@@](O)(C(C)C)([C@@H](C)OC)C(=O)OCC1=CCN2CC[C@H](O)[C@]21[H]
MCULE-9827030814 0.61 C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
MCULE-1990314969 0.61 [N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O.[I-]
MCULE-8318618542 0.61 C1(O)CCN2C1([H])C(COC(C(C(OC)C)(C(C)C)O)=O)=CC2
MCULE-9372385729 0.61 [C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@H](OC)C)=O
MCULE-6984575106 0.61 C(O)(C(C)C)(C(C)OC)C(=O)OCC1=CCN2CCC(O)[C@]21[H]
MCULE-8261441210 0.61 [C@@]12([H])[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC
MCULE-7538675030 0.61 OC[C@H]1N(C([C@H]2[C@H](C=C)OCC2)=O)[C@H](CO)CC1
MCULE-3301644864 0.61 C12C3C(C)(CCC(C)(C(=O)OCC4CCCN5CCCCC54)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
MCULE-6398852124 0.61 COC1CC(OC(C2CC(=O)N(C3CCC(C)CC3)C2)=O)CCC1
MCULE-6901131262 0.61 CC1C(C2OCCCC2)C(C)NC1
MCULE-7129516085 0.61 C12(CCCNC1)CCOC2(C)C
MCULE-2967723194 0.61 C1OCC2(CNCCC2)C1
MCULE-6256462440 0.61 C1NCC2(COCCC2)C1
MCULE-8332983933 0.61 C1O[C@@H]2[C@@H](CNCCC2)C1
MCULE-7932950265 0.61 OCCCC1N(CC2COCCC2)CCC1
MCULE-9796456644 0.61 OCC1N(CC2COCC2)CC(O)C1
MCULE-6742432264 0.61 COC1CCC(NC[C@@H]2[C@@H](C(C)(C)C)OCC2)CC1
MCULE-5897477790 0.61 CC(NC[C@@H]1[C@@H](C(C)(C)C)OCC1)CC1CCOCC1
MCULE-6399208290 0.61 CC[C@H](CN1C(CCOC(C)C)CCCC1)O
MCULE-9974391643 0.61 CCOC1C(C2NCCCCC2)C1
MCULE-3577622349 0.61 COC1CCC(NC[C@@H]2[C@@H](C(C)C)OCC2)CC1
MCULE-9975176554 0.61 C(C1C2(CC2)C1)NC1CCOCCC1
MCULE-5710519013 0.61 CC([C@@H]1[C@@H](CNC(CC2CCOCC2)C)CCO1)C
MCULE-8133469298 0.61 CC1NC(C)C(C2OCCCC2)C1
MCULE-4071875220 0.61 CC1NCC(C2OCCCC2)C1
MCULE-1973065008 0.61 O1C(C)CC2CNCCC12
MCULE-3561137523 0.61 CC1C(C2OCCCC2)CNC1
MCULE-7443501208 0.61 C12(CCCO1)CCCNCC2
MCULE-1516274786 0.61 CC1C(C2OCCCC2)C(C)(C)NC1
MCULE-1889187020 0.61 CC1(C[C@@H]2[C@@H](CCO2)CNC1)C
MCULE-9808803299 0.61 CCCC(CNC(C1COCCC1)C)O
MCULE-5096930636 0.61 CC(C(O)(C)C)NCCC1OCCCC1
MCULE-6464939477 0.61 NC(CCN1CC2C(COC2)CC1)=O
MCULE-4113586564 0.61 [C@@H]1(NC(CO)CO)[C@@H]2CCO[C@@H]2[C@@H]1COC
MCULE-6093414973 0.61 O=C1CN(CC23COCC2C3)CC1
MCULE-4744656071 0.61 N1CCCCC(C(OCC)=O)C1.[H]Cl
MCULE-6460471897 0.61 CCCN(C1C2(CCCC2)C(OCC)C1)CC(=O)O
MCULE-5271775770 0.61 CCC1OCCC(CNCC2(COCC2)O)C1
MCULE-4264613154 0.61 Cl.C1[C@@H](C(OCC)=O)[C@@H](C)NCC1
MCULE-4579312348 0.61 C1(CCCC1)(N1CCCCC1)CC(OCC)=O
MCULE-9060891310 0.61 CC1OCC(C2NCCC(C)C2)(O)C1
MCULE-8408340444 0.61 CC1OCC(C2NCCCC2)(O)C1
MCULE-8558889964 0.61 CC1OCC(C2NCCCCC2)(O)C1
MCULE-4790885787 0.61 CCCN(C1C2(CCCCC2)C(OCC)C1)CC(=O)O
MCULE-9516394986 0.61 COC(C1(CCCCC1)CNC1CC(C)OC(C)C1)=O
MCULE-3468218069 0.61 Cl.CCOC(CC1NCCCC1)=O
MCULE-8108437266 0.61 CC1C(C(OC2CCC2)=O)CNCC1
MCULE-2393720262 0.61 N1(C[C@H]2[C@@](CCOC2)(CO)C1)C1CC(C)(C)NC(C)(C)C1
MCULE-5415231424 0.61 C1(CNCC1C1CC1)C(OC)=O
MCULE-1021454962 0.61 Cl.O=C(C[C@H]1CCCCN1)OCC
MCULE-8252109692 0.61 CC(C(=O)O)N1CCC(OC2CCC(C)CC2)CC1
MCULE-5572651048 0.61 C1C[C@H](C(=O)OCC)[C@@H](C)NC1.Cl
MCULE-2664378385 0.61 Cl.CCC1(C(OC(C)(C)C)=O)CNCCC1
MCULE-6811665574 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC(=O)NC(C)CCCC(C)C)=O
MCULE-5978783786 0.61 Cl.COC(C1(C2(CNCC2)O)CCOCC1)=O
MCULE-7532594531 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C(CC)Cl)=O
MCULE-5507099057 0.61 N1(C[C@H]2[C@@](CCOC2)(CO)C1)C(=O)C1CCC(CC1)C(C)(C)C
MCULE-5308968730 0.61 CCOC(CC1(N2CCOCC2)CCCC1)=O
MCULE-8577534189 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C(CC)Br)=O
MCULE-5091555696 0.61 CC([C@@H]1[C@@H](CNC(C2(CCCCC2)O)=O)CCO1)C
MCULE-6066405812 0.61 CC1(CC(C(NCCC2OCC3(CCOCC3)CC2)=O)(O)C1)C
MCULE-2969283306 0.61 [C@@]12(CCOC[C@H]1CN(C(=O)C1(CCCC1)C)C2)C(O)=O
MCULE-3106825350 0.61 COCC(NC(CCC1OCCC1)=O)(CC(=O)O)C
MCULE-5942045210 0.61 CC(C(C1CC1)NC([C@@]12C3(CCC3)OC[C@@H]1C2)=O)(O)C
MCULE-3940386612 0.61 [C@@]12(CCOC[C@H]1CN(CCC(=O)NC1CCCCC1)C2)C(O)=O
MCULE-3959945484 0.61 COCC(NC(CCC1OC(C)CC1)=O)(CC(=O)O)C
MCULE-2822863754 0.61 CCOC(C=CCN1CCC(OCC2COCC2)CC1)=O
MCULE-5038813701 0.61 [C@@]12(CCOC[C@H]1CN(C(CCCN1CCCCCC1)=O)C2)C(O)=O
MolPort-009-752-031 0.61 CCOC(=O)C1CCCN(CC(O)=O)C1
MolPort-035-388-942 0.61 O=C(NCCCOCC1CCOCC1)C1(CCOCC1)C1CC1
MolPort-023-313-559 0.61 COC(=O)C1C2CCC(N2)C1C(=O)OC
MolPort-044-290-925 0.61 CC=C(C)C(=O)OC(C)CCN1CCCC1=O
MolPort-046-141-800 0.61 Cl.COC(=O)C1(CCNC1)C1CCOCC1
MolPort-046-024-163 0.61 COC(=O)[C@H]1[C@H]2CC[C@H](N2)[C@H]1C(=O)OC
MolPort-044-448-159 0.61 CCOC(=O)CCCN1CC2CC3CC2C1C3OC
MolPort-009-757-919 0.61 [I-].C[N+]12CCCC[C@H]1[C@@H](COC(=O)[C@@]13CC4CC(CC(Cl)(C4)C1)C3)CCC2
MolPort-010-320-009 0.61 O=C(OC1CCCCC1)C1CN(CC2CC2)C(=O)C1
MolPort-000-734-143 0.61 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C13CC4CC(CC(Cl)(C4)C1)C3)CCC2
MolPort-002-103-737 0.61 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CNC1CCCCC1
MolPort-046-092-854 0.61 OC1(CCOCC1)C(=O)N1CC2C3CCC(O3)C2C1
MolPort-039-256-488 0.61 CC(O)(CC(=O)NC1CCCC2OCCC12)C=C
MolPort-046-598-110 0.61 COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
MolPort-000-759-355 0.61 [I-].CC(C)C(O)(C(C)O)C(=O)OCC1=CC[N+]2(C)CCC(O)C12
MolPort-046-153-853 0.61 CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
MolPort-002-525-685 0.61 CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
MolPort-046-764-481 0.61 Cl.CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
MolPort-000-698-552 0.61 COC(C)C(O)(C(C)C)C(=O)OCC1=CCN2CCC(O)[C@@H]12
MolPort-035-836-727 0.61 COC1CCCC(C1)OC(=O)C1CN(C2CCC(C)CC2)C(=O)C1
MolPort-009-758-323 0.61 [I-].CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CC[N+]2(C)CC[C@H](O)[C@@H]12
MolPort-020-996-364 0.61 C1CC2(CO1)CCCNC2
MolPort-020-943-313 0.61 C1CC2(CN1)CCCOC2
MolPort-039-184-338 0.61 COC1CCC(CC1)NC[C@H]1CCO[C@@H]1C(C)(C)C
MolPort-039-184-292 0.61 COC1CCC(CC1)NC[C@H]1CCO[C@@H]1C(C)C
MolPort-039-184-262 0.61 CC(CC1CCOCC1)NC[C@H]1CCO[C@@H]1C(C)C
MolPort-028-899-264 0.61 CC[C@@H](O)CN1CCCCC1CCOC(C)C
MolPort-039-187-146 0.61 CC(CC1CCOCC1)NC[C@H]1CCO[C@@H]1C(C)(C)C
MolPort-027-913-735 0.61 OCCCC1CCCN1CC1CCCOC1
MolPort-027-807-734 0.61 C1COC2(C1)CCCNCC2
MolPort-046-419-732 0.61 CC1(C)CCNC[C@@H]2CCO[C@H]12
MolPort-044-586-868 0.61 Cl.CCC1(CCCNC1)C(=O)OC(C)(C)C
MolPort-042-621-528 0.61 COC(=O)[C@@H]1CNC[C@H]1C1CC1
MolPort-035-770-347 0.61 Cl.CCOC(=O)[C@@H]1CCCN[C@@H]1C
MolPort-029-917-572 0.61 COC(=O)C1(CNC2CC(C)OC(C)C2)CCCCC1
MolPort-041-700-793 0.61 CC(N1CCC(CC1)OC1CCC(C)CC1)C(O)=O
MolPort-004-839-663 0.61 CCOC(=O)C1CCCN(C1)C1CCCCC1
MolPort-039-332-656 0.61 Cl.CCOC(=O)C1(C)CCCCNC1
MolPort-046-744-938 0.61 CC1(C)CC(CC(C)(C)N1)N1C[C@@H]2COCC[C@]2(CO)C1
MolPort-046-530-723 0.61 Cl.CCOC(=O)CC1CCCCN1
MolPort-028-912-662 0.61 Cl.CCOC(=O)[C@H]1CCCN[C@@H]1C
MolPort-046-089-342 0.61 CCC1CC(CNCC2(O)CCOC2)CCO1
MolPort-046-767-771 0.61 Cl.CCOC(=O)C[C@H]1CCCCN1
MolPort-038-392-458 0.61 COC[C@@H]1[C@H](NC(CO)CO)[C@@H]2CCO[C@H]12
MolPort-035-774-102 0.61 Cl.CCOC(=O)C1CCCCNC1
MolPort-039-189-225 0.61 CC(C)[C@H]1OCC[C@@H]1CNC(=O)C1(O)CCCCC1
MolPort-002-512-269 0.61 CCC(Cl)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-078-754 0.61 COC(=O)C1CC1C(=O)N1CC2C3CCC(O3)C2C1
MolPort-045-971-835 0.61 Cl.COC(=O)C1(CCOCC1)C1(O)CCNC1
MolPort-046-640-696 0.61 CCOC(=O)[C@]12CC(=O)N[C@H]1CCCC2
MolPort-046-202-549 0.61 CCOC(=O)C12CC(=O)NC1CCCCC2
MolPort-046-738-498 0.61 CC(C)(C)C1CCC(CC1)C(=O)N1C[C@@H]2COCC[C@]2(CO)C1
MolPort-046-740-462 0.61 OC(=O)[C@@]12CN(C[C@@H]1COCC2)C(=O)CCCN1CCCCCC1
MolPort-046-741-081 0.61 OC(=O)[C@@]12CN(CCC(=O)NC3CCCCC3)C[C@@H]1COCC2
MolPort-046-744-744 0.61 CC1(CCCC1)C(=O)N1C[C@@H]2COCC[C@@]2(C1)C(O)=O
MolPort-035-851-822 0.61 CC(CC1CC2CCC1C2)(OC(=O)CCN1CCCC1=O)C=C
MolPort-046-783-020 0.61 COCC(=O)N1[C@H]2CC[C@@H]1CC(C2)OC1CCN(CC1)C(=O)C1CCOCC1
MolPort-002-513-082 0.61 CCC(Br)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-023-161-244 0.61 CCOC(=O)CC1(CCCCC1)N(C)C(=O)C1CCOC1
MolPort-002-516-624 0.61 CC(C)CCCC(C)NC(=O)CCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-009-758-309 0.61 [I-].CC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-010-516-637 0.61 CC1(C)C2CC1C(COCC(O)CN1CCCC(O)C1)=CC2
MolPort-005-943-127 0.61 CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-002-513-512 0.61 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCC1=CC=CC=C1
MolPort-000-778-720 0.61 [I-].CC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-042-588-292 0.61 COC(=O)[C@]12CN(CC3CCC=CO3)C[C@H]1COCC2
MolPort-002-521-989 0.61 CC1CN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC(C)O1
MolPort-027-919-023 0.61 COC(=O)CCN1CCC(CC1)C1CCOCC1
MolPort-046-153-844 0.61 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
MolPort-046-136-514 0.61 COC(=O)C[C@@H](C)NC(C)CC1CCOCC1
MolPort-002-535-188 0.61 C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5C4C[C@H](OC(C)=O)[C@H]4C[C@@H](CC[C@]54C)OC(C)=O)C3CN2C1
MolPort-027-925-455 0.61 C1CC2(C1)C(NC1CCCCC1)C1CCOC21
MolPort-039-309-050 0.61 Cl.CCOC1CC(N(C)CCC(O)=O)C1(CC)CC
MolPort-000-774-763 0.61 C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5C4CC(OC(C)=O)[C@H]4CC(CCC54C)OC(C)=O)C3CN2C1
MolPort-038-944-153 0.60 Cl.CCOC(=O)C12CC1CNC2
MolPort-045-998-970 0.60 Cl.C1CC2(C1)CN[C@@H]1COC[C@H]21
MolPort-039-241-428 0.60 Cl.C1CC2(C1)CNC1COCC21
MolPort-046-676-316 0.60 Cl.COC(=O)C1CNC2(C1)CCOCC2
MolPort-029-924-478 0.60 COCCC1(CC1)C(=O)NC[C@H]1CCO[C@@H]1C(C)C
MolPort-044-462-621 0.60 CCC(C)(CC)C(=O)N1CCC2(C1)CCCOC2
MolPort-046-730-719 0.60 Cl.OC(=O)CC1CNC2(C1)CCOCC2
MolPort-002-512-997 0.60 CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCCC1
MolPort-046-090-467 0.60 CCOC(=O)C1(CC1)C(=O)N1CC2CCC(O)C2C1
MolPort-039-168-162 0.60 CN(CC(C)(C)O)C(=O)[C@H]1CCO[C@@H]1C1CCN(C)CC1
MolPort-044-446-864 0.60 OC(C1CCCCC1)C(=O)N1CCC2(CCOC2=O)CC1
MolPort-046-737-402 0.60 CC(C)(CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O)N1CCCCC1
MolPort-002-514-577 0.60 CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCC(C)(C)C1
MolPort-044-473-670 0.60 CN(CC1(O)CCCCCC1)C(=O)CC1COC(=O)C1
MolPort-046-202-744 0.60 Cl.CCOC(=O)C12CC(C)(C1)OC21CCNCC1
MolPort-046-175-808 0.60 OC(=O)C1(CCCC1)NC(=O)C1CC(=O)OC11CCCC1
MolPort-046-688-569 0.60 CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)C1=CC=CC=C1
MolPort-006-392-363 0.60 CN1C2CC(CC1C1OC21)OC(=O)C(=C)C1=CC=CC=C1
MolPort-046-067-807 0.60 [I-].COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
MolPort-046-599-058 0.60 CC(=O)NCCC1CCOC2(CCN(CC2)C(=O)C2CCOCC2)C1
MolPort-023-177-813 0.60 CCOC(=O)C1CCN(CC1)C1CC(CC1O)C(=O)OC
MolPort-023-247-063 0.60 COCCC1(CCNC1)C(=O)OC
MolPort-046-607-401 0.60 O=C(NCCC1CCOC2(CCN(CC2)C(=O)C2CCOCC2)C1)C1CC1
MolPort-020-867-325 0.60 C(C1CCCN1)C1CCCO1
MolPort-045-990-655 0.60 C=CC(=O)N1CCC(C1)C1CCCO1
MolPort-044-452-765 0.60 OC(CN1CC[C@H]2OCC[C@H]2C1)CN1CC[C@H]2OCC[C@H]2C1
MolPort-044-858-040 0.60 CC(C)CC1(CCC1)C(=O)N1CCC2(C1)CCCOC2
MolPort-035-394-251 0.60 CC1(C)CC2(CCNC2)CO1
MolPort-041-710-294 0.60 OC(=O)CCCCC(=O)N1CC2C3CCC(O3)C2C1
MolPort-039-060-773 0.60 CCOC(=O)C1CNCC11COC1
MolPort-042-684-585 0.60 Cl.O=C1OC[C@@H]2CNC[C@H]12
MolPort-042-689-601 0.60 CCOC(=O)[C@@H]1CC[C@H](C)N(CCF)[C@@H]1C
MolPort-044-447-024 0.60 CO[C@@H]1C[C@@H](CO)N(CCCC2CCOCC2)C1
MolPort-044-458-616 0.60 CC1CCC(O)(CN2CCC(CC2)OCC2CCOC2)CC1
MolPort-046-657-160 0.60 CC(C)(C)OC(=O)CC12CC(C1)CN2
MolPort-027-925-328 0.60 CC(C)N1CCC(CC1)OC(=O)C1CCCCC1
MolPort-027-893-781 0.60 COCCCCOC(=O)C1CCCN(CC(F)(F)F)C1
MolPort-035-841-554 0.60 O=C(OC1CCC1)C1CN(C2CCCCCC2)C(=O)C1
MolPort-046-677-772 0.60 CCOC(=O)C1CNC(=O)CC11COC1
MolPort-002-531-919 0.60 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CC4)C(C)=O)[C@H]3C3OC123
MolPort-046-117-692 0.60 CN(CCC(O)=O)C(=O)[C@]12CCC[C@H]1OCC2
MolPort-038-976-476 0.60 CC(O)CC1CCCCN1CC(O)COCC1=CCC2CC1C2(C)C
MolPort-046-675-148 0.60 COC(=O)C12CCNC1CCCCC2
MolPort-002-525-530 0.60 CN(CC(O)COC1=CC=CC2=CC=CC=C12)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-019-901-411 0.60 CC(C)N(CCC(N)=O)C(=O)C1CC(=O)OC11CCCC1
MolPort-020-093-965 0.60 Cl.CCOC(=O)CC1(CCCC1)N1CCOCC1
MolPort-002-522-592 0.60 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
MolPort-020-096-305 0.60 COC(=O)C1CCCCN1CCC(=O)OC(C)C
MolPort-020-318-145 0.60 CCOC(=O)C1CCN(CC(O)COC(C)C)CC1
MolPort-046-648-332 0.60 CCCC1CCC(CNC2CCOC3(CC(C3)C(O)=O)C2)CC1
MolPort-046-629-099 0.60 Cl.C1COC2(C1)CCCNCC2
MolPort-046-648-333 0.60 CC(C)C1CCC(CNC2CCOC3(CC(C3)C(O)=O)C2)CC1
MolPort-046-639-326 0.60 C=CC(=O)NC[C@]12C[C@H]1COC21CCC1
MolPort-046-654-204 0.60 COC(=O)[C@@H]1CNC[C@H]1C1CCCC1
MolPort-035-831-102 0.60 COC(=O)[C@]12CNC[C@H]1CCCC2
MolPort-000-757-520 0.60 OC(=O)C([O-])=O.CCCC[NH+](CCCC)CCCNCC1C2CC3=C(C)CCCC3(C)CC2OC1=O
MolPort-044-464-983 0.60 CCOCCC1(CCCC1)C(=O)N1CC(O)C2(CC2)C1
MolPort-035-849-387 0.60 CC1(COC(=O)C2CCCN(CC(F)(F)F)C2)CNC(=O)C1
MolPort-002-513-551 0.60 COC1=C(\C=C\C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)C=CC=C1
MolPort-035-828-967 0.60 CCOC1CC(N(C)CC(C)O)C11CCCCC1
MolPort-039-089-061 0.60 COCCCN1C[C@H]2CCCC[C@]2(C1)C(=O)OC
MolPort-039-160-291 0.60 CN(CCO)C(=O)[C@H]1CCO[C@@H]1C1CCN(C)CC1
MolPort-030-021-322 0.60 CC1OCCC1C(=O)NC1(CO)CC(C)CC(C)(C)C1
MolPort-040-173-585 0.60 CO[C@H]1C[C@@H](CO)N(C1)C(=O)C1CCCOCC1
MolPort-028-901-554 0.60 CC1(C)CCCC(CNC2(CO)CCOCC2)C1
MolPort-044-422-598 0.60 COC(=O)[C@]12CCC[C@H]1NCC2
MolPort-044-422-708 0.60 COC(=O)[C@]12CCC[C@H]1CNC2
MolPort-044-440-875 0.60 OC[C@@H]1C[C@H](O)CN1CCCCC1CCOCC1
MolPort-028-794-823 0.60 CC(C)C1CC(CNC2(CCO)CCOCC2)CCO1
MolPort-009-758-294 0.60 OC(=O)C(O)=O.CCCCN(CCCC)CCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-028-773-292 0.60 CC1(C)C(NC2CC(C)(C)OC2(C)C)C2CCOC12
MolPort-028-616-146 0.60 COC(=O)C12CCCC1CNC2
MolPort-046-519-236 0.60 OCCN(CC1CCCOC1)CC12CC3CC(CC(C3)C1)C2
MolPort-002-513-989 0.60 COC1=C(\C=C\C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)C=CC=C1
MolPort-045-973-053 0.60 CC(C)(C)OC(=O)C(C)(O)CNC1CCC[C@H]2C[C@@H]12
MolPort-002-514-979 0.60 CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCC1
MolPort-027-885-345 0.60 COCCC1(CO)CCCN(C1)C1CCOCC1
MolPort-046-099-755 0.60 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)NC1C2CCOC2C11CCC1
MolPort-046-140-200 0.60 Cl.C1C[C@@H]2CNCCC[C@@H]2O1
MolPort-027-880-822 0.60 OC(=O)[C@@H]1CN(C[C@H]1C1CC1)C1CCOCC1
MolPort-027-844-993 0.60 Cl.OC(=O)C1C2CNCC1COC2
MolPort-023-334-412 0.60 Cl.C1CC2(CO1)CCCNC2
MolPort-002-532-017 0.60 CC(=O)N1CCN(CC2[C@H]3CC4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-046-417-126 0.60 Cl.CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-046-419-894 0.60 Cl.CC1(C)CNC[C@@H]2CCO[C@@H]2C1
MolPort-046-495-891 0.60 COC1CC(C1)C(=O)NC1CCOC2(CC(C2)C(O)=O)C1
MolPort-046-495-893 0.60 CCOC1CC(C1)C(=O)NC1CCOC2(CC(C2)C(O)=O)C1
MolPort-042-623-117 0.60 Cl.C1CC2(CN1)CCCOC2
MCULE-5449830396 0.60 O1C2(CCNCC2)CCC1=O
MCULE-9140409933 0.60 FCCCCCN1CC2(COCCC2)CC1
MCULE-7326766201 0.60 O=C(CC1CCCN1)OCC
MCULE-8020009759 0.60 COC1(C(NC2CCOCCC2)C1)C
MCULE-7788847676 0.60 C(=O)(OC(C)(C)C)CC1CCCN1
MCULE-5955422891 0.60 CC1(OC(C)(C)CC(NC2C3(CCCC3)C3C2CCO3)C1)C
MCULE-7525435397 0.60 CCOC1C(CC)(CC)C(N(CCCC(O)=O)C)C1
MCULE-2615071156 0.60 CC(C1OCCC(NCCC(C(=O)O)(C)C)C1)C
MCULE-5356464537 0.60 CC(CC(C(=O)O)CNC1CC(C(C)C)OCC1)C
MCULE-1496265398 0.60 C(=O)(OC(C)(C)C)C[C@@H]1CCCN1
MCULE-9220922288 0.60 C(=O)(OC(C)(C)C)C[C@@H]1CCCN1
MCULE-4925716446 0.60 Cl.C1C23COCC2(CNC3)C1
MCULE-8085914288 0.60 C1CC2(C3C(CCO3)C2NC2C3CC(CC3)C2)C1
MCULE-7762150076 0.60 C(OCC)(=O)CCNC(COC)CCC
MCULE-8079575659 0.60 Cl.OC(CCN1CCC(OCC2CCCC2)CC1)=O
MCULE-5310775910 0.60 CC1CNC2C(C)C3(C(C)=C4C(C5C(C4)C4(C)C(CC(O)CC4)C(=O)C5)CC3)OC2C1
MCULE-7547702582 0.60 C1C[C@]2(C)[C@@]3([H])CC4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC(=O)[C@@]2([H])C[C@H]1O
MCULE-8500092253 0.60 C12(CCOC(C)(C)C1)OC(CC2C(=O)N(CCC)CCC)=O
MCULE-4279561803 0.60 OC(C1C(C2OCCCC2)CC(=O)N1)=O
MCULE-3557196801 0.60 CC1C(C)C2(C(C(O)=O)NC(=O)C2)CO1
MCULE-5440615613 0.60 CCOC1C(C)(C)C(C(=O)O)(NC(C2C3OC(CC3)C2)=O)C1
MCULE-3420182334 0.60 CCOC1C2(CCOCC2)C(NC([C@H]2[C@@H](C(C)=C)OCC2)=O)C1
MCULE-5221700413 0.60 CC1(C2C(CCCO2)C1NC(CC1NCCOC1)=O)C
MCULE-2202092637 0.60 O=C(N1C2C(COCC2)CCC1)CC1NCCOC1
MCULE-7085696227 0.60 CCC1C2(C(C(O)=O)NC(=O)C2)COC1
MCULE-2169681786 0.60 C[C@H]1O[C@@H]2[C@@H](N[C@H](C(O)=O)C2)C1
MCULE-8625508824 0.60 OC(CN(C(CCC1OCCC1)=O)C1CCOCC1)=O
MCULE-7267912606 0.60 Cl.C1CC2(C3C(COC3)NC2)C1
MCULE-3608100783 0.60 OC([C@H]1[C@H](C(N2C[C@@H]3[C@@H](COC3=O)C2)=O)C1)=O
MCULE-5136619491 0.60 C12(CNCC1C2)C(OCC)=O.Cl
MCULE-3500675341 0.60 OCC1(CCOCC1)CNC([C@@]12C3(CCC3)OC[C@@H]1C2)=O
MCULE-1795697683 0.60 OC(CC1CC2(CCOCC2)NC1)=O.Cl
MCULE-6356241459 0.60 CCC(C(O)=O)(CNC([C@@]12CCO[C@@H]1CCC2)=O)CC
MCULE-6948520599 0.60 O=CCCN1C2C(COC2)CCC1
MCULE-1631830861 0.60 OC(C1(CCOCC1)CNC(CC1OCCC1)=O)=O
MCULE-4669396983 0.60 CCC(C(N1CC2(COCCC2)CC1)=O)(CC)C
MCULE-1841693667 0.60 OC(C1(CCOCC1)CNC(CC1OCCCC1)=O)=O
MCULE-9559561642 0.60 CC(C=O)(CN1C2COCC2CCC1)C
MCULE-3634831222 0.60 OC(CN(C(CCC1OCCCC1)=O)C1CCOCC1)=O
MCULE-7045120179 0.60 CCCCC(C(=O)O)NC1C2(CCC2)C(OCC)C1
MCULE-7872792768 0.60 C[C@]1([C@@](CO)(C)CN(C([C@@]23C4(CCC4)OC[C@@H]2C3)=O)C1)CO
MCULE-7460936458 0.60 OCC1(CCOCC1)CNC1C2(OCCC2)CCC1
MCULE-7076926617 0.60 COC(C=CN1CC2COCC2CC1)=O
MCULE-8099166772 0.60 COC(C1C(C2CC3C(C3)C2)CNC1)=O
MCULE-6569283479 0.60 CCOC1C(C)(C)C(NC(CCC2OCCC2)=O)C1
MCULE-9985806410 0.60 C(F)(F)(F)C(=O)OCC1CCC[N+]2(C)CCCCC21.[I-]
MCULE-9274074312 0.60 NCCC(NC1C2C(OCC2)CCC1)=O
MCULE-5228880866 0.60 COCCC1(C(NC[C@@H]2[C@@H](C(C)C)OCC2)=O)CC1
MCULE-2433709295 0.60 CC(C1CCNCC1)CC(NC1C2C(OCC2)CCC1)=O
MCULE-6375753893 0.60 Cl.COC(C1CC2(CCOCC2)NC1)=O
MCULE-3494260825 0.60 OC(CCCCC(NC1C2(CCC2)C2C1CCO2)=O)=O
MCULE-7291134473 0.60 CC(CCN1C2C(COC2)CCC1)=O
MCULE-6930587638 0.60 NCCCC(NC1C2C(OCC2)CCC1)=O
MCULE-5690935213 0.60 CCC1C(NCC2(C3OCCCC3)CCC2)COCC1
MCULE-3078479251 0.60 CC(C(C(N1[C@H]2CCC[C@H]2C2(CCOCC2)C1)=O)O)(O)C
MCULE-5455044724 0.60 CCOC(C1(C(N2CC3C(CCC3O)C2)=O)CC1)=O
MCULE-1471631586 0.60 CC1OC(CCC(N2C(C)(C)CC(O)C2)=O)CC1
MCULE-8871506816 0.60 [C@@]12(CCOC[C@H]1CN(CC(C)(C)N1CCCCC1)C2)C(O)=O
MCULE-3759831990 0.60 COC(C12CNCC1(C(OC)=O)CC2)=O.Cl
MCULE-1449696745 0.60 OC(C(N1CCC2(C(=O)OCC2)CC1)=O)C1CCCCC1
MCULE-1638754111 0.60 N1(CCOCC1CC(OC)=O)C1CCCCC1
MCULE-2577773053 0.60 O=C1CCC2(CCCNC2)O1
MCULE-7641833758 0.60 CCOC(C1CN(CC2OCCC2)CCC1)=O
MCULE-4572369372 0.60 CN(C(CC1CC(=O)OC1)=O)CC1(CCCCCC1)O
MCULE-9188948116 0.60 CCOC1C2(CCC2)C(NC(CCC2OCCC2)=O)C1
MCULE-2588474803 0.60 CC[C@H]1[C@H](C(N2C(CO)(CO)CCC2)=O)CCO1
MCULE-6999959727 0.60 CC1(CN(C(C=C)=O)C[C@@H]2[C@@H](OCC2)C1)C
MCULE-4020297662 0.60 CC1(C(C(NC2C(C)(C)C3OCCC23)=O)(C(O)=O)C1(C)C)C
MCULE-7749822643 0.60 CC1N(C(C2(COC2)O)=O)CC2(CCOCC2)C1
MCULE-3508966895 0.60 CN(C([C@@H]1[C@@H](C2CCN(C)CC2)OCC1)=O)CC(O)(C)C
MCULE-8798717266 0.60 C=CC(N1CCC2(OCCC2)CCC1)=O
MCULE-3630172217 0.60 C1CC2C(CCCN2CC1)COC(=O)CN1CCOCC1
MCULE-2775982131 0.60 CC(C(OC(C)(C)C)=O)NC1C(C2CC2)OCC1
MCULE-4141805298 0.60 CCC1OCCC(C(N2C(CO)(C)CC(O)C2)=O)C1
MCULE-1490670181 0.60 O=C(NC1C2C(OCC2)CCC1)CCC1CCNCC1
MCULE-4513857921 0.60 CC=CC(C(N[C@H]1[C@@H]2[C@@H](OCCC2)C1)=O)O
MCULE-6486625271 0.60 [C@H]1(COCC[C@@H]1OC/C=C(\C)/C)NC1CCOCC1
MCULE-2020707174 0.60 O=C(C1CN(C2COCC2)C1)NC1C2C(OCC2)CCC1
MCULE-8050173504 0.60 CC(C(=O)O)CN(C(CCC1OC(C)CC1)=O)C1CC1
MCULE-6280017626 0.60 C12(C)CCC3C(CC[C@@]4([H])CC(CCC34C)OC(=O)CC[NH+]3CCCC(C)(C)C3)C1CC=C2C(C)=O
MCULE-9191431785 0.60 O[C@@H]1C[C@H](C(NC2C3C4(C(C3)CCO4)CCC2)=O)C1
MCULE-6635811464 0.60 OCC1(CN(C([C@@]23C4(CCC4)OC[C@@H]2C3)=O)CC1)O
MCULE-4718441284 0.60 N1(CCC2(CC1)CC(CCOCC1CC1)CCO2)C(C1CCOCC1)=O
MCULE-7272047009 0.60 CCOC(CCNC(C1(C(C)(C)C2C1CCCO2)N)=O)=O
MCULE-5662137056 0.60 OC(C(O)=O)CN1C2C(COC2)CCC1
MCULE-8113938034 0.60 C1(CC(OC21CCCC2)=O)C(=O)NC1(CCCC1)C(O)=O
MCULE-2907217992 0.60 C=CC(N1CC2(COCC2)CCC1)=O
MCULE-9602198033 0.60 C12C3OC3C(N1C)CC(OC(C(=C)C1C=CC=CC=1)=O)C2
MCULE-7372159029 0.60 COC(CC(N1C(CO)CCC2(CCOCC2)C1)=O)C
MCULE-3339988312 0.60 [I-].C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
MCULE-2698722274 0.60 CC(C1C(C(NC(C(O)C)(C)C)=O)CCO1)C
MCULE-9118879042 0.60 CC1C2(C(C)COC2)CNC1
MCULE-2136634644 0.60 CC(C(NC1C2C(OCC2)CCC1)=O)CN
MCULE-2949306974 0.60 C12(CCNC1)COC(C)(C)C2
MCULE-1404280038 0.60 CC(C(=O)O)CN(C(CCC1OCCC1)=O)C1CC1
MCULE-7913729141 0.60 CC1OCC2(CNCC2)C1
MCULE-4979062063 0.60 CCCN(C1C2(CCCCC2)C(OCC)C1)CCCC(O)=O
MCULE-5741303412 0.60 CC(CC(C(=O)O)CNC1C2(CCOCC2)CCC1)C
MCULE-4686617260 0.60 CCOC(C1CCC(NC(CC(OC)(C)C)C)CC1)=O
MCULE-7994993849 0.60 CCOC1C2(CCCCC2)C(N(CCCC(O)=O)C)C1
MCULE-8611658285 0.60 OC(CN1C[C@H]2[C@H](OCC2)CC1)CN1C[C@H]2[C@H](OCC2)CC1
MCULE-8014676589 0.60 CC1(OC(C)(C)CC(NCCC2(COCCC2)O)C1)C
MCULE-5749953430 0.60 CC(N1CCC(OC(C2CCCCC2)=O)CC1)C
MCULE-4978373208 0.60 CCNC(C1(COC(C)CC1)O)C
MCULE-8168207341 0.60 CCOC1C2(CCCC2)C(N(CCCC(O)=O)C)C1
MCULE-8427057371 0.60 CCCN(C1C2(CCCC2)C(OCC)C1)CCCC(O)=O
MCULE-9356891511 0.60 CC(CC(C(=O)O)CNC1CCC(OC2CCCC2)CC1)C
MCULE-5726764980 0.60 CO[C@H]1CN(CCCC2CCOCC2)[C@H](CO)C1
MCULE-8432157400 0.60 CC1CCC(CN2CCC(OCC3COCC3)CC2)(O)CC1
MCULE-3981802203 0.60 CCOC(C1CCC(NC(CCOC)C)CC1)=O
MCULE-5607638769 0.60 N1(CCCCC1)CC(CCCCCCCCC(OCCC)=O)O.[H]Cl
MCULE-1613651375 0.60 C(C(OCC)=O)C1(CCCC1)N(CC)CC
MCULE-7840003041 0.60 OC(C(CN1CC2C(COC2)CC1)Cl)=O
MCULE-2864085006 0.60 N1(CCC2(CC1)CC(CCO2)CCNC(C)=O)C(C1CCOCC1)=O
MCULE-4560885435 0.60 CC(C(NC1C2C3(C(C2)CCO3)CCC1)=O)(O)C
MCULE-9016078573 0.60 OC1(C(N2CC3C(OCCC3)CC2)=O)CC1
MCULE-2985298991 0.60 OC(CCCCC(N1CC2C(C3OC2CC3)C1)=O)=O
MCULE-5053729208 0.60 CC([C@@H](C(N[C@H]1[C@@H]2[C@@H](OCCC2)C1)=O)O)C
MCULE-8425653673 0.60 CC(CC1(C(N2CC3(COCCC3)CC2)=O)CCC1)C
MCULE-6509205211 0.60 CCCC(C(N1C[C@@H]2[C@@H](OCC2)CC1)=O)O
MCULE-5343826552 0.60 COCCCCOC(C1CN(CC(F)(F)F)CCC1)=O
MCULE-9067051461 0.60 OC1(C(NC2CC3(CCCCC3)OCC2)=O)CC1
MCULE-1268089608 0.60 CCOC(C1CCN(C2C(O)CC(C(OC)=O)C2)CC1)=O
MCULE-3352361138 0.60 COC(C12CNCC1(C(OC)=O)CC2)=O
MCULE-9909738483 0.60 OC1CC2CC(CC(C(N3CC4(COCC4)CC3)=O)C2)C1
MCULE-8912088115 0.60 COCCC(N1C(CO)CCC2(CCOCC2)C1)=O
MCULE-7142700919 0.60 N1(CCC2(CC1)CC(CCO2)CCNC(=O)C1CC1)C(C1CCOCC1)=O
MCULE-2850106216 0.60 CCOC([C@H]1[C@@H](C)N(CCF)[C@@H](C)CC1)=O
MCULE-3748491522 0.60 NCC(C(O)=O)N1CC2C(COC2)CC1
MCULE-6344926379 0.60 CCC(C(C(NC1C2C(OCC2)CCC1)=O)C)O
MCULE-6343862670 0.60 C=CC(N1CC(C2OCCC2)CC1)=O
MCULE-2114220950 0.60 O=C(C1CC(=O)N(C2CCCCCC2)C1)OC1CCC1
MCULE-7340204889 0.60 COC(C(C1(OC)CCC1)N1CC2(COCC2)CC1)=O
MCULE-6117926263 0.60 O=C(NC1C2C(OCC2)CCC1)CC1NCCC1
MCULE-5346795441 0.60 OC1(CCC1)CNC([C@@]12CCO[C@@H]1CCC2)=O
MCULE-1709257232 0.60 CN(C([C@@]12CCO[C@@H]1CCC2)=O)CCC(O)=O
MCULE-7634067244 0.60 CC(C(=O)O)CN(C(C1C2OC(CC2)C1)=O)C1CC1
MCULE-3390277958 0.60 CC(CC1N(CC(COCC2C3C(C)(C)C(C3)CC=2)O)CCCC1)O
MCULE-4284231660 0.60 O=C(NC1C2C(OCC2)CCC1)CC1NCCOC1
MCULE-6789583685 0.60 CCCNC1C(C)(C)C2C1CCO2
MCULE-9485050180 0.60 COC(C1(C(C2OCCC2)CNC1)F)=O
MCULE-7953027857 0.60 C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
MCULE-1719442401 0.60 C12(C)CCC3C(CC[C@@]4([H])CC(CCC34C)OC(=O)CC[NH+]3CCCC3)C1CC=C2C(C)=O
MCULE-4076294124 0.60 CNCCC(NC1C2C(OCC2)CCC1)=O
MCULE-1969211374 0.60 C=CC(NC[C@@]12C3(CCC3)OC[C@@H]1C2)=O
MCULE-5367748788 0.60 Cl.CC1(C[C@@H]2[C@@H](CCO2)CNC1)C
MCULE-1920651803 0.60 Cl.C1OCC2(CNCCC2)C1
MCULE-5631568764 0.60 OC(CCC(NC1C2(CCC2)C2C1CCO2)=O)=O
MCULE-6946363626 0.60 O=C(NC1C2C(OCC2)CCC1)CCC1CNCC1
MCULE-2577186847 0.60 CNCC(C(NC1C2C(OCC2)CCC1)=O)C
MCULE-2419357890 0.60 CC1(CC(=O)NC1)COC(C1CN(CC(F)(F)F)CCC1)=O
MCULE-5096330707 0.60 COC([C@@]12CNC[C@@H]1CCC2)=O
MCULE-7169209887 0.60 CCC(C(=O)O)(CNCCC1COCC1)CC
MCULE-8093590030 0.60 CC1C2(CC(C3CC3)OC2)CC(=O)N1
MCULE-1532376597 0.60 CC1(C2C3NCC2C3)OCC(O)C1
MCULE-4781803786 0.60 O=C1NCC2(CC(C3CC3)OC2)C1
MCULE-8474823297 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1C=CC=CC=1OC
MCULE-9044587781 0.60 O=C1CC(N2CC3C(COC3)CC2)CC1
MCULE-7440414955 0.60 CC1(CCN(CC2C3OC(CC3)C2)CC1)O
MCULE-3236941887 0.60 CCCCC(C(NC(C(=O)O)C1COCCC1)=O)CC
MCULE-1930775286 0.60 C1(CCCC1)(N1CCCC1)C(N)C(OCC)=O
MCULE-6829582666 0.60 Cl[H].C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
MCULE-1816740237 0.60 CC1(CCC(CNC([C@@]23C4(CCC4)OC[C@@H]2C3)=O)(O)CC1)C
MCULE-1135745909 0.60 CCC1C2(CC(C)OC2)CC(=O)N1
MCULE-4581541932 0.60 CC1(CC(CNC2(CCOCC2)CO)CCC1)C
MCULE-2413065617 0.60 OCC1(CCC1)CNCC1C2OC(CC2)C1
MCULE-5960580333 0.60 CC1(CN(CCC2OCCCC2)C1)O
MCULE-1129728071 0.60 CCCC1C2(C(C)NC(=O)C2)COC1
MCULE-8174118159 0.60 CCOC1CC(C(NC2CC3(CC(C(O)=O)C3)OCC2)=O)C1
MCULE-7481964313 0.60 CCOC(C1CCN(CC(COC(C)C)O)CC1)=O
MCULE-7677573038 0.60 I.CCCC(CNC(C1COCCC1)C)O
MCULE-3627918210 0.60 Cl.C12(CCCOC1)CCNC2
MCULE-3207474541 0.60 CCOC1CC2(CN(CC(C(O)C)O)CC2)C1
MCULE-1667686603 0.60 COCC(NC(CCC1OCCCC1)=O)(CC(=O)O)C
MCULE-8136172928 0.60 O=C1C2(NCCC2)CCO1
MCULE-9211135064 0.60 CC(OC(C(CNC1[C@H]2[C@H](C2)CCC1)(O)C)=O)(C)C
MCULE-4372699796 0.60 [C@@H]1(C(O)=O)CN(C[C@H]1C1CC1)C1CCOCC1
MCULE-8402880038 0.60 COC(C1C2(CCCCC2)CNC1)=O
MCULE-1387351576 0.60 CC12OCC(C1)(CN1CCC(C3OCCC3)CC1)C2
MCULE-6372392594 0.60 C1(=O)OC2C(CC3C(C)(CCCC=3C)C2)C1CNCCC[NH+](CCCC)CCCC.C(=O)([O-])C(O)=O
MCULE-6818670424 0.60 CCOCCC1(C(N2CC3(CC3)C(O)C2)=O)CCCC1
MCULE-4757489204 0.60 CCC(C(O)=O)N1CCC(OCC2CCCC2)CC1
MCULE-7153043833 0.60 CCOC1CC2(CN(CC3OC(=O)C4(CC4)C3)CC2)C1
MCULE-9185739817 0.60 OC(CC1N(C(CCCOCC=C)=O)CCC1)=O
MCULE-5950526975 0.60 CN(C([C@@H]1[C@@H](C2CCN(C)CC2)OCC1)=O)CCO
MCULE-9720680527 0.60 CCC1C2(C(C)COC2)CC(=O)N1
MCULE-3437998498 0.60 CCC1C2(COC(C)CC2)CC(=O)N1
MCULE-8149410831 0.60 CC1C2(COC(C)CC2)CNC1=O
MCULE-7404315019 0.60 CC1C2(COC(C)CC2)C(C)C(=O)N1
MCULE-6862721689 0.60 CC(C1OCC2(C(C)NC(=O)C2)C1)C
MCULE-8676607349 0.60 CC(C1OCC2(CC(=O)NC2)C1)C
MCULE-4721633162 0.60 CC1(C2C(CCO2)C1NC1C(C)(C)OC(C)(C)C1)C
MCULE-9057880045 0.60 CC1(C(CN2CCC(=O)CC2)CCO1)C
MCULE-3306357034 0.60 CC(C1OCCC(CNC2(CCOCC2)CCO)C1)C
MCULE-3535626653 0.60 CCC1C2(C(C)COC2)C(C)C(=O)N1
MCULE-8971651094 0.60 O=C1CN(C2CC(C3CC3)OC2)CC1
MCULE-7151204903 0.60 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1C=CC=CC=1OC)C
MCULE-6681381750 0.60 Cl.C1CC2(CCNCCC2)OC1
MCULE-2896414176 0.60 CCCC1C2(CC(=O)NC2)COC1
MCULE-5920500757 0.60 C1(CC(OC21CCCC2)=O)C(=O)N(C(C)C)CCC(N)=O
MCULE-4385109961 0.60 CCC(C(=O)O)(CNC(C1COCC1)C)CC
MCULE-3734818939 0.60 C12(CCCC1CNC2)C(OC)=O
MCULE-4223289657 0.60 C12(CCCCC1CNC2)C(OC)=O
MCULE-5472503038 0.60 CC1C(C(NC2(CC(C)(C)CC(C)C2)CO)=O)CCO1
MCULE-3065280207 0.60 CC=CC(C(NC1CC(C2CC2)OCC1)=O)O
MCULE-7801717957 0.60 C12(CN(CCO)CC3CCCOC3)CC3CC(CC(C3)C1)C2
MCULE-6610852726 0.60 CC(C(CN1CCC(C2OCCC2)CC1)O)O
MCULE-7707967446 0.60 COCCCN1C[C@@]2(C(OC)=O)[C@H](CCCC2)C1
MCULE-8683056547 0.60 CC1(CCC(CNC2CC3(CC(C([O-])=O)C3)OCC2)CC1)C
MCULE-3786147529 0.60 O[C@H]1[C@H](NCC23COCC2C3)CCC1
MCULE-3925415906 0.60 OC1C(NCC23COCC2C3)CCC1
MCULE-8163816743 0.60 CCCCC(CC(NC(C(=O)O)C1COCCC1)=O)CC
MCULE-9352970524 0.60 CCC1OCC2(CC(=O)NC2)C1
MCULE-1906506287 0.60 CCC1OCC2(C(C)NC(=O)C2)C1
MCULE-6029758553 0.60 CC1C(C2NCCC(C)C2)(O)COC1
MCULE-8854380163 0.60 CCC1OCC2(C(C)(C)NC(=O)C2)C1
MCULE-2087037116 0.60 COC(C1N(CCC(OC(C)C)=O)CCCC1)=O
MCULE-1602772648 0.60 CC(C(=O)O)(CC(NC1C2(CCC2)C2C1CCO2)=O)C
MCULE-5882021891 0.60 CCOC1C2(CCCCC2)C(N(CC(O)C)C)C1
MCULE-3906269236 0.60 CCC1C2(CC(C)OC2)C(C)C(=O)N1
MCULE-8776027331 0.60 CC(C1CCC(CNC2CC3(CC(C(O)=O)C3)OCC2)CC1)C
MCULE-7524998334 0.60 OC(C1(CCOCC1)CNC(C1C2OC(CC2)C1)=O)=O
MCULE-8029485379 0.60 CC1C(C2NCCCC2)(O)COC1
MCULE-6679878832 0.60 CCOC(C(C1COCCC1)NCC1CCNCC1)=O
MCULE-6374797962 0.60 N1(CCCC(CCOC)(CO)C1)C1CCOCC1
MCULE-6196147533 0.60 OC1(CCC1)CCNCC1C2OC(CC2)C1
MCULE-6031020144 0.60 CCCC1CCC(CNC2CC3(CC(C(O)=O)C3)OCC2)CC1
MCULE-4826780453 0.60 OC[C@H]1N(CCCCC2CCOCC2)C[C@@H](O)C1
MCULE-9773680053 0.60 CCOC1C2(CCC2)C(N(CC(C(O)C)O)C)C1
MCULE-9918978751 0.60 OC1CN(CCC2OCCCC2)C1
MCULE-8062912705 0.60 Cl.CCOC(CC1(N2CCOCC2)CCCC1)=O
MCULE-1072700160 0.60 C1O[C@@H]2[C@@H](CNCCC2)C1.Cl
MCULE-3802675650 0.60 COC1CC(C(NC2CC3(CC(C(O)=O)C3)OCC2)=O)C1
MCULE-4888442242 0.60 COC([C@@]12CCCC[C@@H]1NCC2)=O
MCULE-1427101438 0.60 C1(C[NH+](CC)CC(C)(O)C2C=CC=CC=2)[C@@]2([H])CC3C(CCCC3(C[C@]2(OC1=O)[H])C)=C
MCULE-7919681224 0.60 CC1CC(C)(C)CC(OC(CCN2C(=O)C3C(CCCC3)C2=O)=O)C=1
MCULE-5706880350 0.60 C1[C@]2(C)C[C@@H](C)[C@@](C)(O2)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-3532125991 0.60 [C@]12(OC([C@@H](C)C1)=O)[C@@H](OC)CCCN1[C@@]([H])(CC[C@]21[H])[C@@]1([H])OC([C@@H](C)C1)=O
MCULE-5519103580 0.60 C(O)(=O)CCC(OCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O)=O
MCULE-4985979068 0.60 COCCC(C(=O)O)NC(C1C2OC(CC2)C1)=O
MCULE-9482753335 0.60 C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O
MCULE-2939456949 0.60 [Cl-].C12(C)CCC3C(CC[C@@]4([H])CC(CCC34C)OC(=O)CC[NH+]3CCCC(C)(C)C3)C1CC=C2C(C)=O
MCULE-3081259506 0.60 [C@@]12(CCOC[C@H]1CN(CC(C)(C)N1CCOCC1)C2)C(O)=O
MCULE-4942345876 0.60 C1(CCCCC1)(N1CCOCC1)C(CN)C(OCC)=O
MCULE-8076064319 0.60 OC(C1CC2(OCCC(NC(C3(CCCCC3)O)=O)C2)C1)=O
MCULE-3769552905 0.60 CC(C(=O)O)(CNC(CCC1OCCC1)=O)O
MCULE-6147901497 0.60 CCC1C2(C(C(N)=O)CNC2)COC1
MCULE-9482796143 0.60 Cl.O=C1CCC2(CCCNC2)O1
MCULE-6019164202 0.60 CC1CCC(N2C(=O)CC(C(OCC(C)(C)C)=O)C2)CC1
MCULE-4839693973 0.60 OCC1(NC([C@H]2[C@H]3O[C@H](CC3)C2)=O)C2CCC(CC2)C1
MCULE-5065600593 0.60 CC1C(C)C2(C(C(N)=O)CNC2)CO1
MCULE-4206140486 0.60 CC(C1C2(C(C(N)=O)CNC2)COC1)C
MCULE-1310239871 0.60 N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2
MCULE-4809992828 0.60 O=C(C1CC(=O)N(C2CCCC2)C1)OC1CCCC1
MCULE-9973484779 0.60 C1(CCCC1)(N1CCOCC1)C(CN)C(OCC)=O
MCULE-5260058242 0.60 OC(C(CN1C2COCC1CC2)=C)=O
MCULE-5918538412 0.60 CCOC(C1CN(C2C(=O)OC(C)C2)CCC1)=O
MCULE-9040445784 0.60 OC(C1(CCC1)CC(NC1C2C(OCC2)CCC1)=O)=O
MCULE-6481496739 0.60 OC(C1CC2(OCCC(NC(C3(CCCC3)O)=O)C2)C1)=O
MCULE-9912357693 0.60 OC(CC1(NC(CCC2OCCCC2)=O)CCOCC1)=O
MCULE-6488909651 0.60 CC1OC(CCC(NCC(C(=O)O)(O)C)=O)CC1
MCULE-5972129470 0.60 [C@@]12(CCOC[C@H]1CN(C(=O)CC(CC)CC)C2)C(O)=O
MCULE-2450798297 0.60 C1CC2C(CCC[N+]2(CC1)C)COC(COC)=O
MCULE-8166713140 0.60 OC(C1N(CC23COCC2C3)CC1)=O
MCULE-5183658192 0.60 CC(C1C(CNC(C2(CC2)O)=O)CCCO1)C
MCULE-8095910128 0.60 C1[C@@H]([C@H]([C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C1)C)C)NC(=O)CC(C)(C)C
MCULE-8280017265 0.60 CCOC1C(C)(C)C(NC(C2CC2)=O)(CO)C1
MCULE-1683768792 0.60 CC1(C2C(CCO2)C1NC(C1CC1)=O)C
MCULE-3206021548 0.60 CC(C1C(CNC(C2(CC2)O)=O)CCCO1)(C)C
MCULE-7578638971 0.60 OC(CCN1C2COCC1CC2)=O
MCULE-2325592231 0.60 COC1C2(CCC2)C(NCC2(C(N)=O)CCOCC2)C1
MCULE-3653915287 0.60 OC(CN1CC2C(C3OC2CC3)C1)COC1CCOCC1
MCULE-2510117782 0.60 COC(C(CC1CC1)CNC1COCC1)=O
MCULE-8021884146 0.60 CC(OC(CCN1CC2(CCC2)COCC1)=O)(C)C
MCULE-3612364559 0.60 CC(N1C2C(COC2)CCC1)CC(C)=O
MCULE-1907678833 0.60 C1(CCCC1)(N1CCCCC1)C(CN)C(OCC)=O
MCULE-3242621239 0.60 CC(C(O)=O)(CN1C2COCC1CC2)C
MCULE-2303829925 0.60 OC1(C(N2CC3C(COC3)CC2)=O)CC1
MCULE-7190356293 0.60 C1[C@@H]([C@H]([C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C1)C)C)NC(=O)C1CCCCC1
MCULE-9503822849 0.60 CCOC1C2(CCOCC2)C(NC(C2CC2)=O)C1
MCULE-7902731091 0.60 O=C1CCN(C2CC3(CCC3)OC2)CC1
MCULE-9580622039 0.60 CC(OC1C2(CCC2)C(NC(C2(CC2)O)=O)C1)(C)C
MCULE-3553899516 0.60 C1CCN2CCCC(COC(COC)=O)C2C1
MCULE-7195118305 0.60 CC(C(O)=O)CN1C2COCC1CC2
MCULE-2260385293 0.60 C1(CCCCC1)(N1CCCCC1)C(CN)C(OCC)=O
MCULE-4333923542 0.60 CCOC(CCCCCN1CC(O)CCC1)=O
MCULE-7573616515 0.60 COC(C1(CCOCC1)CNCC(C)(C)C)=O
MCULE-6024426173 0.60 NCC(CN1CC2C(COC2)CC1)O
MCULE-7379252915 0.60 C(N1CC2C(COC2)CC1)C1OC1
MCULE-6272742349 0.60 C(N1CC2C(COC2)CC1)[C@H]1OC1