2426 SMILES Strings for Protein arginine N-methyltransferase 5
Compound Name
SMILES String
Brc1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
C(Nc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1)C1CCCCN1
C(Nc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1)C1CCNCC1
C(Oc1ccc(cc1)-c1cc2c(NC3CCNCC3)ncnc2[nH]1)c1ccccc1
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cn[nH]c1)c1ccccc1
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |t:20|
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)N1CCC2(COC2)CC1)c1ccccc1
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)N1CCCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)N1CCN(CC1)C1COC1)c1ccccc1
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)N1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)N1CCOCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |t:20|
C(Oc1ccc(cc1)-c1nc2c(ncnc2[nH]1)N1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2c(ncnc2[nH]1)N1CCOCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2cc(cnc2[nH]1)N1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(CN3CCNCC3)nc2[nH]1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(NC3CCNCC3)nc2[nH]1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(Nc3cn[nH]c3)nc2[nH]1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(OC3CCNCC3)nc2[nH]1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)-c1cccnc1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)-c1ccncc1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)-c1cncnc1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1=CCNCC1)c1ccccc1 |t:20|
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCOCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCSCC1)c1ccccc1
C(Oc1ccc(cc1)-c1nc2ncccc2[nH]1)c1ccccc1
C(Oc1ccc(cc1-c1cccnc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1)c1ccccc1
C(Oc1ccccc1)c1ccc(cc1)-c1nc2cc(cnc2[nH]1)C1CCCNC1
C(Oc1ccccc1)c1ccc(cc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
C(Oc1ccccc1)c1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CCCNC1
C(Oc1ccccc1)c1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CCNCC1
C(Oc1ccccc1)c1ccc(cc1)-c1nc2cccnc2[nH]1
C(Oc1ccccc1)c1nc(cs1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
C(Sc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1)c1ccccc1
C(c1ccccc1)n1cc(cn1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
CC(=O)C1CCN(CC1)c1cnc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
CC(=O)N1C2CCC1CC(C2)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1C2CCC1CC(C2)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1 |TLB:1:3:8.9.10:5.6|
CC(=O)N1C2CCC1CC(C2)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |TLB:1:3:8.9.10:5.6|
CC(=O)N1CC(C1)Nc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(C)cn1 |r|
CC(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(cnn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(nc(C)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(nc(n1)C(C)(C)C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(nc(n1)C(F)(F)F)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(nc(n1)N1CCCCC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(nc(n1)N1CCOCC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NCC(F)CN1CCc2ccccc2C1
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NCC(N)CN1CCc2ccccc2C1
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NCCCN1CCc2ccccc2C1
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCCc2ccccc12 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2c(C)cccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2cc(C)ccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccc(C)cc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2cccc(C)c2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc12 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1(C)C |r|
CC(=O)N1CC(C1)Nc1ccnc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Nc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Oc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC(C1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CC(C1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CC2(CC(C2)Nc2ccc3c(c2)C(=O)N(C[C@H](O)CN2CCc4ccccc4C2)CC32CC2)C1 |r|
CC(=O)N1CC2(CC(C2)Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CC(=O)N1CC2CCC(C1)C2Nc1cccc(c1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC(=O)N1CCC(=CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |c:6|
CC(=O)N1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:6|
CC(=O)N1CCC(=CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1 |c:6|
CC(=O)N1CCC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(C1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(C1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(C1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(=O)N1CCC(CC1)Nc1cc(cc(n1)N1CCN(CC1)C(C)=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(cc(n1)N1CCOCC1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NCC(F)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NCCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NCCCN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CC(O)c2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCCCc2ccccc12 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2c(C)cccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2cc(C)ccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccc(C)cc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2cccc(C)c2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc12 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(nc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)N1CCN(CC1)C(C)=O |r|
CC(=O)N1CCC(CC1)Nc1cc(nc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)N1CCOCC1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(C)(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(F)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(N)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCCCN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCCc2ccccc12 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2c(C)cccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2cc(C)ccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccc(C)cc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2cccc(C)c2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc12 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1(C)C |r|
CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cc2C(=O)N(C[C@@H](O)[C@@H]3Cc4ccccc4CN3)CC(C)(C)c2cn1 |r|
CC(=O)N1CCC(CC1)Nc1cc2C(=O)N(C[C@@H](O)[C@@H]3Cc4ccccc4CN3)CCc2cn1 |r|
CC(=O)N1CCC(CC1)Nc1cc2C(=O)N(C[C@H](O)CN3CCc4ccccc4C3)CC3(CC3)c2cn1 |r|
CC(=O)N1CCC(CC1)Nc1cc2C(=O)N(C[C@H](O)[C@@H]3Cc4ccccc4CN3)CC(C)(C)c2cn1 |r|
CC(=O)N1CCC(CC1)Nc1cc2C(=O)N(C[C@H](O)[C@@H]3Cc4ccccc4CN3)CCc2cn1 |r|
CC(=O)N1CCC(CC1)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1ccc(cc1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1ccc2c(c1)C(=O)N(C[C@H](O)CN1CCc3ccccc3C1)CC21CC1 |r|
CC(=O)N1CCC(CC1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1cccc(c1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cccc(n1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Nc1ccnc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Nc1nccc(C(=O)NC[C@@H](O)CNC2CC3C=CC=CC3C2)c1C |r,c:27,29|
CC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
CC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@H](O)CNC1Cc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Oc1cc(cnn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(=O)N1CCC(CC1)Oc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CCC(CC1)Oc1ccccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(=O)N1CCC(CC1)Oc1cncc(c1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Oc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC(CC1)Oc1cncc(n1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)Oc1nccc(C(=O)NC[C@@H](O)CNC2Cc3ccccc3C2)c1Cl |r|
CC(=O)N1CCC(CC1)Oc1nccc(n1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCC(CC1)c1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
CC(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nn1
CC(=O)N1CCC(CC1)c1cnc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
CC(=O)N1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(COc2ccccc2)cc1
CC(=O)N1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(OCc2ccccc2)cc1
CC(=O)N1CCC(CC1)c1nc2cc(ccc2[nH]1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(=O)N1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CC(=O)N1CCC(Cc2cncc(c2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 |r|
CC(=O)N1CCC2(CCCN2C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)CC1 |r|
CC(=O)N1CCCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CCCC(C1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CCC[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCC[C@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
CC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCN(CC1)c1ccc(CN2CCN(CC(O)CN3CCc4cccc(F)c4C3)C2=O)nc1
CC(=O)N1CCN(CC1)c1ccc(CN2CCN(CC(O)CN3CCc4sccc4C3)C2=O)nc1
CC(=O)N1CCN(CC1)c1ccc(CN2CCN(CC(O)CN3CCn4cccc4C3)C2=O)nc1
CC(=O)N1CCN(CC1)c1ccc(CN2CCN(CC(O)CN3Cc4ccccc4C3)C2=O)nc1
CC(=O)N1CCN(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(=O)N1CCN(CC1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCN(CC1)c1cnc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
CC(=O)N1CCN(CC1)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CCN(Cc2ccc3c(OC(C)(C)CN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CC(=O)N1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CC(=O)N1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CC(=O)N1CC[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC[C@@H](C1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC[C@@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CC[C@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC[C@H](C1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(=O)N1CC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)N1CCc2cc(ccc2C1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)N1CCc2ccc(cc2C1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(=O)NCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CC(=O)NCCNc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:4.3,21.23,wD:7.10,(-12.67,-2.31,;-11.34,-1.54,;-11.34,,;-10,-2.31,;-8.67,-1.54,;-8.67,,;-7.34,.77,;-6,,;-6,-1.54,;-7.34,-2.31,;-4.67,.77,;-3.33,,;-2,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;.67,.77,;.67,2.31,;2,,;3.33,.77,;4.67,,;4.67,-1.54,;6,.77,;7.34,,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;11.34,-2.31,;12.67,-1.54,;12.67,,;11.34,.77,;10,,;8.67,.77,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:4.3,7.10,21.23,(-12.67,-2.31,;-11.34,-1.54,;-11.34,,;-10,-2.31,;-8.67,-1.54,;-8.67,,;-7.34,.77,;-6,,;-6,-1.54,;-7.34,-2.31,;-4.67,.77,;-3.33,,;-2,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;.67,.77,;.67,2.31,;2,,;3.33,.77,;4.67,,;4.67,-1.54,;6,.77,;7.34,,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;11.34,-2.31,;12.67,-1.54,;12.67,,;11.34,.77,;10,,;8.67,.77,)|
CC(=O)N[C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,4.3,wD:6.8,(-12.28,-1.86,;-10.95,-1.09,;-10.95,.45,;-9.61,-1.86,;-8.28,-1.09,;-7.88,.4,;-6.39,,;-6.79,-1.49,;-5.06,.77,;-3.72,,;-2.39,.77,;-1.06,,;-1.06,-1.54,;-2.39,-2.31,;-3.72,-1.54,;.28,.77,;.28,2.31,;1.61,,;2.94,.77,;4.28,,;4.28,-1.54,;5.61,.77,;6.94,,;6.94,-1.54,;8.28,-2.31,;9.61,-1.54,;10.95,-2.31,;12.28,-1.54,;12.28,,;10.95,.77,;9.61,,;8.28,.77,)|
CC(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
CC(=O)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)Nc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
CC(=O)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)Nc1cccnc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)Nc1ccncc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)Nc1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,wD:6.9,3.2,(-12,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-.77,;-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;9.34,.77,;8,1.54,)|
CC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:3.2,20.22,wD:6.9,(-12,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-.77,;-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;9.34,.77,;8,1.54,)|
CC(C(O)CNC(=O)c1cc(NC2CCN(CC2)C(C)=O)ncn1)N1CCc2ccccc2C1
CC(C(O)CNC(=O)c1cc(NC2CN(C2)C(C)=O)ncn1)N1CCc2ccccc2C1
CC(C(O)CNC(=O)c1cc(NC2COC2)ncn1)N1CCc2ccccc2C1
CC(C(O)CNC(=O)c1ccnc(NC2CCN(CC2)C(C)=O)c1)N1CCc2ccccc2C1
CC(C)(C)C(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)C(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)C(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)C(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)C(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)N1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)OC(=O)N1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:10|
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(C)(C)OC(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCC(CNc2ccc3nc([nH]c3n2)-c2ccc(OCc3ccccc3)cc2)CC1
CC(C)(C)OC(=O)N1CCCC(C1)c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCCC(C1)c1cnc2[nH]c(nc2c1)-c1ccc(COc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCCCC1CNc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(SCc2ccccc2)cc1
CC(C)(C)OC(=O)NCC1CCCN(C1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCC(O)CN1Cc2ccccc2C1
CC(C)(C)OC(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)(C)c1cc(Nc2cc(ccn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n[nH]1 |r|
CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCCn3ccc4c(N)ncnc34)n2)cc1
CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(N)nccc4c3)n2)cc1
CC(C)(C)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(C1CCN(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C(O)=O
CC(C)(O)CN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)(O)CN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(C)(O)CNCC1CN2C=NC(=CC2=N1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,c:10,12,15|
CC(C)(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)(Oc1ccccc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)C(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)C(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)C(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)C(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)C(=O)N1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)CC(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)CN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)COC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(C)C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)CCl)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCC#C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
CC(C)Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(C)Cc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)N(C)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(C)N(C)CCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(C)N1CC2(C1)Oc1ccc(cc1NC2=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)N1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:6|
CC(C)N1CCC(C1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)N1CCC(C1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)N1CCC(CC1)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)N1CCC(CC1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(C)N1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(C)N1CCC[C@H]1COc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(C)N1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)N1CCN(CC1)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)N1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)NC(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(C)NCCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)NCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)OC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(C)Oc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
CC(C)Oc1cc(ccn1)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
CC(C)Oc1cc(ccn1)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC(C)Oc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(C)Oc1ccc(cn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CC(C)Oc1ccccc1C(=O)NCC(O)CNC1Cc2ccccc2C1
CC(C)Oc1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)Oc1nc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
CC(C)[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
CC(C)c1ccc(cc1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1ccc2c(C)ncnc12 |r|
CC(C)c1nc(NC2CN(C2)C(C)=O)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC(C)n1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O
CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
CC(CNC(=O)Nc1ccc(cc1)C(C)(C)C)CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC(CNC(=O)c1cc(NC2CCN(CC2)C(C)=O)ncn1)CN1CCc2ccccc2C1
CC(CNC(=O)c1cc(NC2CN(C2)C(C)=O)ncn1)CN1CCc2ccccc2C1
CC(CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1
CC(CNC(=O)c1ccnc(NC2CCN(CC2)C(C)=O)c1)CN1CCc2ccccc2C1
CC(F)(F)c1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(F)c3c(N)ncnc23)c1 |r|
CC(N1CC2(COC2)C1)c1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|
CC(N1CC2(COC2)C1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(N1CCN(C)CC1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(N1CCOCC1)c1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|
CC(N1CCOCC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(NC(=O)COc1ccccc1S(N)(=O)=O)C(O)CN1CCc2ccccc2C1
CC(NC(=O)c1cc(NC2CCN(C)CC2)ncn1)C(O)CN1CCc2ccccc2C1
CC(NC(=O)c1cc(NC2CCN(CC2)C(=O)C2CC2)ncn1)C(O)CN1CCc2ccccc2C1
CC(NC(=O)c1cc(NC2CCN(CC2)C(C)=O)ncn1)C(O)CN1CCc2ccccc2C1
CC(NC(=O)c1cc(NC2CCNCC2)ncn1)C(O)CN1CCc2ccccc2C1
CC(NC(=O)c1cc(NC2CN(C2)C(C)=O)ncn1)C(O)CN1CCc2ccccc2C1
CC(NC(=O)c1cc(NC2COC2)ncn1)[C@@H](O)CN1CCc2ccccc2C1 |r|
CC(NC(=O)c1cc(NC2COC2)ncn1)[C@H](O)CN1CCc2ccccc2C1 |r|
CC(NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)[C@@H](O)[C@@H]1Cc2ccccc2CN1
CC(Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1)C1CCOCC1
CC(O)(C(=O)NCC(O)CN1CCc2ccccc2C1)c1ccccc1
CC(O)(CNC(=O)c1cc(NC2CCN(CC2)C(=O)C2CC2)ncn1)CN1CCc2ccccc2C1
CC(O)(CNC(=O)c1cc(NC2CCNCC2)ncn1)CN1CCc2ccccc2C1
CC(O)(CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1
CC(O)C#Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(O)CN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|
CC(O)CN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(O)CN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC(O)CN1CC[C@@H](Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)[C@H](F)C1 |r|
CC(O)[C@@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1ccc2c(C)ncnc12 |r|
CC(Oc1ccc(-c2cc3c(ncnc3[nH]2)C2=CCNCC2)c(F)c1)c1ccccc1 |t:18|
CC(Oc1ccc(-c2nc3c(ncnc3[nH]2)C2=CCNCC2)c(F)c1)c1ccccc1 |t:18|
CC(Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |t:21|
CC(Oc1ccc(cc1)-c1nc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |t:21|
CC(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1)c1ccccc1
CC(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(Oc1ccccc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(Oc1ccccc1NS(C)(=O)=O)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(Oc1ccccc1S(C)(=O)=O)C(=O)NCC(O)CN1CCc2ccccc2C1
CC(Oc1ccccc1S(N)(=O)=O)C(=O)NCC(O)CN1CCc2ccccc2C1
CC1(C)CC(CC(C)(C)N1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC1(C)CC(CCO1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CC1(C)CN(CCO1)C(=O)c1ccc(cc1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CC1(C)CN(CCO1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CC4(COC4)C3)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCC4(COC4)C3)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCCC3)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCCCC3)nc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCN(CC3)C3COC3)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCN(CC3)C=O)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCOCC3)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCOCC3)nc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C=O)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)CC3(F)F)nc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)CC3)nc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(C3)C=O)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OCc3ccncc3)cc2O1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1C2CCC1COC2 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1CC2CC1CO2 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1CCN2CCCC2C1 |r|
CC1(C)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc2O1)C(=O)N1CCn2cccc2C1 |r|
CC1(C)COCCN1C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC1(C)N(CC(O)CN2CCc3ccccc3C2)C(=O)N(Cc2ccc(nc2)C2CC2)C1=O
CC1(C)N(C[C@@H](O)CNC(=O)c2cc(NC3COC3)ncn2)CCc2ccccc12 |r|
CC1(C)O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n1cnc2c(Cl)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|
CC1(C)O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)c1ccc(F)cc1)c1scc2c(N)ncnc12 |r|
CC1(CN2CCC(CC2)Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)COC1 |r|
CC1(COC1)C(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC1(O)CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CC1(O)CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
CC1(O)CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CC1=NN(C(=O)C1)c1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1 |t:1|
CC1CC(C)CN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CC1CC(CC(C)O1)Nc1cccc(c1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
CC1CC(CCN1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|
CC1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CC1CN(CC(C)O1)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC1CN(CCN1c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)C(C)=O
CC1CN(CCO1)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC1CN(C[C@@H](O)CNC(=O)c2ccnc(NC3CCN(CC3)C(C)=O)c2)Cc2ccccc12 |r|
CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)cc2O1 |r|
CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)nc2O1 |r|
CC1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCNCC3)cc2O1 |r|
CC1CN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CCO1 |r|
CC1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3cc(F)c4c(N)ncnc34)cc(C(F)F)c(F)c12 |r|
CC1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)cc(C(F)F)c(F)c12 |r|
CC1COCC(C)N1C(=O)c1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC1COCCC1c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1 |r|
CC1COCCC1c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CC1COCCN1C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CC1Cc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2CN1 |r|
CC1Cc2ccccc2CN1C[C@@H](O)CNC(=O)c1ccnc(NC2CCN(CC2)C(C)=O)c1 |r|
CC1N(C[C@@H](O)CNC(=O)c2cc(NC3CCN(CC3)C(C)=O)ncn2)CCc2ccccc12 |r|
CC1N(C[C@@H](O)CNC(=O)c2cc(NC3CN(C3)C(C)=O)ncn2)CCc2ccccc12 |r|
CC1N(C[C@@H](O)CNC(=O)c2cc(NC3COC3)ncn2)CCc2ccccc12 |r|
CC1N(C[C@@H](O)CNC(=O)c2ccnc(NC3CCN(CC3)C(C)=O)c2)CCc2ccccc12 |r|
CC1NCCc2c(F)ccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c12 |r|
CCC(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCC(=O)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCC(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CCC(=O)N1CCN(CC1)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCC(=O)N1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCC(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCC1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCCC(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCCC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCCC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCCCC\N=C(/N)NN\C=C1/C=Nc2ccc(CO)cc12 |c:12|
CCCN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCCOc1ccccc1C(=O)NCC(O)CNC1Cc2ccccc2C1
CCC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)nc(N)nc12
CCC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCC[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
CCCc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCCn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O
CCN(C)CCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCN(C)[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:21.23,wD:7.10,4.3,(-12.67,-1.54,;-11.34,-.77,;-10,-1.54,;-10,-3.08,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,)|
CCN(C)[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:21.23,4.3,wD:7.10,(-12.67,-1.54,;-11.34,-.77,;-10,-1.54,;-10,-3.08,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,)|
CCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
CCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12
CCN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCN(C1CCOCC1)c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1C
CCN(C1CCOCC1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CCN(CC)C(=O)COc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN(CC)CCNC1CCCc2c1[nH]c1ccc(C)cc21
CCN(CC)Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN1C2CCC1CC(C2)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN1C2CCC1CC(C2)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|
CCN1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN1CC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CCN1CC2(CC(C2)Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CCN1CCC(=CC1)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,c:5|
CCN1CCC(CC1)Oc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN1CCC(CC1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|
CCN1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CCN1CCC(Oc2ccc3c(c2)N(C)CCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)C(F)C1 |r|
CCN1CCCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCN1CCN(CC1)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCN1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCN1CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
CCN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(Br)cc12 |r|
CCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CCN1CCOC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CCN1CC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCNC(=O)NCCCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CCNC(=O)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCNCCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCNCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCOC(=O)C(C)(C)C1CCN(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CCOC(=O)CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CCOC(=O)Cc1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
CCOC(=O)Cc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CCOC(=O)Cc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
CCOC(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(CCc2ccccc2)c2ccccc32)sc2CN(C)CCc12
CCOCCN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCOCc1cc([nH]n1)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
CCOc1c(C)c(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCOCC1 |r|
CCOc1c(C)c(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1CCOCC1 |r|
CCOc1c(NC2CCN(CC2)C(C)=O)nccc1C(=O)OCc1ccccc1
CCOc1cc(C(=O)N2C3CCC2COC3)c(F)cc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CCOc1cc(C(=O)N2C3CCC2COC3)c(F)cc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r,TLB:6:8:10.11:13.15.14|
CCOc1cc(C(=O)N2CCOCC2)c(C)cc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CCOc1cc(CC(=O)N2C3CCC2COC3)ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CCOc1cc(CC(=O)N2C3CCC2COC3)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CCOc1cc(CC(=O)N2CCCC2)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CCOc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
CCOc1cc(cc2c(CN)n[nH]c(=O)c12)-c1cnn(C)c1-c1sc2ccccc2c1C#N |(3.45,-4.41,;3.45,-2.87,;2.12,-2.1,;2.12,-.56,;.78,.2,;.78,1.75,;2.11,2.52,;3.44,1.75,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,;3.44,.21,;-.55,2.52,;-.89,4.01,;-2.43,4.19,;-3.04,2.81,;-4.53,2.42,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,)|
CCOc1cc(ccc1C(=O)N(C)C[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2
CCOc1cc(ccc1C(=O)NCC(O)c1cc2ccccc2cn1)C(=O)N1C2COCC1CC(O)C2
CCOc1cc(ccc1C(=O)NC[C@@H](C)[C@@H]1Cc2ccc(OC)cc2CN1)C(=O)N1C2CCC1COC2 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](C)[C@@H]1Cc2ccc(OC)cc2CN1C)C(=O)N1C2CCC1COC2 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)-c1nnc(C)o1 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2CCC1COC2 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2COCC1CC(O)C2 |THB:36:35:28:30.31.32|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCCC1 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCOCC1 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCOC[C@@H]1CC |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCOC[C@H]1C |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCS(=O)(=O)CC1 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C[C@H]2C[C@@H]1CO2 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2cc(C)ccc2CN1)C(=O)N1C2CCC1COC2
CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccc(C)cc2CN1)C(=O)N1C2CCC1COC2
CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)-c1nnc(C)o1 |r|
CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2
CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCCC1COC2
CCOc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2COCC1CC(O)C2 |TLB:25:27:29.30.31:33.34.36|
CCOc1cc(ncc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2CCC1COC2 |r|
CCOc1cc(ncc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2 |r|
CCOc1ccc2c(CCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CCOc1ccccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CCOc1cnc(CC2CCN(CC2)C(C)=O)cc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CCOc1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCOc1nc(OC2CCN(CC2)C(C)=O)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CCOc1nc(OCc2ccccc2)ccc1C(=O)NC[C@@H](O)CNC1CC2C=CC=CC2C1 |r,c:30,32|
CCOc1nc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2CCC1COC2 |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2 |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCC(O)CC1 |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCCOCC1 |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCN(CC1)C(=O)OC |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCN(CC1)C(C)=O |r|
CCOc1nc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)N1CCOCC1
CCS(=O)(=O)CCN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCS(=O)(=O)CCNCC1CN2C=NC(=CC2=N1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,c:12,14,17|
CCS(=O)(=O)CCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCS(=O)(=O)N1CCC(=CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1 |c:8|
CCS(=O)(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CCS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(C)c1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(OC)c1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1cccnc1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1ccn[nH]1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1cn[nH]c1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1cncnc1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1cnn(C)c1
CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CCSCCN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCSCCN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCSCCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)nc(N)nc12
CC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
CC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC[C@@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(Cl)ncc12 |r|
CC[C@@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(CC3)C(C)=O)ncc12 |r|
CC[C@@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(Cl)ncc12 |r|
CC[C@@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(CC3)C(C)=O)ncc12 |r|
CC[C@@H]1COCCN1C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
CC[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC[C@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(Cl)ncc12 |r|
CC[C@H]1CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(CC3)C(C)=O)ncc12 |r|
CC[C@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(Cl)ncc12 |r|
CC[C@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(CC3)C(C)=O)ncc12 |r|
CC[C@H]1COCCN1C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
CCc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(F)c3c(N)ncnc23)c1 |r|
CCc1ccc2oc(nc2c1)-c1cc(ccc1O)\N=C\c1cccc(C)c1O
CCc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.39,-2.06,;-5.3,-3.15,;-3.81,-2.75,;-2.72,-3.84,;-1.23,-3.44,;-.84,-1.95,;-1.93,-.86,;-1.53,.62,;-.28,1.53,;-.76,2.99,;-2.3,2.99,;-2.77,1.53,;-4.11,.76,;1.05,.76,;1.05,-.78,;2.39,-1.55,;3.72,-.78,;3.72,.76,;2.39,1.53,;5.05,1.53,;5.05,3.07,;3.72,3.84,;6.39,.76,;6.39,-.78,;5.05,-1.55,;5.05,-3.09,;-3.5,-1.22,;-4.6,-.14,;-5.7,.93,)|
CCc1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CCc1nn(C[C@@H](O)CNC2Cc3ccccc3C2)c(=O)c2ccc(cc12)C(=O)N1C2CCC1COC2 |r|
CCc1nn(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)c(=O)c2ccc(cc12)C(=O)N1C2CCC1COC2 |r|
CCn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CC)c2cccc3cccc1c23
CCn1c2ccccc2c2cc(CNC3CCCc4ccccc34)ccc12
CCn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O
CN(C(=O)c1cccc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1ccnn1Cc1ccc2cc(C)c(N)nc2c1)c1ncccc1F
CN(C(=O)c1cn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1cn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccn1
CN(C(=O)c1cn(C)c(=O)n1Cc1cnc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1cnnn1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1coc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1nccc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1nn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C(=O)c1nn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccn1
CN(C(=O)c1noc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
CN(C)C(=O)C1CCN(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CN(C)C(=O)CCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CN(C)C(=O)CN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)C(=O)CN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)C(=O)CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CN(C)C(=O)CNCCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)C(=O)CNCc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)C(=O)Cc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
CN(C)C(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:22.24,wD:5.4,8.11,(-12.67,-1.54,;-11.34,-.77,;-11.34,.77,;-10,-1.54,;-10,-3.08,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,)|
CN(C)C(=O)[C@@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,wD:7.9,5.4,(-12.28,-1.31,;-10.95,-.54,;-10.95,1,;-9.61,-1.31,;-9.61,-2.85,;-8.28,-.54,;-7.88,.94,;-6.39,.54,;-6.79,-.94,;-5.06,1.31,;-3.72,.54,;-2.39,1.31,;-1.06,.54,;-1.06,-1,;-2.39,-1.77,;-3.72,-1,;.28,1.31,;.28,2.85,;1.61,.54,;2.94,1.31,;4.28,.54,;4.28,-1,;5.61,1.31,;6.94,.54,;6.94,-1,;8.28,-1.77,;9.61,-1,;10.95,-1.77,;12.28,-1,;12.28,.54,;10.95,1.31,;9.61,.54,;8.28,1.31,)|
CN(C)C(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:22.24,5.4,wD:8.11,(-12.67,-1.54,;-11.34,-.77,;-11.34,.77,;-10,-1.54,;-10,-3.08,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,)|
CN(C)C(=O)[C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,5.4,wD:7.9,(-12.28,-1.31,;-10.95,-.54,;-10.95,1,;-9.61,-1.31,;-9.61,-2.85,;-8.28,-.54,;-7.88,.94,;-6.39,.54,;-6.79,-.94,;-5.06,1.31,;-3.72,.54,;-2.39,1.31,;-1.06,.54,;-1.06,-1,;-2.39,-1.77,;-3.72,-1,;.28,1.31,;.28,2.85,;1.61,.54,;2.94,1.31,;4.28,.54,;4.28,-1,;5.61,1.31,;6.94,.54,;6.94,-1,;8.28,-1.77,;9.61,-1,;10.95,-1.77,;12.28,-1,;12.28,.54,;10.95,1.31,;9.61,.54,;8.28,1.31,)|
CN(C)C(=O)c1ccc(cc1)-c1cc(Nc2ncnc(Cl)c2N)c(cc1F)N1CCN(C)CC1
CN(C)C(=O)c1ccc(cc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
CN(C)C(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)CCCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCCOc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)CCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCN(C)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCN(C)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCN(C)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
CN(C)CCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCOc1cc(cc(NC2CCN(CC2)C(C)=O)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCOc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCOc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN(C)CCOc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)CCOc1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
CN(C)CCOc1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)Cc1cc(F)ccc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CN(C)Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN(C)S(=O)(=O)C1CCN(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
CN(C)S(=O)(=O)C1CCN(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
CN(C)[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,wD:6.9,3.2,(-12,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-.77,;-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;9.34,.77,;8,1.54,)|
CN(C)[C@@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:18.20,wD:5.7,3.2,(-11.61,-.54,;-10.28,-1.31,;-10.28,-2.85,;-8.95,-.54,;-8.55,.94,;-7.06,.54,;-7.46,-.94,;-5.73,1.31,;-4.39,.54,;-3.06,1.31,;-1.72,.54,;-1.72,-1,;-3.06,-1.77,;-4.39,-1,;-.39,1.31,;-.39,2.85,;.94,.54,;2.28,1.31,;3.61,.54,;3.61,-1,;4.94,1.31,;6.28,.54,;6.28,-1,;7.61,-1.77,;8.95,-1,;10.28,-1.77,;11.61,-1,;11.61,.54,;10.28,1.31,;8.95,.54,;7.61,1.31,)|
CN(C)[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:3.2,20.22,wD:6.9,(-12,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-.77,;-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;9.34,.77,;8,1.54,)|
CN(C)[C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:18.20,3.2,wD:5.7,(-11.61,-.54,;-10.28,-1.31,;-10.28,-2.85,;-8.95,-.54,;-8.55,.94,;-7.06,.54,;-7.46,-.94,;-5.73,1.31,;-4.39,.54,;-3.06,1.31,;-1.72,.54,;-1.72,-1,;-3.06,-1.77,;-4.39,-1,;-.39,1.31,;-.39,2.85,;.94,.54,;2.28,1.31,;3.61,.54,;3.61,-1,;4.94,1.31,;6.28,.54,;6.28,-1,;7.61,-1.77,;8.95,-1,;10.28,-1.77,;11.61,-1,;11.61,.54,;10.28,1.31,;8.95,.54,;7.61,1.31,)|
CN(C)c1cc(NC2CCN(CC2)C(C)=O)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)c1cc(cc(NC2CCN(CC2)C(C)=O)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)c1cc(ccn1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CN(C)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
CN(C)c1ccc(cc1)N1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)C1 |r|
CN(C)c1ccc2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2n1 |r|
CN(C)c1ccc2cccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2n1 |r|
CN(C)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1S(N)(=O)=O
CN(C)c1ccccc1N1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)C1 |r|
CN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)c1cccnc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
CN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
CN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12
CN(C)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C)c1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN(C1CCC1)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C1CCCC1)c1cc(ccn1)C(=O)NCC(O)CNC1Cc2ccccc2C1
CN(C1CCCN(C1)C(=O)OC(C)(C)C)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CN(C1CCN(C)C1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C1CCN(C)CC1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CN(C1CCOC1)c1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C1CCOCC1)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C1CCOCC1)c1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(C1CCOCC1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(C1COC1)C1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,wD:23.25,(-5.15,13.79,;-6.49,13.02,;-7.82,13.79,;-9.15,13.02,;-9.7,14.63,;-8.3,15.25,;-6.49,11.48,;-7.82,10.71,;-7.82,9.17,;-6.49,8.4,;-5.15,9.17,;-5.15,10.71,;-6.49,6.86,;-5.15,6.09,;-5.15,4.55,;-3.82,3.78,;-2.48,4.55,;-2.48,6.09,;-1.28,7.05,;.22,6.71,;.89,5.32,;.22,3.93,;1.18,2.73,;2.7,2.96,;3.27,4.39,;3.66,1.75,;5.19,1.98,;6.15,.78,;7.67,1.01,;8.23,2.44,;9.76,2.67,;10.32,4.1,;9.36,5.31,;7.83,5.08,;7.27,3.65,;5.75,3.42,;-1.28,3.59,;-1.62,2.09,;-3.82,6.86,)|
CN(C1COC1)c1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(CC(N)=O)Cc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN(CC(O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1
CN(CC(O)CN1CCc2ccccc2C1)C(=O)COc1ccccc1
CN(CC(O)CN1CCc2ccccc2C1)C(=O)c1cccc(NC2CCOCC2)c1
CN(CC(O)CNC(=O)c1ccc(Cl)cc1)C1CCc2ccccc2C1
CN(CCF)C1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r,wU:22.23,(-8.7,3.62,;-9.1,2.13,;-10.59,1.74,;-11.68,2.82,;-13.16,2.43,;-8.01,1.04,;-6.52,1.44,;-5.44,.35,;-5.83,-1.13,;-7.32,-1.53,;-8.41,-.44,;-4.74,-2.22,;-3.26,-1.82,;-2.91,-.32,;-1.44,.13,;-.31,-.92,;-.66,-2.42,;.3,-3.62,;1.84,-3.62,;2.8,-2.42,;2.46,-.92,;3.55,.17,;5.04,-.23,;5.44,-1.71,;6.13,.86,;7.61,.46,;8.01,-1.02,;9.5,-1.42,;10.59,-.33,;12.08,-.73,;13.16,.36,;12.77,1.85,;11.28,2.24,;10.19,1.16,;8.7,1.55,;1.07,-.25,;1.07,1.29,;-2.13,-2.87,)|
CN(CCN(C)S(C)(=O)=O)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(CCN(C)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)=O |r|
CN(CCN)Cc1ccccc1Sc1ccccc1Cl
CN(CCN)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(CCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1)C(C)=O
CN(CCNCC(F)(F)F)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(CCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)=O |r|
CN(CCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)S(C)(=O)=O |r|
CN(CCO)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN(CCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1)CC(N)=O
CN(C[C@@H](O)CNC1Cc2ccccc2C1)C(=O)c1ccc(cc1)C(=O)N1CCOCC1 |r|
CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cc(NC2CCOCC2)ncn1 |r|
CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cc(NC2COC2)ncn1 |r|
CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cc(ncn1)N(C)C1CCOCC1 |r|
CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cccc(NC2CCOCC2)c1 |r|
CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(NC2CCOCC2)c1 |r|
CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1ccnc(c1)N(C)C1CCOCC1 |r|
CN(C[C@H](O)CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C1Cc2ccccc2C1 |r|
CN([C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)=O |r,wU:19.21,wD:5.8,2.1,(-10,-3.08,;-10,-1.54,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,;-11.34,-.77,;-12.67,-1.54,;-11.34,.77,)|
CN([C@@H]1C[C@@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1cc(N)ncn1 |r|
CN([C@@H]1C[C@@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ccncn1 |r|
CN([C@@H]1C[C@@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ncnc(C)n1 |r|
CN([C@@H]1C[C@@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ncnc(N)n1 |r|
CN([C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1cc(N)ncn1 |r|
CN([C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ccnc(N)n1 |r|
CN([C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ccncn1 |r|
CN([C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1nc(C)nc(N)n1 |r|
CN([C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ncnc(C)n1 |r|
CN([C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ncnc(N)n1 |r|
CN([C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1ccnc(N)n1 |r|
CN([C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O)c1nc(C)nc(N)n1 |r|
CN([C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)=O |r,wU:19.21,2.1,wD:5.8,(-10,-3.08,;-10,-1.54,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,;-11.34,-.77,;-12.67,-1.54,;-11.34,.77,)|
CN([C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)=O |r,wU:17.19,2.1,wD:4.6,(-9.61,-2.85,;-9.61,-1.31,;-8.28,-.54,;-7.88,.94,;-6.39,.54,;-6.79,-.94,;-5.06,1.31,;-3.72,.54,;-2.39,1.31,;-1.06,.54,;-1.06,-1,;-2.39,-1.77,;-3.72,-1,;.28,1.31,;.28,2.85,;1.61,.54,;2.94,1.31,;4.28,.54,;4.28,-1,;5.61,1.31,;6.94,.54,;6.94,-1,;8.28,-1.77,;9.61,-1,;10.95,-1.77,;12.28,-1,;12.28,.54,;10.95,1.31,;9.61,.54,;8.28,1.31,;-10.95,-.54,;-12.28,-1.31,;-10.95,1,)|
CN(c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1)S(C)(=O)=O
CN(c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O
CN1C(=O)COc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
CN1CC(C1)Nc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(C)cn1 |r|
CN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CC(C1)Nc1ccnc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CC(C1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(C1)Nc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(C)cn1 |r|
CN1CCC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(C1)Nc1cc(cnn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(C1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(C1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCC(C1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|
CN1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(C1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(C1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(C1)n1ncc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc12
CN1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(C)(O)CN1CCc2ccccc2C1
CN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(CC1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(CC1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)Oc1cc(F)c2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)Oc1cc(cnn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)Oc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|
CN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCC(CC1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|
CN1CCC(CC1)Oc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CN1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
CN1CCC(CC1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(COc2ccccc2)cc1
CN1CCC(CC1)n1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
CN1CCC(CNc2cc(ccn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 |r|
CN1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CN1CCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CN1CCC(COc2ccc3c(c2)N(C)CCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)C1 |r|
CN1CCC(Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C(F)C1 |r|
CN1CCC2(CCCN2C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)CC1 |r|
CN1CCCC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCCC(C1)Oc1ccc2c(c1)N(C)CCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O |r|
CN1CCCC(C1)c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
CN1CCCC(C1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCCC(CNc2cc(ccn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 |r|
CN1CCCC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CN1CCCC(COc2ccc3c(c2)N(C)CCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)C1 |r|
CN1CCCC1c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCCCC1CNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
CN1CCC[C@@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCCc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc12
CN1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
CN1CCN(CC1)C(=O)c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CN1CCN(CC1)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCN(CC1)c1cc(NC2CCN(CC2)C(C)=O)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1cc(cc(NC2CCC2)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1cc(cc(NC2CCN(CC2)C(C)=O)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1
CN1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CN1CCN(CC1)c1cccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 |r|
CN1CCN(CC1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCN(CC1)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1nc(NC2CN(C2)C(C)=O)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CN1CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
CN1CCN(CC1=O)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CN1CCN(CCOCC(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(Br)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CC3CCCCC3)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CCC(F)(F)F)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCOCC3)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C(C)=O)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C3CCC3)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C3CCOC3)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC3)C3COC3)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCNCC3F)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(C3)C(C)=O)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OCc3ccc(F)cn3)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OCc3ccncc3F)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@@H]3CCN(C3)C(C)=O)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@H]3CCN(C3)C(C)=O)cc12 |r|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc12)C1=CCC(CC1)C(F)(F)F |r,t:31|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc12)C1=CCCCC1 |r,t:31|
CN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(cc12)C1=CCN(CC1)C(=O)OC(C)(C)C |r,t:31|
CN1CCN(Cc2ccc(cc2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CN1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)C(CO)C1
CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1CO
CN1CCOC(CNc2cc(ccn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 |r|
CN1CCOC(COc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
CN1CCOc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
CN1CCOc2cccc(OCC(=O)NC[C@@H](O)CN3Cc4ccccc4C3)c12 |r|
CN1CCOc2cccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)c12 |r|
CN1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN1CCc2c(C1)cccc2O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cc(F)c2c(N)ncnc12 |r|
CN1CCc2c(C1)cccc2O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CN1CCc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c2C1
CN1CCc2cccc(O[C@H]3CC([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2C1 |r|
CN1CCc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3cc(F)c4c(N)ncnc34)c2C1 |r|
CN1Cc2cccc(O[C@H]3CC([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2C1 |r|
CN1Cc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3cc(F)c4c(N)ncnc34)c2C1 |r|
CNC(=O)CCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CNC(=O)CN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNC(=O)CN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNC(=O)CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CNC(=O)CNCc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CNC(=O)Cc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
CNC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:21.23,wD:4.3,7.10,(-12.67,-1.54,;-11.34,-.77,;-10,-1.54,;-10,-3.08,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,)|
CNC(=O)[C@@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,wD:6.8,4.3,(-12.28,-1.31,;-10.95,-.54,;-9.61,-1.31,;-9.61,-2.85,;-8.28,-.54,;-7.88,.94,;-6.39,.54,;-6.79,-.94,;-5.06,1.31,;-3.72,.54,;-2.39,1.31,;-1.06,.54,;-1.06,-1,;-2.39,-1.77,;-3.72,-1,;.28,1.31,;.28,2.85,;1.61,.54,;2.94,1.31,;4.28,.54,;4.28,-1,;5.61,1.31,;6.94,.54,;6.94,-1,;8.28,-1.77,;9.61,-1,;10.95,-1.77,;12.28,-1,;12.28,.54,;10.95,1.31,;9.61,.54,;8.28,1.31,)|
CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:4.3,21.23,wD:7.10,(-12.67,-1.54,;-11.34,-.77,;-10,-1.54,;-10,-3.08,;-8.67,-.77,;-8.67,.77,;-7.34,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;.67,1.54,;.67,3.08,;2,.77,;3.33,1.54,;4.67,.77,;4.67,-.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;12.67,-.77,;12.67,.77,;11.34,1.54,;10,.77,;8.67,1.54,)|
CNC(=O)[C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,4.3,wD:6.8,(-12.28,-1.31,;-10.95,-.54,;-9.61,-1.31,;-9.61,-2.85,;-8.28,-.54,;-7.88,.94,;-6.39,.54,;-6.79,-.94,;-5.06,1.31,;-3.72,.54,;-2.39,1.31,;-1.06,.54,;-1.06,-1,;-2.39,-1.77,;-3.72,-1,;.28,1.31,;.28,2.85,;1.61,.54,;2.94,1.31,;4.28,.54,;4.28,-1,;5.61,1.31,;6.94,.54,;6.94,-1,;8.28,-1.77,;9.61,-1,;10.95,-1.77,;12.28,-1,;12.28,.54,;10.95,1.31,;9.61,.54,;8.28,1.31,)|
CNC(=O)c1cccc(c1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CNC(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CNCC#Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
CNCCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCN(C)c1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCN(C)c1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCNCc1cccc(c1)-c1nc(Nc2ccccc2)c(C)c(n1)-c1c(C)noc1C |(3.97,-25.93,;5.31,-25.16,;6.64,-25.93,;7.97,-25.16,;9.31,-25.93,;10.64,-25.16,;11.98,-25.93,;11.97,-27.48,;13.31,-28.25,;14.64,-27.48,;14.64,-25.92,;13.3,-25.16,;15.97,-25.15,;15.96,-23.62,;17.28,-22.84,;17.27,-21.3,;18.6,-20.52,;19.93,-21.29,;21.26,-20.51,;21.25,-18.97,;19.9,-18.21,;18.58,-18.99,;18.63,-23.61,;19.96,-22.83,;18.63,-25.15,;17.3,-25.92,;19.96,-25.91,;21.36,-25.27,;21.67,-23.76,;22.39,-26.41,;21.63,-27.74,;20.13,-27.43,;18.99,-28.46,)|
CNCCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCOc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCOc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CNCCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CNC[C@@H](O)CN1CCc2c(C1)cccc2OCc1ccc(cc1)-c1nccs1 |r|
CNCc1cc(F)ccc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CNS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CN[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12)c1ccc(F)c(F)c1
CN[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,2.1,wD:5.8,(-12,-1.54,;-10.67,-2.31,;-9.34,-1.54,;-9.34,,;-8,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;,.77,;,2.31,;1.33,,;2.67,.77,;4,,;4,-1.54,;5.33,.77,;6.67,,;6.67,-1.54,;8,-2.31,;9.34,-1.54,;10.67,-2.31,;12,-1.54,;12,,;10.67,.77,;9.34,,;8,.77,)|
CN[C@H]1CC[C@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,5.8,2.1,(-12,-1.54,;-10.67,-2.31,;-9.34,-1.54,;-9.34,,;-8,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;,.77,;,2.31,;1.33,,;2.67,.77,;4,,;4,-1.54,;5.33,.77,;6.67,,;6.67,-1.54,;8,-2.31,;9.34,-1.54,;10.67,-2.31,;12,-1.54,;12,,;10.67,.77,;9.34,,;8,.77,)|
CNc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|
CNc1ncnc2n(ccc12)[C@@H]1O[C@H](CSC)[C@@](C)(O)[C@H]1O |r|
COC(=O)Cc1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
COC(=O)N1CC(C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COC(=O)N1CCC(CC1)N(C)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC(=O)N1CCC(CC1)Oc1cc(ncn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC(=O)N1CCC(CC1)Oc1ccc(cn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
COC(=O)N1CCC(CC1)Oc1cccc(c1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC(=O)N1CCC(CC1)Oc1cncc(c1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC(=O)N1[C@H]2CC[C@@H]1CC(C2)Oc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |THB:12:10:7.6:4|
COC(=O)c1cc(F)ccc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC\C=C\[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
COC(=O)c1cc(O)c2ccc(NC(=O)NCCCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)cc2c1 |r|
COC(=O)c1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
COC(=O)c1ccccc1NC(=O)CCN1CCc2ccccc2C1
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(CO)cc2[nH]1
COC(CNC(=O)c1cc(NC2CCN(C)CC2)ncn1)CN1CCc2ccccc2C1
COC(CNC(=O)c1cc(NC2CCN(CC2)C(=O)C2CC2)ncn1)CN1CCc2ccccc2C1
COC(CNC(=O)c1cc(NC2CCN(CC2)C(C)=O)ncn1)CN1CCc2ccccc2C1
COC(CNC(=O)c1cc(NC2CCNCC2)ncn1)CN1CCc2ccccc2C1
COC(CNC(=O)c1cc(NC2CN(C2)C(C)=O)ncn1)CN1CCc2ccccc2C1
COC(CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1
COC(CNC(=O)c1ccnc(NC2CCN(CC2)C(C)=O)c1)CN1CCc2ccccc2C1
COC1CC2CCC(C1)N2C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r,TLB:10:9:8.2.3:5.6|
COC1CCN(C1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
COC1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
COC1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COC1CCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)CC1 |r|
COC1CN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
COC1Cc2cc(Cl)ccc2[C@@H](O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
COC1Cc2cc(Cl)ccc2[C@@H](O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
COCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCC1CCCCN1C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
COCCCNc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
COCCCOc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
COCCN(C)c1cc(NC2CCN(CC2)C(C)=O)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN(C)c1cc(cc(NC2CCN(CC2)C(C)=O)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN(CCOC)[C@@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:24.26,11.13,9.8,(-11.34,3.78,;-10,4.55,;-8.67,3.78,;-7.34,4.55,;-6,3.78,;-4.67,4.55,;-3.33,3.78,;-2,4.55,;-.67,3.78,;-6,2.24,;-7.09,1.16,;-6,.07,;-4.91,1.16,;-6,-1.47,;-4.67,-2.24,;-3.33,-1.47,;-2,-2.24,;-2,-3.78,;-3.33,-4.55,;-4.67,-3.78,;-.67,-1.47,;-.67,.07,;.67,-2.24,;2,-1.47,;3.33,-2.24,;3.33,-3.78,;4.67,-1.47,;6,-2.24,;6,-3.78,;7.34,-4.55,;8.67,-3.78,;10,-4.55,;11.34,-3.78,;11.34,-2.24,;10,-1.47,;8.67,-2.24,;7.34,-1.47,)|
COCCN(CCOC)[C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:24.26,11.13,wD:9.8,(-11.34,3.78,;-10,4.55,;-8.67,3.78,;-7.34,4.55,;-6,3.78,;-4.67,4.55,;-3.33,3.78,;-2,4.55,;-.67,3.78,;-6,2.24,;-7.09,1.16,;-6,.07,;-4.91,1.16,;-6,-1.47,;-4.67,-2.24,;-3.33,-1.47,;-2,-2.24,;-2,-3.78,;-3.33,-4.55,;-4.67,-3.78,;-.67,-1.47,;-.67,.07,;.67,-2.24,;2,-1.47,;3.33,-2.24,;3.33,-3.78,;4.67,-1.47,;6,-2.24,;6,-3.78,;7.34,-4.55,;8.67,-3.78,;10,-4.55,;11.34,-3.78,;11.34,-2.24,;10,-1.47,;8.67,-2.24,;7.34,-1.47,)|
COCCN1CC(C1)Nc1ccnc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN1CCC(CC1)Nc1ccnc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN1CCC(CC1)Oc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN1CCC(CC1)Oc1ccc2c(OC(C)(C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)n1 |r|
COCCN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COCCN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COCCN1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
COCCN1CC[C@H](C1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COCCN1CC[C@H](C1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COCCNCCOc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COCCNc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
COCCO[C@@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,wD:7.9,5.4,(-13.61,-1.86,;-12.28,-1.09,;-10.95,-1.86,;-9.61,-1.09,;-8.28,-1.86,;-6.94,-1.09,;-6.55,.4,;-5.06,,;-5.46,-1.49,;-3.72,.77,;-2.39,,;-1.06,.77,;.28,,;.28,-1.54,;-1.06,-2.31,;-2.39,-1.54,;1.61,.77,;1.61,2.31,;2.94,,;4.28,.77,;5.61,,;5.61,-1.54,;6.94,.77,;8.28,,;8.28,-1.54,;9.61,-2.31,;10.95,-1.54,;12.28,-2.31,;13.61,-1.54,;13.61,,;12.28,.77,;10.95,,;9.61,.77,)|
COCCO[C@H]1CC2(C1)Oc1ccc(cc1NC2=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wD:5.4,23.26,(10.07,-19.11,;8.75,-18.35,;7.42,-19.12,;6.1,-18.35,;4.77,-19.12,;3.43,-18.35,;3.04,-16.86,;1.55,-17.26,;1.95,-18.75,;1.55,-15.72,;.21,-14.95,;.21,-13.41,;-1.12,-12.64,;-2.45,-13.41,;-2.45,-14.95,;-1.12,-15.72,;-1.12,-17.26,;.21,-18.03,;.21,-19.57,;-3.79,-12.64,;-5.12,-13.41,;-3.79,-11.1,;-2.45,-10.33,;-2.45,-8.79,;-3.79,-8.02,;-1.12,-8.02,;.21,-8.79,;.21,-10.33,;1.55,-11.1,;2.88,-10.33,;4.22,-11.1,;5.55,-10.33,;5.55,-8.79,;4.22,-8.02,;2.88,-8.79,;1.55,-8.02,)|
COCCO[C@H]1CC2(C1)Oc1ccc(cc1NC2=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:5.4,wD:23.26,(10.07,-19.12,;8.75,-18.36,;7.42,-19.12,;6.1,-18.36,;4.77,-19.12,;3.44,-18.35,;1.95,-18.75,;1.55,-17.26,;3.04,-16.87,;1.55,-15.72,;.22,-14.95,;.22,-13.41,;-1.12,-12.64,;-2.45,-13.41,;-2.45,-14.95,;-1.12,-15.72,;-1.12,-17.26,;.22,-18.03,;.22,-19.57,;-3.79,-12.64,;-5.12,-13.41,;-3.79,-11.1,;-2.45,-10.33,;-2.45,-8.79,;-3.79,-8.02,;-1.12,-8.02,;.22,-8.79,;.22,-10.33,;1.55,-11.1,;2.88,-10.33,;4.22,-11.1,;5.55,-10.33,;5.55,-8.79,;4.22,-8.02,;2.88,-8.79,;1.55,-8.02,)|
COC[C@@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COC[C@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
COC[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1ccc2c(N)ncnc12 |r|
COCc1cc(cc2c(CN)n[nH]c(=O)c12)-c1cnn(C)c1-c1sc2ccccc2c1C#N |(.78,-4.41,;.78,-2.87,;2.12,-2.1,;2.12,-.56,;.78,.2,;.78,1.75,;2.11,2.52,;3.44,1.75,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,;3.44,.21,;-.55,2.52,;-.89,4.01,;-2.43,4.19,;-3.04,2.81,;-4.53,2.42,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,)|
COCc1ccccc1C(=O)NCC(O)CNC1Cc2ccccc2C1
CONc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@]3(C)O)n3ccc4c3nc[nH]\c4=N/OC)cc2n1 |r|
CO[C@@H](CN1CCN(Cc2ccc(cn2)C2CCOCC2)C1=O)CN1CCc2ccccc2C1
CO[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,wD:5.8,2.1,(-12,-1.54,;-10.67,-2.31,;-9.34,-1.54,;-9.34,,;-8,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;,.77,;,2.31,;1.33,,;2.67,.77,;4,,;4,-1.54,;5.33,.77,;6.67,,;6.67,-1.54,;8,-2.31,;9.34,-1.54,;10.67,-2.31,;12,-1.54,;12,,;10.67,.77,;9.34,,;8,.77,)|
CO[C@@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:17.19,4.6,2.1,(-11.61,-1.09,;-10.28,-1.86,;-8.95,-1.09,;-7.46,-1.49,;-7.06,,;-8.55,.4,;-5.73,.77,;-4.39,,;-3.06,.77,;-1.72,,;-1.72,-1.54,;-3.06,-2.31,;-4.39,-1.54,;-.39,.77,;-.39,2.31,;.94,,;2.28,.77,;3.61,,;3.61,-1.54,;4.94,.77,;6.28,,;6.28,-1.54,;7.61,-2.31,;8.95,-1.54,;10.28,-2.31,;11.61,-1.54,;11.61,,;10.28,.77,;8.95,,;7.61,.77,)|
CO[C@@H]1C[C@@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CO[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:19.21,2.1,wD:5.8,(-12,-1.54,;-10.67,-2.31,;-9.34,-1.54,;-9.34,,;-8,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;,.77,;,2.31,;1.33,,;2.67,.77,;4,,;4,-1.54,;5.33,.77,;6.67,,;6.67,-1.54,;8,-2.31,;9.34,-1.54,;10.67,-2.31,;12,-1.54,;12,,;10.67,.77,;9.34,,;8,.77,)|
CO[C@H]1CC[C@H](CC1)N(C)c1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,5.8,2.1,(-12,-1.54,;-10.67,-2.31,;-9.34,-1.54,;-9.34,,;-8,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,.77,;-5.33,2.31,;-4,,;-2.67,.77,;-1.33,,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;,.77,;,2.31,;1.33,,;2.67,.77,;4,,;4,-1.54,;5.33,.77,;6.67,,;6.67,-1.54,;8,-2.31,;9.34,-1.54,;10.67,-2.31,;12,-1.54,;12,,;10.67,.77,;9.34,,;8,.77,)|
CO[C@H]1C[C@@H](C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:17.19,2.1,wD:4.6,(-11.61,-1.09,;-10.28,-1.86,;-8.95,-1.09,;-8.55,.4,;-7.06,,;-7.46,-1.49,;-5.73,.77,;-4.39,,;-3.06,.77,;-1.72,,;-1.72,-1.54,;-3.06,-2.31,;-4.39,-1.54,;-.39,.77,;-.39,2.31,;.94,,;2.28,.77,;3.61,,;3.61,-1.54,;4.94,.77,;6.28,,;6.28,-1.54,;7.61,-2.31,;8.95,-1.54,;10.28,-2.31,;11.61,-1.54,;11.61,,;10.28,.77,;8.95,,;7.61,.77,)|
CO[C@H]1C[C@@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CO[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
CO\N=c1/[nH]cnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O |r|
CO\N=c1/[nH]cnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@](C)(O)[C@H]1O |r|
CO\N=c1\nc[nH]c2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@](C)(O)[C@H]1O |r|
COc1c(NC2COC2)ncnc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cc(Br)cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)c1O |c:11|
COc1cc(CC(=O)N2CCOCC2)ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
COc1cc(CN2CCN(C)CC2)cc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
COc1cc(Cl)cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)c1O |c:11|
COc1cc(NC2CCOCC2)cc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
COc1cc(O[C@@H](C)c2ccccc2)ccc1-c1cc2c(ncnc2[nH]1)C1=CCNCC1 |r,t:30|
COc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
COc1cc(cc(NC2CCC2)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cc(cc(NC2CCN(CC2)C(C)=O)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2CCC1COC2 |r|
COc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1CCOCC1 |r|
COc1cc(ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)C(=O)N1C2CCC1COC2 |r|
COc1cc(ccc1F)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
COc1cc(ccn1)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1 |r|
COc1cc(ccn1)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1 |r|
COc1cc(ccn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COc1cc2OC3(CC3)C(=O)Nc2cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cc2O[C@@]3(CCOC3)C(=O)Nc2cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cc2O[C@]3(CCOC3)C(=O)Nc2cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
COc1ccc(CN(CC(CNC(=O)c2ccc(cc2)C(=O)N2C3CCC2COC3)N=[N+]=[N-])C2Cc3ccccc3C2)c(OC)c1
COc1ccc(CN(CC(O)CNC(=O)c2ccnc(OC3CCNCC3)c2)C2Cc3ccccc3C2)c(OC)c1
COc1ccc(CN(C[C@H](O)CNC(=O)c2ccnc(NC3CN(C3)C(C)=O)c2)C2Cc3ccccc3C2)c(OC)c1 |r|
COc1ccc(Cn2cnc3ccc(cc23)-c2ccc(OCC(O)CN3Cc4ccccc4C3)cc2)cc1
COc1ccc(NC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
COc1ccc(OC)c(NC(=O)CSc2nnc3c4ccccc4c4ccccc4c3n2)c1
COc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
COc1ccc(cc1)-c1cc(no1)C(=O)NC[C@H](O)CNC1Cc2ccccc2C1 |r|
COc1ccc(cc1)-c1cc(on1)C(=O)NCCC(O)CN1CCc2ccccc2C1
COc1ccc(cc1)-c1cc(on1)C(=O)NC[C@H](O)CNC1Cc2ccccc2C1 |r|
COc1ccc(cc1)-c1ccc(\C=N\NC(N)=O)o1
COc1ccc(cc1)-n1cc(cn1)C(=O)NCCC(O)CN1CCc2ccccc2C1
COc1ccc(cc1)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:10,TLB:8:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
COc1ccc(cc1-c1cncnc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
COc1ccc(cc1C)-c1csc(Nc2ccc(O)c(c2)C(O)=O)n1
COc1ccc(cc1NC1CCOCC1)C(=O)NCC(O)CN1CCc2ccccc2C1
COc1ccc(cn1)-c1ccc(CN2CCN(CCCN3CCc4ccccc4C3)C2=O)cn1
COc1ccc(cn1)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
COc1ccc2C[C@H](NCc2c1)[C@H](C)CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2 |r|
COc1ccc2c(CCCN(CC(O)CN3CCc4ccccc4C3)C2=O)c1
COc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1ccc2cc(ccc2n1)C(=O)NCC(O)CN1CCc2ccccc2C1
COc1ccc2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2n1 |r|
COc1ccc2cccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2n1 |r|
COc1ccc2oc(cc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-6.5,-1.85,;-5.41,-2.93,;-3.92,-2.54,;-2.83,-3.62,;-1.34,-3.23,;-.95,-1.74,;-2.03,-.65,;-1.64,.84,;-.17,1.31,;-.17,2.85,;-1.64,3.33,;-2.54,2.08,;-4.08,2.08,;1.16,.54,;1.16,-1,;2.5,-1.77,;3.83,-1,;3.83,.54,;2.5,1.31,;5.16,1.31,;5.16,2.85,;6.5,3.62,;6.5,.54,;6.5,-1,;5.16,-1.77,;5.16,-3.31,;-3.52,-1.05,;-4.61,.04,;-5.7,1.13,)|
COc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
COc1cccc(\C=N\c2ccc(O)c(c2)-c2nc3cc(C)ccc3o2)c1O
COc1ccccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
COc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
COc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
COc1nc(NC2CNC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
COc1nc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
CS(=O)(=O)CCN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)CCN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)CCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CS(=O)(=O)N1CC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(C1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(C1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCC(C1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)Oc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCC(CC1)Oc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCC(CC1)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
CS(=O)(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CS(=O)(=O)N1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(OCc2ccccc2)cc1
CS(=O)(=O)N1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
CS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
CS(=O)(=O)N1CCN(CC1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)N1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
CS(=O)(=O)N1CC[C@@H](C1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CC[C@H](C1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CS(=O)(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
CS(=O)(=O)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)Nc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
CS(=O)(=O)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)Nc1cccc(c1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
CS(=O)(=O)Nc1ccccc1C(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)Nc1cccnc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
CS(=O)(=O)c1ccc(cc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
CS(=O)(=O)c1ccccc1OCC(=O)NCCC(O)CN1CCc2ccccc2C1
CS(=O)c1ccc(cc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
CSCCN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CSCCN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CSCCNc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
CSC[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1ccc2c(N)ncnc12 |r|
C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r|
C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|
C[C@@H](N)C(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
C[C@@H](N)c1cc(F)c(Cl)cc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
C[C@@H](N)c1cc(F)ccc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
C[C@@H](N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(F)(F)F |r|
C[C@@H](O)CN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
C[C@@H](O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
C[C@@H](O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
C[C@@H](Oc1ccc(-c2cc3c(ncnc3[nH]2)C2=CCNCC2)c(F)c1)c1ccccc1 |r,t:18|
C[C@@H](Oc1ccc(-c2nc3c(ncnc3[nH]2)C2=CCNCC2)c(F)c1)c1ccccc1 |r,t:18|
C[C@@H](Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|
C[C@@H](Oc1ccc(cc1)-c1nc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|
C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
C[C@@H]1CC(CCO1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CC4(COC4)C3)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CC4CCC(C3)N4CCF)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CC4CCC(C3)N4CCO)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CC(C)(C)O)CC3)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)CC3)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCO)C[C@H]3F)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(C3)C(C)=O)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@@H]3CCN(C)C3)cc2O1 |r|
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(O[C@H]3CCN(C)C3)cc2O1 |r|
C[C@@H]1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)ccc(F)c12 |r|
C[C@@H]1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)cccc2O1 |r|
C[C@@H]1COCCC1Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@@H]1COCCN1C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(cc1)C(=O)NCC(O)CNC1Cc2ccccc2C1 |r|
C[C@@H]1COc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2CN1 |r|
C[C@@](O)([C@H]1O[C@H](C2OC(C)(C)O[C@H]12)n1ccc2c(Cl)ncnc12)c1ccc(F)c(F)c1 |r|
C[C@@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc(Cl)c(F)c1
C[C@@]1(O)[C@@H](COc2ccc3cc(Br)c(N)nc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@H]([C@@H]1O)n1cc(F)c2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2ccc3ccc(N)nc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2ccc3cccnc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2cccc(CN)c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2cccc(NC(N)=O)c2)O[C@H]([C@@H]1O)n1ccc2c(Cl)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2cccc(NC(N)=O)c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](COc2ccccc2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](Cc2ccc(Cl)c(Cl)c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](Cc2ccc(Cl)c(Cl)c2)O[C@H]([C@@H]1O)n1ccc2cncnc12 |r|
C[C@@]1(O)[C@@H](Cc2ccc(Cl)cc2CO)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@@]1(O)[C@@H](Cc2ccc3OCOc3c2)O[C@H]([C@@H]1O)n1ccc2c(N)ncnc12 |r|
C[C@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r|
C[C@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|
C[C@H](N)c1cc(F)c(Cl)cc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
C[C@H](N)c1cc(F)ccc1O[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
C[C@H](N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(F)(F)F |r|
C[C@H](NC(=O)c1cnc2OC3(CC3)C(=O)Nc2c1)[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@H](O)CN1CCC(CC1)Oc1ccc2c(O[C@H](C)CN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
C[C@H](O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
C[C@H](Oc1ccc(-c2cc3c(ncnc3[nH]2)C2=CCNCC2)c(C)c1)c1ccccc1 |r,t:18|
C[C@H](Oc1ccc(-c2cc3c(ncnc3[nH]2)C2=CCNCC2)c(F)c1)c1ccccc1 |r,t:18|
C[C@H](Oc1ccc(-c2nc3c(ncnc3[nH]2)C2=CCNCC2)c(F)c1)c1ccccc1 |r,t:18|
C[C@H](Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|
C[C@H](Oc1ccc(cc1)-c1nc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|
C[C@H](Oc1ccc(cc1C)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:22|
C[C@H](Oc1ccc(cc1F)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:22|
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1 |r|
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
C[C@H]1CC(CCO1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@H]1CN(C[C@@H](C)N1)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1 |r|
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
C[C@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(C)CC3)cc2O1 |r|
C[C@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CCN(CCF)CC3)cc2O1 |r|
C[C@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(OC3CN(CCF)C3)cc2O1 |r|
C[C@H]1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)ccc(F)c12 |r|
C[C@H]1CNCc2c(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)cccc2O1 |r|
C[C@H]1COCCC1Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
C[C@H]1COCCN1C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
C[C@H]1COc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2CN1 |r|
C[C@](O)([C@H]1O[C@H](C2OC(C)(C)O[C@H]12)n1ccc2c(Cl)ncnc12)c1ccc(Cl)c(F)c1 |r|
C[C@](O)([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)c1ccc(F)c(F)c1
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1C(=O)Nc1cccc(CN)c1)n1ccc2c(Cl)ncnc12 |r|
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1C(=O)Nc1cccc(CN)c1)n1ccc2c(N)ncnc12 |r|
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](O)c1ccc(Cl)c(Cl)c1)n1ccc2c(N)ncnc12 |r|
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(Cl)c(Cl)c1)n1ccc2c(N)ncnc12 |r|
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(Cl)cc1)n1ccc2c(N)ncnc12 |r|
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(Cl)cc1)n1ccc2c1nc[nH]\c2=N/O |r|
C[C@]1(O)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)c1ccc(F)c(c1)C(F)(F)F)n1ccc2c(N)ncnc12 |r|
Cc1c(NC2CCOCC2)cccc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cc1c(NC2CCOCC2)ncnc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1c(NC2COC2)ncnc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1c(cnn1-c1ccccn1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1c(cnn1-c1ccncc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1c(cnn1C)-c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
Cc1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O
Cc1cc(F)ccc1O[C@H]1CC([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
Cc1cc(N)nc2[nH]c(nc12)-c1ccc(COc2ccccc2)cc1
Cc1cc(N[C@@H]2C[C@H](Oc3ccc(F)cc3C#N)[C@@H](O)[C@H]2O)ncn1 |r|
Cc1cc(N[C@@H]2C[C@H](Oc3ccccc3C#N)[C@@H](O)[C@H]2O)ncn1 |r|
Cc1cc(N[C@@H]2C[C@H]([C@@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)ncn1 |r|
Cc1cc(N[C@@H]2C[C@H]([C@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)ncn1 |r|
Cc1cc(N[C@H]2C[C@@H](Oc3ccc(F)cc3C#N)[C@H](O)[C@@H]2O)ncn1 |r|
Cc1cc(N[C@H]2C[C@@H](Oc3ccccc3C#N)[C@H](O)[C@@H]2O)ncn1 |r|
Cc1cc(Nc2cc(ccn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n[nH]1 |r|
Cc1cc(Nc2cc(ncn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n[nH]1 |r|
Cc1cc(OC2CC2)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(25.55,-19.26,;24.41,-18.23,;22.94,-18.7,;21.8,-17.67,;20.33,-18.15,;19.19,-17.12,;17.68,-16.8,;18.71,-15.65,;22.12,-16.17,;20.97,-15.14,;19.84,-14.11,;23.59,-15.69,;24.72,-16.72,;23.9,-14.19,;25.31,-13.56,;25.15,-12.03,;23.64,-11.71,;22.87,-13.04,;21.34,-13.2,;26.64,-14.33,;26.64,-15.87,;27.97,-16.64,;29.31,-15.87,;29.31,-14.33,;27.97,-13.56,;30.64,-13.56,;30.64,-12.03,;31.97,-11.25,;31.97,-14.33,;31.97,-15.87,;30.64,-16.64,;30.64,-18.18,)|
Cc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(F)c3c(N)ncnc23)c2CNCCc2c1F |r|
Cc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCOc2c1 |r|
Cc1cc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc2c1F |r|
Cc1cc(cc(NC2CCC2)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cc(cc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1)C1CCNCC1
Cc1cc(cc2c(CN)n[nH]c(=O)c12)-c1cnn(C)c1-c1sc2ccccc2c1C#N |(2.12,-2.1,;2.12,-.56,;.78,.2,;.78,1.75,;2.11,2.52,;3.44,1.75,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,;3.44,.21,;-.55,2.52,;-.89,4.01,;-2.43,4.19,;-3.04,2.81,;-4.53,2.42,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,)|
Cc1cc(ccc1Cl)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1ccc2c(C)ncnc12 |r|
Cc1cc(ccc1Cl)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1ccc2c(N)ncnc12 |r|
Cc1cc(ccc1F)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
Cc1cc(ccn1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(Br)c3c(N)ncnc23)c1 |r|
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(Cl)c3c(N)ncnc23)c1 |r|
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(F)c3c(C)ncnc23)c1 |r|
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(F)c3c(N)ncnc23)c1 |r|
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2cc(F)c3cnc(C)nc23)c1 |r|
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c1 |r|
Cc1cc2CCNCc2c(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)n1 |r|
Cc1cc2[C@@H](OCCc2cc1Cl)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
Cc1cc2[C@@H](OCCc2cc1Cl)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
Cc1cc2cccc(O[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(C)ncnc34)c2cn1 |r|
Cc1cc2ncc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)n2n1 |r|
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCCC1
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1
Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
Cc1ccc(NC(=O)Cn2ncc(F)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
Cc1ccc(NC2CCOC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cc1ccc(NC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cc1ccc(NC2COC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(O)c(O)c1 |t:8|
Cc1ccc(cc1)N1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
Cc1ccc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O
Cc1ccc(cn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
Cc1ccc(cn1)[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12
Cc1ccc2CCN(C[C@@H](O)CNC(=O)c3cc(NC4COC4)ncn3)Cc2c1 |r|
Cc1ccc2CN(C[C@@H](O)CNC(=O)c3cc(NC4COC4)ncn3)CCc2c1 |r|
Cc1ccc2[nH]c3C(CCCc3c2c1)NCCCOc1ccc(F)cc1
Cc1ccc2cc(ccc2n1)C(=O)NCC(O)CN1CCc2ccccc2C1
Cc1ccc2cc(ccc2n1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
Cc1ccc2cc(ccc2n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N |(-5.7,-3.15,;-4.21,-2.75,;-3.12,-3.84,;-1.63,-3.44,;-1.23,-1.95,;-2.32,-.86,;-1.93,.62,;-.68,1.53,;-1.16,2.99,;-2.7,2.99,;-3.17,1.53,;-4.5,.76,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,;-3.85,-1.22,;-4.94,-.13,;-6.03,.95,)|
Cc1cccc(CC(O)[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)n1 |r|
Cc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Cc1cccc(c1)N1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
Cc1cccc(n1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1cccc2CCN(C[C@@H](O)CNC(=O)c3cc(NC4COC4)ncn3)Cc12 |r|
Cc1cccc2CN(C[C@@H](O)CNC(=O)c3cc(NC4COC4)ncn3)CCc12 |r|
Cc1ccccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
Cc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Cc1ccccc1[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12 |r|
Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
Cc1ccnc2[nH]c(nc12)-c1ccc(COc2ccccc2)cc1
Cc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Cc1cn(C)c2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c12 |r|
Cc1cn(C)c2cccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)c12 |r|
Cc1cn([C@@H]2C[C@H](Oc3cc(C)cc4CCNCc34)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Cc1cn([C@@H]2C[C@H](Oc3cc(F)c(F)c4CCNCc34)[C@@H](O)[C@H]2O)c2nc(C)nc(N)c12 |r|
Cc1cn([C@@H]2C[C@H](Oc3ccc(F)c4CCNCc34)[C@@H](O)[C@H]2O)c2ncnc(Cl)c12 |r|
Cc1cnc(NC2CCN(CC(F)(F)F)C2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(NC2CCNC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(NC2CCOC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(NC2CCOCC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(NC2CN(C2)S(C)(=O)=O)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(NC2CN(CC(F)(F)F)C2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(NC2CNC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc(OC2CCOCC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(Cl)cn12 |r|
Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)c(F)cn12 |r|
Cc1cnc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccn12 |r|
Cc1cnc2cc(OC[C@H]3O[C@H]([C@H](O)[C@]3(C)O)n3ccc4c(C)ncnc34)ccn12 |r|
Cc1cnc2cc(OC[C@H]3O[C@H]([C@H](O)[C@]3(C)O)n3ccc4c(N)ncnc34)ccn12 |r|
Cc1cnnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOCc2cc(Cl)ccc12 |r|
Cc1nc(C)c2ccn([C@@H]3O[C@H]([C@H](O)c4ccc(F)cc4)[C@@H](O)[C@H]3O)c2n1
Cc1nc(N)c2c(F)cn([C@@H]3C[C@H](Oc4ccc(F)c5CCNCc45)[C@@H](O)[C@H]3O)c2n1 |r|
Cc1nc(N)nc2n(ccc12)[C@@H]1C[C@@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1nc(N)nc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1nc(N)nc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccccc1
Cc1nc(N)nc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1nc(N)nc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1Cc2ccccc2C1 |r|
Cc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccn2c1C |r|
Cc1ncc(NC2CCNC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Cc1ncc(O[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(C)ncnc23)c2CNCCc12 |r|
Cc1ncc2c(F)cn([C@@H]3C[C@H](Oc4cc(Cl)cc5CCNCc45)[C@@H](O)[C@H]3O)c2n1 |r|
Cc1ncc2c(F)cn([C@@H]3C[C@H](Oc4cc(F)c(F)c5CCNCc45)[C@@H](O)[C@H]3O)c2n1 |r|
Cc1ncc2c(F)cn([C@@H]3C[C@H](Oc4cc(cc5CCNCc45)C#N)[C@@H](O)[C@H]3O)c2n1 |r|
Cc1ncc2c(F)cn([C@@H]3C[C@H](Oc4ccc(F)c5CCNCc45)[C@@H](O)[C@H]3O)c2n1 |r|
Cc1nccc(N[C@@H]2C[C@H]([C@@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)n1 |r|
Cc1nccc(N[C@@H]2C[C@H]([C@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)n1 |r|
Cc1nccc(O[C@@H]2C[C@H](Oc3cccc4CCNCc34)[C@@H](O)[C@H]2O)n1 |r|
Cc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(Cl)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C#N)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|
Cc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)C1C[C@H](Oc2cccc3CCNC(=O)c23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)C1C[C@H](Oc2cccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)C1C[C@H](Oc2cccc3CNCCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)C1C[C@H](Oc2cccc3CNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)C1C[C@H](Oc2cccc3ccncc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)C1C[C@H]([C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)C1C[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1CC([C@@H](O)[C@H]1O)[C@@](C)(O)c1ccc(F)cc1 |r|
Cc1ncnc2n(ccc12)[C@@H]1CC([C@@H](O)[C@H]1O)[C@](C)(O)c1ccc(F)cc1 |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C1(O)CC1 |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@](F)(CN)c1ccc(F)cc1 |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@H](CN)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Cc2ccc(Cl)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2c(F)cccc2F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(-c3cn[nH]c3)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(Br)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(Br)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3CCNCc23)C(O)=C1O |r,c:33|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(Cl)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(Cl)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(Cl)cc3OCCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(F)c(F)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(F)c(F)cc2OCCN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(F)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(F)cc3OCCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(OC(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)-c2cc[nH]n2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)-c2cn[nH]c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)-c2cnco2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)-c2cnoc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C#N)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C(C)(C)O)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3OCCNCc23)C#N)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cc(cc3OCCNCc23)C(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)c(Cl)c2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)c(Cl)c2OCCN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)c(F)c2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)cc2C(O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)cc2CCN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(Cl)cc2OCCN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)c(F)c2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)cc2C(N)=O)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)cc2O)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(I)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc(c2CN)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3CCCC(N)c23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3CC[C@@H](N)c23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3CC[C@H](N)c23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3OCC(N)Cc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3OCCNC(=O)c23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cccc3OCCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccccc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2cncc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2nc(cc3CCNCc23)C(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2nccc3CCN(Cc23)C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2nccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ncnc3CCN(Cc23)C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](CN)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](F)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2cc(F)c(F)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(Cl)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(Cl)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2cccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](F)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2cc(F)c(F)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(Cl)cc2CN)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(Cl)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@H](O)c2cccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1OC([C@@H](O)[C@H]1O)C(F)(F)c1ccc(F)cc1
Cc1ncnc2n(ccc12)[C@@H]1OC([C@H](O)c2cc(F)cc(c2)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H](C(O)CO)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)c1ccc(F)c(F)c1
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1NCCc2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(O)Cc2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCC(F)(F)c2ccccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCCc2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(Cl)cccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(F)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2ccc(Cl)cc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOCc2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOc2c(F)c(F)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@@H](F)c2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCCc2cc(Cl)ccc12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)c2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3cc(Br)c(N)nc3c2)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3ccc(N)nc3c2)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3cccnc3c2)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H](Cc2ccc(Cl)cc2CO)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H](Cc2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H](Cn2cccn2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](F)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](N)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C2CC2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C2CCC2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)C2CCCC2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)CCc2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)Cc2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccccc1
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccn(C)n1
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccn[nH]1
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1cnco1
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2cccc(F)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2ccco2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@@H](O)c2cnn(C)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](F)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](N2C(=O)c3ccccc3C2=O)c2ccc(F)c(F)c2)[C@H]2OC(C)(C)O[C@@H]12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C(F)(F)F)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C2CC2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C2CCC2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)C2CCCC2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)CS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)Cc2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cc(F)cc(F)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(Cl)c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(c2)C#N)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(c2)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(c2)C(F)(F)F)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(cc2)C(F)(F)F)[C@@](C)(O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(cc2)S(C)(=O)=O)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3ccn(C)c3c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3cnn(C)c3c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3n(cnc3c2)C(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3ncn(C(F)F)c3c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc3occ(C(F)F)c3c2)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(F)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(OCc3ccccc3)n2)[C@H]2OC(C)(C)O[C@@H]12 |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc(c2)S(C)(=O)=O)[C@@H](O)[C@H]1O |r|
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc3CCNCc23)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cccc3cc[nH]c23)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccco2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2cnn(C)c2)[C@@H](O)[C@H]1O
Cc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H]2OC(C)(C)O[C@@H]12)C(C)(C)O |r|
Cc1ncnc2n(ccc12)[C@H]1C[C@@H](Oc2ccc(F)cc2CN)[C@H](O)[C@@H]1O |r|
Cc1ncnc2n(ccc12)[C@H]1C[C@@H](Oc2ccccc2CN)[C@H](O)[C@@H]1O |r|
Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Cc1nn(C)cc1-c1cc(no1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1nn(C)cc1-c1cc(no1)C(=O)NC[C@H](O)CNC1Cc2ccccc2C1 |r|
Cc1nn(C)cc1-c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
Cc1nn(CC(O)CNC2Cc3ccccc3C2)c(=O)c2ccccc12
Cc1nn(C[C@@H](O)CNC2Cc3ccccc3C2)c(=O)c2ccc(cc12)C(=O)N1C2CCC1COC2 |r|
Cc1nn(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)c(=O)c2ccccc12 |r|
Cc1nnc(o1)-c1ccc(cc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1nnc(o1)-c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
Cc1nnc(o1)-c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
Cc1nnc(o1)-c1ccc(cc1)C(=O)NC[C@H](O)CNC1Cc2ccccc2C1 |r|
Cc1nnc(o1)-c1cccc(c1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1nnc2CN(CCn12)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Cc1nonc1COc1ccc(cc1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cc1nonc1COc1ccc(cc1)C(=O)NC[C@H](O)CNC1Cc2ccccc2C1 |r|
Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Cl.Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1
Cl.Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CC(F)(F)CC22CCNCC2)[C@@H](O)[C@H]1O |r|
Cl.Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CCCC22CCNCC2)[C@@H](O)[C@H]1O |r|
Cl.[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1N=CN1C(O)CCN=C21)[C@H](O)c1ccc(Cl)cc1 |r,c:15,t:22|
Clc1cc(Cl)c2[nH]c(nc2n1)-c1ccc(OCc2ccccc2)cc1
Clc1cc(nc2nc([nH]c12)-c1ccc(COc2ccccc2)cc1)C1CCNCC1
Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
Clc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Clc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
Cn1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c2ccccc12 |r|
Cn1cc(Oc2ccc(cc2)C(=O)NC[C@@H](O)CNC2Cc3ccccc3C2)cn1 |r|
Cn1cc(Oc2ccc(cc2)C(=O)NC[C@H](O)CNC2Cc3ccccc3C2)cn1 |r|
Cn1cc(ccc1=O)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
Cn1cc(cn1)-c1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Cn1cc(cn1)-c1cc(no1)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cn1cc(cn1)-c1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
Cn1cc(cn1)-c1ccc2c(c1)c(CN)n[nH]c2=O
Cn1cc(cn1)-c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Cn1cc(cn1)-c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
Cn1cc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc2n1
Cn1ccc(Nc2cc(ccn2)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1 |r|
Cn1ccc(cc1=O)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)cn1
Cn1ccc(cc1=O)-c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1
Cn1ccc(cc1=O)C(=O)NCC(O)CNC1Cc2ccccc2C1
Cn1ccc(cc1=O)C(=O)NCCC(O)CN1CCc2ccccc2C1
Cn1ccc(n1)-c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
Cn1ccc(n1)C(=O)NCC(O)CN1CCc2ccccc2C1
Cn1ccnc1-c1cccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 |r|
Cn1ccnc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Cn1ccnc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cn1cnc(c1)-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Cn1cnc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc12
Cn1cnc2ccc(NCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Cn1cnc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2Cc3ccccc3C2)c1
Cn1cnc2ccc(cc12)-c1cccc(OC[C@@H](O)CN2Cc3ccccc3C2)c1 |r|
Cn1cnc2ccc(cc12)-c1cccc(OC[C@H](O)CN2Cc3ccccc3C2)c1 |r|
Cn1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Cn1nc(NC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cn1nc(cc1NC1CCOCC1)C(=O)NCC(O)CN1CCc2ccccc2C1
Cn1ncc(c1-c1c(Cl)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.53,-17.11,;21.06,-16.95,;21.83,-15.61,;23.34,-15.94,;23.5,-17.46,;22.09,-18.09,;21.77,-19.6,;22.92,-20.64,;24.02,-20.27,;22.59,-22.14,;21.13,-22.62,;19.98,-21.58,;18.52,-22.06,;17.38,-21.03,;15.87,-20.71,;16.9,-19.57,;20.31,-20.08,;19.16,-19.05,;18.02,-18.02,;24.84,-18.23,;24.84,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.84,-17.46,;28.84,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.84,-20.54,;28.84,-22.09,)|
Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)|
Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)|
Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)|
Cn1ncc(c1-c1c(F)cccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;.31,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-3.9,-1.17,;-4.99,-.08,;-6.08,1.01,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|
Cn1ncc(c1-c1cc(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;.05,-3.39,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)|
Cn1ncc(c1-c1cc2ccccc2cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,2.05,;-3.17,2.82,;-2.7,4.28,;-1.16,4.28,;-.68,2.82,;-1.93,1.91,;-2.32,.42,;-1.23,-.66,;-1.63,-2.15,;-.54,-3.24,;-.94,-4.73,;-2.43,-5.13,;-3.52,-4.04,;-3.12,-2.55,;-4.21,-1.46,;-3.81,.03,;-4.9,1.11,;-5.99,2.2,;.65,2.05,;.65,.51,;1.99,-.26,;3.32,.51,;3.32,2.05,;1.99,2.82,;4.66,2.82,;4.66,4.36,;3.32,5.13,;5.99,2.05,;5.99,.51,;4.66,-.26,;4.66,-1.8,)|
Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|
Cn1ncc(c1-c1cccc(Cl)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.5,.76,;-3.17,1.53,;-2.7,2.99,;-1.16,2.99,;-.68,1.53,;-1.93,.62,;-2.32,-.86,;-1.23,-1.95,;-1.63,-3.44,;-3.12,-3.84,;-4.21,-2.75,;-5.7,-3.15,;-3.85,-1.22,;-4.94,-.13,;-6.03,.95,;.65,.76,;.65,-.78,;1.99,-1.55,;3.32,-.78,;3.32,.76,;1.99,1.53,;4.66,1.53,;4.66,3.07,;3.32,3.84,;5.99,.76,;5.99,-.78,;4.66,-1.55,;4.66,-3.09,)|
Cn1ncc(c1-c1cccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)|
Cn1ncc(c1-c1ccccc1)-c1ccc2c(c1)c(CN)n[nH]c2=O
Cn1ncc(c1-c1ccccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.48,2.08,;-2.94,2.08,;-2.03,3.33,;-.57,2.85,;-.57,1.31,;-2.03,.84,;-2.43,-.65,;-1.34,-1.74,;-1.74,-3.23,;-3.23,-3.62,;-4.32,-2.54,;-3.92,-1.05,;-5.01,.04,;-6.1,1.13,;.76,.54,;.76,-1,;2.1,-1.77,;3.43,-1,;3.43,.54,;2.1,1.31,;4.76,1.31,;4.76,2.85,;3.43,3.62,;6.1,.54,;6.1,-1,;4.76,-1.77,;4.76,-3.31,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cc(C(F)F)c2c(c1)c(CN)n[nH]c2=O |(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;2.12,-2.1,;3.45,-2.87,;.78,-2.87,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cc(Cl)c2c(c1)c(CN)n[nH]c2=O |(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;2.12,-2.1,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cc(O)c2c(c1)c(CN)n[nH]c2=O |(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;2.12,-2.1,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cc([C@@H]2CCCO2)c2c(c1)c(CN)n[nH]c2=O |r,wD:20.22,(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;2.12,-2.1,;3.36,-3.01,;2.89,-4.47,;1.35,-4.47,;.87,-3.01,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cc([C@H]2CCCO2)c2c(c1)c(CN)n[nH]c2=O |r,wU:20.22,(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;2.12,-2.1,;3.36,-3.01,;2.89,-4.47,;1.35,-4.47,;.87,-3.01,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.27,1.79,;-2.94,2.56,;-2.46,4.02,;-.92,4.02,;-.45,2.56,;-1.69,1.65,;-2.09,.16,;-1.19,-1.08,;-2.09,-2.33,;-1.77,-3.84,;-2.91,-4.87,;-4.38,-4.39,;-4.7,-2.88,;-3.56,-1.85,;-3.56,-.31,;-4.8,.59,;-6.05,1.5,;.89,1.79,;.89,.25,;2.22,-.52,;3.56,.25,;3.56,1.79,;2.22,2.56,;4.89,2.56,;4.89,4.1,;3.56,4.87,;6.22,1.79,;6.22,.25,;4.89,-.52,;4.89,-2.06,)|
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cnc2c(c1)c(CN)n[nH]c2=O |(-4.53,2.41,;-3.04,2.81,;-2.43,4.18,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.82,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2cccnc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ccncc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.53,2.41,;-3.04,2.81,;-2.43,4.18,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.82,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2cnccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc(c1-c1sc2ncccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.53,2.42,;-3.04,2.81,;-2.43,4.19,;-.89,4.01,;-.55,2.52,;-1.89,1.75,;-1.89,.21,;-.64,-.7,;-1.12,-2.16,;-.35,-3.49,;-1.12,-4.83,;-2.65,-4.83,;-3.43,-3.5,;-2.66,-2.16,;-3.13,-.7,;-4.62,-.3,;-6.11,.1,;.78,1.75,;.78,.2,;2.12,-.56,;3.44,.21,;3.44,1.75,;2.11,2.52,;4.78,2.52,;4.78,4.06,;6.11,4.83,;6.11,1.75,;6.11,.21,;4.78,-.56,;4.78,-2.1,)|
Cn1ncc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc12
Cn1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Cn1ncc2ccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)cc12 |r|
Cn1ncc2ccc(OCC(=O)NC[C@@H](O)CN3Cc4ccccc4C3)cc12 |r|
Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc12 |r|
Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc12 |r|
Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Cn1nccc1-c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Cn1nccc1C(=O)NCC(O)CN1CCc2ccccc2C1
Cn1nccc1Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
FC(CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1
FC(F)(F)c1ccc(COc2ccc(cc2)-c2nc3cc(cnc3[nH]2)C2CCNCC2)cc1
FC(F)(F)c1ccc(COc2ccc(cc2)-c2nc3ccc(nc3[nH]2)N2CCNCC2)cc1
FC(F)(F)c1ccccc1COc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1
Fc1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Fc1ccc(COc2ccc(cc2)-c2nc3ccc(nc3[nH]2)N2CCNCC2)cc1
Fc1cccc(COc2ccc(cc2)-c2nc3ccc(nc3[nH]2)N2CCNCC2)c1
Fc1ccccc1COc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1
NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1
NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23|
NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(nc1)C(N)=N
NC(=O)C(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1
NC(=O)CCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
NC(=O)CN1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
NC(=O)CN1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
NC(=O)CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
NC(=O)CNCCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
NC(=O)CNCc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
NC(=O)COc1ccccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
NC(=O)NN=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:4.3|
NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1N
NC(=O)N\N=C\c1ccc(o1)-c1ccc(F)cc1
NC(=O)N\N=C\c1ccc(o1)-c1ccc(N)cc1
NC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
NC(=O)N\N=C\c1ccc(o1)-c1cccc(F)c1
NC(=O)N\N=C\c1ccc(o1)-c1ccccc1
NC(=O)N\N=C\c1cccc(c1)-c1ccc(Cl)cc1
NC(=O)N\N=C\c1cccc(n1)-c1ccc(Cl)cc1
NC(=O)N\N=C\c1cncc(c1)-c1ccc(Cl)cc1
NC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:20.22,wD:3.2,6.9,(-12,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-.77,;-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;9.34,.77,;8,1.54,)|
NC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:3.2,20.22,wD:6.9,(-12,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-.77,;-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;9.34,.77,;8,1.54,)|
NC(=O)c1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
NC(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
NC(=O)c1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
NC(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
NC(=O)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
NC(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
NC(=S)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
NC1=NC(=CC2=NC(CO)CN12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,c:3,t:1,5|
NC1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
NCC1CCCN(C1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
NCC1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
NCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
NCCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
NCCOc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
NCC[C@@H]1CCCN1C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
NCc1n[nH]c(=O)c2ccc(cc12)-c1ccccc1
NCc1n[nH]c(=O)c2ccc(cc12)-c1cccnc1
NCc1n[nH]c(=O)c2ccc(cc12)-c1cccnn1
NCc1n[nH]c(=O)c2ccc(cc12)-c1cncs1
NCc1n[nH]c(=O)c2ccc(cc12)-c1cnn(CCO)c1
NCc1n[nH]c(=O)c2ccc(cc12)-c1cnsc1
NCc1n[nH]c(=O)c2ccccc12
NCc1nnc(O)c2ccc(cc12)-c1ccccn1
NS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
NS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
NS(=O)(=O)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
NS(=O)(=O)c1ccccc1C(=O)NCC(O)CN1CCc2ccccc2C1
NS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 |r|
N[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 |r|
N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CCNC(=N)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c(N)ncnc12)C(O)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
N[C@@H](CC[C@H](N)C(O)=O)\C=C1/O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(Cl)c(F)c1
N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(F)c(F)c1
N[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 |r|
N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 |r|
N[C@H]1CC[C@@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:1.0,18.20,wD:4.7,(-11.34,-2.31,;-10,-1.54,;-10,,;-8.67,.77,;-7.34,,;-7.34,-1.54,;-8.67,-2.31,;-6,.77,;-4.67,,;-3.33,.77,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-.67,.77,;-.67,2.31,;.67,,;2,.77,;3.33,,;3.33,-1.54,;4.67,.77,;6,,;6,-1.54,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;11.34,-1.54,;11.34,,;10,.77,;8.67,,;7.34,.77,)|
N[C@H]1CC[C@H](CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,wU:1.0,4.7,18.20,(-11.34,-2.31,;-10,-1.54,;-10,,;-8.67,.77,;-7.34,,;-7.34,-1.54,;-8.67,-2.31,;-6,.77,;-4.67,,;-3.33,.77,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-.67,.77,;-.67,2.31,;.67,,;2,.77,;3.33,,;3.33,-1.54,;4.67,.77,;6,,;6,-1.54,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;11.34,-1.54,;11.34,,;10,.77,;8.67,,;7.34,.77,)|
Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Nc1ccc(CC[C@H]2C[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)cn1 |r|
Nc1ccc(cn1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
Nc1ccc2ccc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2n1 |r|
Nc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3ccc4c(N)ncnc34)cc2n1 |r|
Nc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C(F)(F)F)n3ccc4c(N)ncnc34)cc2n1 |r|
Nc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C=C)n3ccc4c(N)ncnc34)cc2n1 |r|
Nc1cccc(CCC[C@@H]2C[C@@H]([C@@H](O)[C@H]2O)n2ccc3c(N)ncnc23)n1 |r|
Nc1cccc(Nc2ncnc3n(Cc4ccccc4)ncc23)c1
Nc1cccc(c1)-c1cn(CC(O)CN2CCc3ccccc3C2)nn1
Nc1cccc(c1)C(=O)NCC(O)CN1Cc2ccccc2C1
Nc1nc2cc(CC[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|
Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|
Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Nc1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
Nc1ncnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
Nc1ncnc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc12
Nc1ncnc2c(coc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Nc1ncnc2n(cc(Br)c12)[C@@H]1C[C@H](Oc2cc(Cl)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(Br)c12)[C@@H]1C[C@H](Oc2cc(F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(Br)c12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C#N)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(Br)c12)[C@@H]1C[C@H](Oc2ccc(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(Cl)c12)[C@@H]1C[C@H](Oc2cc(Cl)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(Cl)c12)[C@@H]1C[C@H](Oc2cc(F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(Cl)c12)[C@@H]1C[C@H](Oc2ccc(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(Br)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(Br)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(Cl)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(Cl)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(F)c(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(F)cc3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cc(cc3CCNCc23)C(F)F)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2ccc(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cccc3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H](Oc2cccc3ccncc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H]([C@@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1C[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H](Cc2ccc(F)cc2)[C@@H](O)[C@H]1O
Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccccc1
Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cn2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(=O)c2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@H]1OC(=O)c2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](COc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](OCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](Oc2ccc(F)c3CCNCc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](Sc2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H]([C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](\C=C\c2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(=O)Cc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC(O)Cc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCC(F)(F)c2ccccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(Cl)cccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(F)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2ccc(Cl)cc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCOCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@@H](F)c2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(F)c(F)cc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCCc2cc(Cl)sc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@H]1OCc2cc(Cl)ccc12 |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CCCC22CCNCC2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@H](COc2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCCCC2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN2CCCC22CCNCC2)[C@@H](O)[C@H]1O |r|
O=C(NCCCN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1
O=C(NCCCN1Cc2ccccc2C1)c1cc(NC2COC2)ncn1
O=C(Nc1ccc(cc1)-c1nc2cccnc2[nH]1)c1ccccc1
O=C1CN(CCN1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
O=C1CN(CCN1)c1ncnc2[nH]c(cc12)-c1ccc(OCc2ccccc2)cc1
O=C1CNCCN1c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
O=S(=O)(C1CC1)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
O=S(=O)(C1CC1)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
O=S1(=O)CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
O=S1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
OC(=O)Cc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
OC(=O)Cc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
OC(=O)c1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
OC(CCNC(=O)c1ccc(Cl)cc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(Cl)cc1)CNC1Cc2ccccc2C1
OC(CCNC(=O)c1ccc(OC(F)(F)F)cc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(O[H]C(F)F)cc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)-c1ccccc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)C#N)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)C(=O)N1CCC1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)C(=O)N1CCCC1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)C(F)(F)F)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)N1CCCCC1=O)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)S(=O)(=O)C(F)(F)F)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)S(=O)C(F)(F)F)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(cc1)S(F)(F)(F)(F)F)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc(nc1)N1CCOCC1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc2OC(F)(F)Oc2c1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccc2oc(=O)[nH]c2c1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cccc(Cl)c1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cccc(c1)-c1ccccc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cccc(c1)-c1ccnnc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cccc(c1)C#N)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cccc(c1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cccnc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccn(Cc2ccccc2)c(=O)c1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccnc(Cl)c1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1ccnn1-c1cccnc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cncc(Cl)n1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1cnn(c1)-c1ccccn1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1coc(n1)-c1ccccc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1nnc(o1)-c1ccccc1)CN1CCc2ccccc2C1
OC(CCNC(=O)c1noc(n1)-c1ccccc1)CN1CCc2ccccc2C1
OC(CN1C(=O)Cc2ccccc12)CN1CCc2ccccc2C1
OC(CN1CC(CC1=O)C(=O)NC1CCOCC1)CN1CCc2ccccc2C1
OC(CN1CCN(Cc2ccc(nc2)C2CC2)C1=O)CN1CCc2ccccc2C1
OC(CN1CCc2ccccc2C1)CN1C(=O)COc2ccccc12
OC(CN1CCc2ccccc2C1)CN1CCCc2cc(OC(F)(F)F)ccc2C1=O
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)C1CCOCC1
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1ccc(Cl)cc1
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cccc(Cl)c1
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cccc(F)c1
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cccc(c1)N1CCOCC1
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cccc2cccnc12
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1ccccc1Cl
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1cncc(c1)N1CCOCC1
OC(CN1CCc2ccccc2C1)CN1CCN(Cc2ccccc2)CC1=O
OC(CN1CCc2ccccc2C1)CN1CCN(Cc2ccccn2)CC1=O
OC(CN1CCc2ccccc2C1)CN1CCN(Cc2cccnc2)CC1=O
OC(CN1CCc2ccccc2C1)CN1CCOCC1=O
OC(CN1CCc2ccccc2C1)CN1CCOc2ccccc2C1=O
OC(CN1CCc2ccccc2C1)Cc1cccc(=O)[nH]1
OC(CN1CCc2ccccc2C1)Cn1cc(nn1)-c1cccc(NC2CCC2)c1
OC(CN1CCc2ccccc2C1)Cn1cc(nn1)-c1cccc(NC2CCOCC2)c1
OC(CN1CCc2ccccc2C1)Cn1cc(nn1)-c1cccc(c1)[N+]([O-])=O
OC(CN1CCc2ccccc2C1)Cn1ccc(cc1=O)C(=O)NC1CCOCC1
OC(CN1CCc2ccccc2C1)Cn1cnc(cc1=O)C(=O)NC1CCOCC1
OC(CNC(=O)C(O)c1ccccc1)CN1CCc2ccccc2C1
OC(CNC(=O)CCc1ccccc1)CN1CCc2ccccc2C1
OC(CNC(=O)CCc1nc2ccccc2[nH]1)CN1Cc2ccccc2C1
OC(CNC(=O)CNc1ccccc1)CN1CCc2ccccc2C1
OC(CNC(=O)COC1CCCCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COC1CCCOC1)CN1CCc2ccccc2C1
OC(CNC(=O)COC1CCOC1)CN1CCc2ccccc2C1
OC(CNC(=O)COC1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COCCN1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COCc1cccnc1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccc(F)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccc(cc1)C#N)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccc2cnn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccc2n(ncc2c1)C1CCNC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc(CN2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc(F)c1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc(c1)C#N)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc(c1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2CCCCc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2CCNCc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2CNCCc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2N(Cc3ccccc3)CCCc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2NC(=O)COc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2NCCCc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2OCCOc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2[nH]c(=O)cnc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2ccc(nc12)N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2ccccc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C(F)(F)C1
OC(CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1
OC(CNC(=O)COc1cccc2cncnc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2cnncc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2ncc(=O)[nH]c12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cccc2nccnc12)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1-c1c[nH]cn1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1Cc2ccccc2C1
OC(CNC(=O)COc1ccccc1-c1ncc[nH]1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1C#N)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1C1CCCCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1C1CCCNC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1C1CCNC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1C1CCNCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1C1CNC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1F)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1N1CCNCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCC(O)C1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCNCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cncc(CN2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)COc1cncc(c1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)Cc1cccc2cccnc12)CN1CCc2ccccc2C1
OC(CNC(=O)Cc1ccncc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cc(Cl)cc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cc(F)cc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cc(NC2CCOCC2)ccc1F)CN1CCc2ccccc2C1
OC(CNC(=O)c1cc(NC2CCOCC2)ccn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cc(NC2CCOCC2)n[nH]1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(CN2CCNCC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(F)c(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(NC2CCN(CC(F)(F)F)CC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(NC2CCNCC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(NC2CCOC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(NC2CCOCC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(OC2CCNC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(OC2CCNCC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(OC2CCOCC2)cc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(cc1)-n1cncn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C1Cc2ccccc2CN1
OC(CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)CC1Cc2ccccc2CN1
OC(CNC(=O)c1ccc(cc1)N1CCS(=O)(=O)CC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc2NC(=O)COc2c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc2NCCOc2c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc2ncccc2c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccc2nccnc2c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CN2CCN(CC(O)=O)CC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CN2CCN(CCCC(O)=O)CC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CN2CCNCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CN2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(CNC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCCOC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCN(CC(F)(F)F)C2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCNC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCNCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCOC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCOCC2)c1F)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2CCOCC2O)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NC2COC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NCCN2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(NN2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(OC2CCN(CC(F)(F)F)C2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(OC2CCNC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(OC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(OCCN2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)-c1cc[nH]n1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1Cc2ccccc2C1
OC(CNC(=O)c1cccc(c1)-c1cccnc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)-c1ccncc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)-n1cncn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)C1CCCN1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)C1CCNC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)C1CCOC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)C1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)N1CCNCC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)N1CCOCC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccc(c1)N1CCS(=O)(=O)CC1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccccc1-c1ccccn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccccn1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cccnc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccn[nH]1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ccnc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cn[nH]c1-c1ccccc1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cncc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
OC(CNC(=O)c1cncc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
OC(CNC(=O)c1ncc[nH]1)CN1CCc2ccccc2C1
OC(CNC(=O)c1nccc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
OC(CNC1CCc2cc(F)ccc2C1)CNC(=O)c1ccc(Cl)cc1
OC(CNC1CCc2ccc(F)cc2C1)CNC(=O)c1ccc(Cl)cc1
OC(CNC1CCc2ccccc2C1)CNC(=O)c1ccc(Cl)cc1
OC(CNC1Cc2ccc(Br)cc2C1)CNC(=O)c1ccc(Cl)cc1
OC(CNC1Cc2ccccc12)CNC(=O)c1ccc(Cl)cc1
OC(CNC1Cc2ccccc2C1)CN1CCN(Cc2ccc(cn2)-c2cnc(nc2)C#N)C1=O
OC(CNC1Cc2ccccc2C1)CN1CCN(Cc2ccc(cn2)C2CCOCC2)C1=O
OC(CNC1Cc2ccccc2C1)CN1CCN(Cc2ccc(cn2)N2C3CCC2COC3)C1=O |THB:22:25:30.31.32:27.28|
OC(CNC1Cc2ccccc2C1)CNC(=O)c1cc([nH]n1)-c1ccccn1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(Cl)cc1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)-c1ccccc1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CC2CCC(C1)O2
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCCCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)N1CCCCC1=O
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1F)C(=O)N1CCOCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(nc1)C(=O)N1CCCCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc2CCN(Cc2c1)C(=O)CC1CC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc2CN(CCc2c1)C(=O)CC1CC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc2CN(Cc2c1)C(=O)CC1CC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1cccc(c1)-c1ccccc1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccccc1-c1ccccc1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccccc1OCC(F)(F)F
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccn(Cc2ccccc2)c(=O)c1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccnc(NC2CCCC2)c1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccnc(c1)-n1cccn1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccnc(c1)N1CCCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1ccnc(c1)N1CCOCC1
OC(CNC1Cc2ccccc2C1)CNC(=O)c1cnn(c1)-c1cccnc1
OC(CNCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1
OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1
OC([C@H]1C[C@@H](Nc2ncnc3c(cccc23)C#N)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 |r|
OC([C@H]1C[C@H](Nc2ncnc3c(cccc23)C#N)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 |r|
OC(c1ccccc1)c1ccc(cc1)-c1nc2ccc(Cl)nc2[nH]1
OCC#Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
OCC(CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1
OCC1CCCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
OCC1CCCN(Cc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C1 |r|
OCC1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1 |r|
OCC1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1 |r|
OCC1CN2C=NC(=CC2=N1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,c:5,7,10|
OCCCNc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
OCCN1CCC(CC1)Oc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
OCCN1CCC(CC1)Oc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
OCCN1CCC(Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)C(F)C1 |r|
OCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
OCCN1CC[C@@H](Oc2ccc3c(OCCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)c2)[C@H](F)C1 |r|
OCCNCCOc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
OC[C@@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
OC[C@@H]1CN2C=NC(=CC2=N1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,c:5,7,10|
OC[C@H]1CCCN1Cc1ccc2c(OCCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)c1 |r|
OC[C@H]1CN2C=NC(=CC2=N1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r,c:5,7,10|
OCc1ccc(cc1)N1CCN(CC(O)CN2CCc3ccccc3C2)C(=O)C1
OCc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
OCc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
O[C@@H](CN1CCN(Cc2cc(ccn2)-c2cnc(nc2)C#N)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(N3C4CCC3COC4)c(F)c2)C1=O)CN1CCc2ccccc2C1 |THB:11:12:17.18.19:14.15|
O[C@@H](CN1CCN(Cc2ccc(cc2)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |THB:11:14:19.20.21:16.17|
O[C@@H](CN1CCN(Cc2ccc(cc2F)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |THB:11:15:20.21.22:17.18|
O[C@@H](CN1CCN(Cc2ccc(cn2)-c2ccc(=O)[nH]c2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)-c2ccnc(O)c2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)-c2cnc(nc2)C#N)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)-c2cnc(nc2)C(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)-c2cncnc2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)-n2ccc(cc2=O)C#N)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)-n2ccccc2=O)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)C2=CCOCC2)C1=O)CN1CCc2ccccc2C1 |t:15|
O[C@@H](CN1CCN(Cc2ccc(cn2)C2CC3CCC(C2)O3)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)C2CCN(CC2)C(=O)C2CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)C2CCN(Cc3c[nH]nn3)CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)C2CCN(Cc3nn[nH]n3)CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)C2CCOCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)C2COC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2C3CC2COC3)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |THB:11:14:19.20.21:16.17|
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CC3(COC3)C2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CC3CCC(C2)O3)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCC(CC2)C#N)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCC(CC2)C(=O)N2CCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCC(CC2)C(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCC(CC2)C(O)=O)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCC3(COC3)CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCN(CC2)C(=O)C2CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(cn2)N2CCOCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)-c2ccc(=O)[nH]c2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)-c2cnc(nc2)C(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)C2CC3CCC(C2)O3)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)C2CCN(CC2)C(=O)C2CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)N2C3CC2COC3)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)N2C3CCC2CC(F)(F)C3)C1=O)CN1CCc2ccccc2C1 |TLB:11:14:16.17:20.23.19|
O[C@@H](CN1CCN(Cc2ccc(nc2)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |THB:11:14:19.20.21:16.17|
O[C@@H](CN1CCN(Cc2ccc(nc2)N2CC3CCC(C2)O3)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nc2)N2CCC(CC2)C(=O)N2CCCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ccc(nn2)C2CCOCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2cccc(n2)-c2cnc(nc2)C#N)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2cnc(cn2)-c2cccnc2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2cnc(cn2)C2CCN(CC2)C(=O)C2CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2cnc(cn2)C2CCOCC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2cnc(cn2)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |THB:11:14:19.20.21:16.17|
O[C@@H](CN1CCN(Cc2cnc(cn2)N2CCC(CC2)C#N)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2cnc(cn2)N2CCN(CC2)C(=O)C2CC2)C1=O)CN1CCc2ccccc2C1
O[C@@H](CN1CCN(Cc2ncc(cc2F)N2C3CCC2COC3)C1=O)CN1CCc2ccccc2C1 |THB:11:15:20.21.22:17.18|
O[C@@H](CN1CCc2ccccc2C1)CN1CCC(CC1=O)c1ccccc1 |r|
O[C@@H](CNC(=O)C1CCCc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)C1CNc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)C1COc2ccccc2O1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)CC1CCCCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)CC1CCc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)CC1Cc2ccccc2C1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1c(CN2CCOCC2)ccc2cccnc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1ccccc1N1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)COc1ccccc1OCCN1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)Cc1ccc2OCOc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)Cc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)Nc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)Oc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1c(O)ccc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1c[nH]c2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CC3(COC3)C2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCC2)nc(c1)N1CCCCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCC2)nc(c1)N1CCNCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCC2)nc(c1)N1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCN(CC(F)(F)F)C2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCN(CC2)C(=O)C2CC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCN(CC2)C(=O)C2CC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCN(CC2)C(=O)C2CCC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCN(CC2)C(=O)C2CCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCNC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCNCC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCNCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCOC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1Cc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CN(C2)C(=O)C2CC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CN(C2)C(=O)C2CC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CN(C2)C(=O)C2CCC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CN(CC(F)(F)F)C2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)nc(n1)C(F)(F)F)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)nc(n1)N1CCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)nc(n1)N1CCN(CC1)C(=O)C1CC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)nc(n1)N1CCNCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)nc(n1)N1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2CNC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)ccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(NC2COC2)n1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)C(F)(F)F)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)C(F)(F)F)CN1Cc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)C1CC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCCCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCN(CC1)C(=O)C1CC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCNCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCOCC1)CN1Cc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCCCC1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCCCc2ccccc12 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc12 |r|
O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(N[C@@H]2CCOC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(N[C@@H]2CC[C@H](O)CC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,wD:13.13,10.9,(3.33,-1.54,;3.33,,;2,.77,;.67,,;-.67,.77,;-.67,2.31,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-7.34,,;-7.34,-1.54,;-8.67,-2.31,;-10,-1.54,;-11.34,-2.31,;-10,,;-8.67,.77,;-4.67,-1.54,;-3.33,-2.31,;-2,-1.54,;4.67,.77,;6,,;6,-1.54,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;11.34,-1.54,;11.34,,;10,.77,;8.67,,;7.34,.77,)|
O[C@@H](CNC(=O)c1cc(N[C@@H]2C[C@H](O)C2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,wD:10.9,12.12,(2.94,-1.54,;2.94,,;1.61,.77,;.28,,;-1.06,.77,;-1.06,2.31,;-2.39,,;-3.73,.77,;-5.06,,;-6.39,.77,;-7.72,0,;-8.12,-1.49,;-9.61,-1.08,;-10.95,-1.85,;-9.21,.4,;-5.06,-1.54,;-3.73,-2.31,;-2.39,-1.54,;4.28,.77,;5.61,,;5.61,-1.54,;6.94,-2.31,;8.28,-1.54,;9.61,-2.31,;10.95,-1.54,;10.95,,;9.61,.77,;8.28,,;6.94,.77,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2CCOC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCCCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,wD:13.16,(5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;1.33,3.08,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-6.67,-1.54,;-8,-.77,;-8,.77,;-6.67,1.54,;-9.34,-1.54,;-9.34,-3.08,;-10.67,-.77,;-10.67,.77,;-12,1.54,;-13.34,.77,;-13.34,-.77,;-12,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;12,-1.54,;13.34,-.77,;13.34,.77,;12,1.54,;10.67,.77,;9.34,1.54,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2CC[C@H](CC2)C(=O)N2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:13.16,10.9,1.0,(5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;1.33,3.08,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-6.67,-1.54,;-8,-.77,;-8,.77,;-6.67,1.54,;-9.34,-1.54,;-9.34,-3.08,;-10.67,-.77,;-10.67,.77,;-12,1.54,;-13.34,.77,;-13.34,-.77,;-12,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;12,-1.54,;13.34,-.77,;13.34,.77,;12,1.54,;10.67,.77,;9.34,1.54,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2CC[C@H](O)CC2)ncn1)CN1CCc2ccccc2C1 |r,wU:10.9,1.0,wD:13.13,(3.33,-1.54,;3.33,,;2,.77,;.67,,;-.67,.77,;-.67,2.31,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-7.34,,;-7.34,-1.54,;-8.67,-2.31,;-10,-1.54,;-11.34,-2.31,;-10,,;-8.67,.77,;-4.67,-1.54,;-3.33,-2.31,;-2,-1.54,;4.67,.77,;6,,;6,-1.54,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;11.34,-1.54,;11.34,,;10,.77,;8.67,,;7.34,.77,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@@H](C2)C(=O)N2CCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,wD:12.14,(4.55,-1,;4.55,.54,;3.22,1.31,;1.89,.54,;.55,1.31,;.55,2.85,;-.78,.54,;-2.11,1.31,;-3.45,.54,;-4.78,1.31,;-6.12,.54,;-6.51,-.94,;-8,-.54,;-7.6,.94,;-9.34,-1.31,;-9.34,-2.85,;-10.67,-.54,;-11.07,.94,;-12.56,.54,;-12.16,-.94,;-3.45,-1,;-2.11,-1.77,;-.78,-1,;5.89,1.31,;7.22,.54,;7.22,-1,;8.55,-1.77,;9.89,-1,;11.22,-1.77,;12.56,-1,;12.56,.54,;11.22,1.31,;9.89,.54,;8.55,1.31,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@@H](C2)C(=O)N2CCCCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,wD:12.14,(4.94,-1,;4.94,.54,;3.61,1.31,;2.28,.54,;.94,1.31,;.94,2.85,;-.39,.54,;-1.72,1.31,;-3.06,.54,;-4.39,1.31,;-5.73,.54,;-6.12,-.94,;-7.61,-.54,;-7.21,.94,;-8.95,-1.31,;-8.95,-2.85,;-10.28,-.54,;-10.28,1,;-11.61,1.77,;-12.95,1,;-12.95,-.54,;-11.61,-1.31,;-3.06,-1,;-1.72,-1.77,;-.39,-1,;6.28,1.31,;7.61,.54,;7.61,-1,;8.95,-1.77,;10.28,-1,;11.61,-1.77,;12.95,-1,;12.95,.54,;11.61,1.31,;10.28,.54,;8.95,1.31,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@@H](C2)N2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,wD:12.14,(4.28,-.61,;4.28,.93,;2.94,1.7,;1.61,.93,;.28,1.7,;.28,3.24,;-1.06,.93,;-2.39,1.7,;-3.72,.93,;-5.06,1.7,;-6.39,.93,;-6.79,-.56,;-8.28,-.16,;-7.88,1.33,;-9.61,-.93,;-10.95,-.16,;-12.28,-.93,;-12.28,-2.47,;-10.95,-3.24,;-9.61,-2.47,;-3.72,-.61,;-2.39,-1.38,;-1.06,-.61,;5.61,1.7,;6.94,.93,;6.94,-.61,;8.28,-1.38,;9.61,-.61,;10.95,-1.38,;12.28,-.61,;12.28,.93,;10.95,1.7,;9.61,.93,;8.28,1.7,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@H](C2)C(=O)N2CCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,12.14,(4.55,-1,;4.55,.54,;3.22,1.31,;1.89,.54,;.55,1.31,;.55,2.85,;-.78,.54,;-2.11,1.31,;-3.45,.54,;-4.78,1.31,;-6.12,.54,;-6.51,-.94,;-8,-.54,;-7.6,.94,;-9.34,-1.31,;-9.34,-2.85,;-10.67,-.54,;-11.07,.94,;-12.56,.54,;-12.16,-.94,;-3.45,-1,;-2.11,-1.77,;-.78,-1,;5.89,1.31,;7.22,.54,;7.22,-1,;8.55,-1.77,;9.89,-1,;11.22,-1.77,;12.56,-1,;12.56,.54,;11.22,1.31,;9.89,.54,;8.55,1.31,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@H](C2)C(=O)N2CCCCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,12.14,(4.94,-1,;4.94,.54,;3.61,1.31,;2.28,.54,;.94,1.31,;.94,2.85,;-.39,.54,;-1.72,1.31,;-3.06,.54,;-4.39,1.31,;-5.73,.54,;-6.12,-.94,;-7.61,-.54,;-7.21,.94,;-8.95,-1.31,;-8.95,-2.85,;-10.28,-.54,;-10.28,1,;-11.61,1.77,;-12.95,1,;-12.95,-.54,;-11.61,-1.31,;-3.06,-1,;-1.72,-1.77,;-.39,-1,;6.28,1.31,;7.61,.54,;7.61,-1,;8.95,-1.77,;10.28,-1,;11.61,-1.77,;12.95,-1,;12.95,.54,;11.61,1.31,;10.28,.54,;8.95,1.31,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@H](C2)N2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,12.14,(4.28,-.61,;4.28,.93,;2.94,1.7,;1.61,.93,;.28,1.7,;.28,3.24,;-1.06,.93,;-2.39,1.7,;-3.72,.93,;-5.06,1.7,;-6.39,.93,;-6.79,-.56,;-8.28,-.16,;-7.88,1.33,;-9.61,-.93,;-10.95,-.16,;-12.28,-.93,;-12.28,-2.47,;-10.95,-3.24,;-9.61,-2.47,;-3.72,-.61,;-2.39,-1.38,;-1.06,-.61,;5.61,1.7,;6.94,.93,;6.94,-.61,;8.28,-1.38,;9.61,-.61,;10.95,-1.38,;12.28,-.61,;12.28,.93,;10.95,1.7,;9.61,.93,;8.28,1.7,)|
O[C@@H](CNC(=O)c1cc(N[C@H]2C[C@H](O)C2)ncn1)CN1CCc2ccccc2C1 |r,wU:1.0,10.9,wD:12.12,(2.94,-1.54,;2.94,,;1.61,.77,;.28,,;-1.06,.77,;-1.06,2.31,;-2.39,,;-3.72,.77,;-5.06,,;-6.39,.77,;-7.73,,;-8.12,-1.49,;-9.61,-1.09,;-10.95,-1.86,;-9.21,.4,;-5.06,-1.54,;-3.72,-2.31,;-2.39,-1.54,;4.28,.77,;5.61,,;5.61,-1.54,;6.94,-2.31,;8.28,-1.54,;9.61,-2.31,;10.95,-1.54,;10.95,,;9.61,.77,;8.28,,;6.94,.77,)|
O[C@@H](CNC(=O)c1cc(Nc2cc[nH]n2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(O)nc(NC2CCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(OC2CCNCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(OC2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc(OC2CNC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc2cccc(Cl)c2[nH]1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc2ccccc2[nH]1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cc2ccccc2o1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OC2CCCNC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCCN2CCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCCN2CCCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCCN2CCCCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCCN2CCOCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCN2CCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCN2CCCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCN2CCCCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(OCCN2CCOCC2)cc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)[C@@H]1Cc2ccccc2CN1
O[C@@H](CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)[C@H]1Cc2ccccc2CN1
O[C@@H](CNC(=O)c1ccc2CCCCc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2CCCNc2c1O)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OC3(CCC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OC3(CCCC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OC3(CCCCC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OC3(CCOCC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OC3(COC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OC3(CS(=O)(=O)C3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OCCOc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OCCc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2OCOc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2O[C@@]3(CCOC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2O[C@]3(CCOC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2[C@@H]3C[C@@H]3C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2[nH]ccc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2cc(O)ccc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2cccnc2c1O)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2ncccc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccc2ncsc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(NC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(NC2COC2)n1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(OC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc(c1)-c1ccccn1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc2OCCOc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc2[nH]cnc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cccc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCCCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCN(CC(F)(F)F)C2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCN(CC2)C(=O)C2CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCN(CC2)C(=O)C2CCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCNC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCNCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1Cc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CN(C2)C(=O)C2CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2CN(C2)C(=O)C2CCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NC2COC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCC2CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCC2CCCCN2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCC2CCCNC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCC2CCNCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCC2CNCCO2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCCNCC(F)(F)F)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCc2ccccn2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCc2cccnc2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(NCc2ccncc2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(Nc2cc[nH]n2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(Nc2ccccn2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(Nc2cccnc2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(OC2CCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(OC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(OC2CCNCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(OC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ccnc(OCCNCC(F)(F)F)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cn2nc(Cl)ccc2n1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnc2CC3(CC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnc2OC3(CC(F)(F)C3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnc2OC3(CC3)C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnc2[C@H]3C[C@H]3C(=O)Nc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnc2ccccc2c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnc2ccccc2n1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2CCN(CC(F)(F)F)C2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2CCNC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2COC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(NC2COC2)n1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(OC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(OC2CCNCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cncc(OC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnnc(NC2CCNC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnnc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnnc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnnc(NC2COC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1cnnc(OC2CCNCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1csc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1n[nH]c2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1nc2cc(Br)ccc2[nH]1)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1nccc2ccccc12)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ncnc(NC2COC2)c1Cl)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC(=O)c1ncnc(NC2COC2)c1F)CN1CCc2ccccc2C1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CN1CCN(Cc2ccc(cn2)C2CCOCC2)C1=O |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(CC(=O)N2CCCC2)cc1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(CC(=O)N2CCCCC2)nc1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(CC(=O)N2CCOCC2)cc1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(Cl)cc1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)C1CCS(=O)(=O)CC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CC2(COC2)C1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CC2CCC(C1)O2 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCC(O)CC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCC2(CCO2)CC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1)C(=O)N1CCOCC11CCC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1Cl)C(=O)N1C2CCC1COC2 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(cc1F)C(=O)N1C2CCC1COC2 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(nc1)C(=O)N1CCCCC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(nc1)N1CCOCC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc(OC(F)F)c1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc(c1)C(=O)N1CCOCC1 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc(c1)C(F)F |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc2[nH]cnc12 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc2[nH]ncc12 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc2cn[nH]c12 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc2ncsc12 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1cccc2scnc12 |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccccc1C(F)(F)F |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccccc1C(F)F |r|
O[C@@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccccc1Cl |r|
O[C@@H]([C@@H]1C[C@@H](Nc2ncnc3[nH]ccc23)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 |r|
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(CF)ncnc12)c1ccc(F)c(F)c1
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Cl)ncnc12)c1ccc(F)c(F)c1 |r|
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(ncnc12)C(F)F)c1ccc(F)c(F)c1
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(ncnc12)C(F)F)c1ccc(F)cc1
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(Cl)c(F)c1
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2cncnc12)c1ccc(F)c(F)c1
O[C@@H]1[C@H](C[C@H]([C@@H]1O)n1cc(F)c2c(Cl)ncnc12)Oc1cccc2CCNCc12 |r|
O[C@@H]1[C@H](C[C@H]([C@@H]1O)n1ccc2cncnc12)Oc1cccc2CCNCc12 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCC(CC1=O)c1ccccc1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(Br)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(Cl)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(O)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(OC(F)(F)F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCCc2cc(ccc2C1=O)C#N |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(Br)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CCC(F)(F)F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CC4(COC4)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CC4CC3CO4)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CC4CCCC4C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)(F)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)(F)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(F)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(O)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC(O)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCC4(COC4)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC(F)(F)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC(F)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC(O)C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCCOCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCOCC3)cc(F)c2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCOCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(CN3CCn4cccc4C3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CC4CCC(C3)N4CCF)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCC(=O)NC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC#N)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C#N)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C(=O)C(F)F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C3CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C3CCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CC3)C3COC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CCF)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCN(CCF)CC3F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CCOCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CN(C3)C(=O)C(F)F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CN(C3)C(=O)C3CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OC3CN(C3)C3COC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC(F)(F)F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC3CCCCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC3CCCCO3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCC3CCCO3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCCN3CCCC3=O)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCCN3CCOCC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3cc(Cl)nc(Cl)c3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccc(F)cn3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccc(F)nc3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3cccnc3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccnc(F)c3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccnc(F)c3F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccncc3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(OCc3ccncc3F)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(Oc3ncc(F)cn3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)-c1cccnc1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)-c1ccncc1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C#Cc1cccnc1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C#Cc1ccncc1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)C1CC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)C1CCCC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1C2CCC1COC2 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CC2CCC1C2 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CC2CCCC2C1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(CC1)C(F)(F)F |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(F)(F)C1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(F)(F)CC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCC(F)CC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCC(C1)C(F)(F)F |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCC(F)C1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCCCC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(=O)N1CCOC(F)(F)C1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C(F)(F)F |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C1=CCNCC1 |r,t:30|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C1=CCOCC1 |r,t:30|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cc(ccc2C1=O)C1CCOCC1 |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2ccccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2cnccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2nc(Cl)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1CCOc2nc(OC3CCN(CCF)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)CN1C[C@@H](O)Oc2cc(CN3CCC4(COC4)CC3)ccc2C1=O |r|
O[C@H](CN1CCc2ccccc2C1)Cn1ccc(Nc2ccccc2)cc1=O |r|
O[C@H](CNC(=O)CC1CCCCC1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)CCc1nc2ccccc2s1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1cccc(c1)-c1ncc[nH]1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1cccc(c1)C(=O)NCCN1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1cccc(c1)C(=O)NCCc1c[nH]cn1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1ccccc1N1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)COc1ccccc1OCCN1CCOCC1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)Cc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)Nc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)Oc1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cc(Cl)nc(OC2COC2)c1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cc(NC2COC2)ncn1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1cc(OC2CCOCC2)ncc1Cl)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(C(=O)N2C3CCC2COC3)c(c1)C(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(CC(=O)N2CCCCC2)nc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(Cl)nc1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(OC2CCNCC2)nc1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(OCC2CC2)nc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)-c1nnc(o1)N1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1CC(O)C2)[C@@H]1Cc2ccccc2CN1 |r,TLB:12:14:19.20.22:16.17|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1CC2)[C@@H]1Cc2ccccc2CN1 |r,TLB:12:14:16.17:20.19|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1C2CCC1COC2)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1C2CCCC1COC2)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CC2CC1CO2)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CC2COCC2C1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)C(F)(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCC(O)C1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCC(O)CC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCCC(O)C1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCCCO1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCOCC1)[C@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1CCS(=O)(=O)CC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)N1Cc2cccnc2C1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)NC1CCC(F)(F)CC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)NC1CCS(=O)(=O)CC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)NCC1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1)C(=O)NCc1ccccn1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1C(F)F)C(=O)N1C2CCC1COC2)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc(cc1Cl)C(=O)N1C2CCC1COC2)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1F)C(=O)N1C2CCC1COC2)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cc1F)C(=O)N1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(cn1)C(=O)N1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc(nc1)N1CCOCC1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccc2[nH]ncc2c1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc2[nH]nnc2c1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc2nc([nH]c2c1)C(F)(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccc2ncccc2c1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cccc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cccc(OC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cccc(c1)-c1ccccn1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1cccc(c1)-c1ccnnc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cccc(c1)-c1cncnc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cccc(c1)C(=O)N1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cccc(c1)C(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cccc2n(cnc12)C1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccccc1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1ccccc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccccc1C(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccccc1Cl)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccccc1F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccccc1OC(F)(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cccnc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
O[C@H](CNC(=O)c1ccnc(OC2CCN(CC(F)(F)F)CC2)c1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccnc(OC2CCNCC2)c1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccnc(OC2CCOC2)c1)[C@@H]1Cc2ccccc2CN1
O[C@H](CNC(=O)c1ccnc(OC2CCOCC2)c1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccnc(c1)C(F)(F)F)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccnc(c1)C1CCOCC1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1ccncc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1cnn(c1)-c1cccnc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1coc(n1)-c1ccccc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC(=O)c1csc(n1)-c1ccccc1)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H](CNC1Cc2ccccc2C1)CN1CCN(Cc2ccc(cn2)C2CCOCC2)C1=O |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(CC(=O)N2CCCC2)cc1 |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(nc1)C(=O)N1CCCCC1 |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1ccc(nc1)N1CCOCC1 |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1cnc(s1)-c1ccc(cc1)C(F)(F)F |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1cnn(c1)-c1ccc(F)cc1 |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1cnn(c1)-c1cccc(Cl)c1 |r|
O[C@H](CNC1Cc2ccccc2C1)CNC(=O)c1cnn(c1)-c1ccccc1 |r|
O[C@H](Cn1ccc2cc(ccc2c1=O)C(=O)N1C2CCC1COC2)[C@@H]1Cc2ccccc2CN1 |r|
O[C@H]([C@H]1C[C@@H](Nc2ncnc3[nH]ccc23)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 |r|
[Br-].CC1(C)\C(=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:7|
[H][C@@]1(C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(C)ncnc12)[C@H](O)c1cccc2CCNCc12 |r|
[H][C@@]1(C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)[C@H](O)c1ccc(Cl)cc1 |r,c:20,t:13|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(OC)N3C=Nc12)[C@H](O)c1ccc(Cl)cc1 |r,c:21,t:13|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@](C)(O)c1ccc(Cl)cc1 |r|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCC(C)=O)ncnc12)[C@H](O)c1ccc(F)c(F)c1 |r|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCC(OC)OC)ncnc12)[C@H](O)c1ccc(Cl)cc1 |r|
[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCC=O)ncnc12)[C@H](O)c1ccc(Cl)cc1 |r|
[H][C@@]12CC[N@@](C[C@@H]1CN1CCC(Cc3ccccc3)CC1)[C@@H](CNC(=O)c1ccc3OCOc3c1)C2 |r|
[H][C@]1(Cc2ccccc2CN1)[C@H](O)CNC(=O)c1ccnc(OC2CCN(CC2)C(C)=O)c1Cl |r|
[H][C@]1(O[C@@H]([C@@H](O)[C@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccc(Cl)c(F)c1 |r|
[H][C@]1(O[C@@H]([C@@H](O)[C@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1cc(F)c2cc(F)c(N)nc2c1)n1cc(F)c2c(N)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1cc(C)c2c(N)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1cc(F)c2c(N)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12C[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(N)nc(C)nc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Cc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(NC)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2cncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(F)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(F)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1cc(F)c2cc(F)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1cc2nc(N)c(F)cc2cc1F)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)nc(C)nc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(NC)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(ncnc12)C1CC1 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(C)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1cc(F)c2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2ccc(N)nc2c1)n1ccc2c(C)ncnc12 |r|
[H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
[I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
[I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12 |c:12|
[I-].CCCCN1\C(Sc2ccc(Br)cc12)=C\C=C\c1sc2ccc(Br)cc2[n+]1CCCC