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260 SMILES Strings for Kappa-type opioid receptor (KOR)

Compound NameSMILES String
BDBM50058152 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1(Cc4ccccc4C1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
BDBM83436 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM21864 [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
BDBM50450528 Cc1ccc(O)c(c1)C(=O)NC[C@]1(C)C[C@H](O)CC(C)(C)C1 |r|
BDBM60212 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM82551 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
BDBM85537 COC12C=C[C@]3(C4[C@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
BDBM85538 COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:31.14.15:24.26.25|
BDBM85539 COC12C=C[C@]3(C4[C@@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
BDBM85540 COC12C=C[C@]3(C4[C@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
BDBM85541 COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
BDBM50000296 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50000092 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
BDBM50006996 CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50006997 CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50006998 CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50006999 CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007000 CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007001 CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50007002 CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50007004 CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50007344 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50007164 FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
BDBM50010532 CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
BDBM50010534 CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
BDBM50010535 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010536 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010537 CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010538 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50010542 CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
BDBM50010545 CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
BDBM50006994 Cl.CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50017233 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
BDBM50017234 CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017235 CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017236 CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
BDBM50017237 CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
BDBM50017238 CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017239 CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017240 CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017241 CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017242 CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
BDBM50452655 [H][C@]12CN(CCC)CC[C@@]1(CC)c1cc(OC)ccc1O2
BDBM50017231 CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017232 CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
BDBM50037577 O=C(Cc1ccc2C(=O)CCCc2c1)N1CCCC[C@H]1CN1CCCC1
BDBM50037578 CC(C)N(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037579 CCCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037580 CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1)C1CC1
BDBM50037581 CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037582 O=C(Cc1ccc2CCCC(=O)c2c1)N1CCCC[C@H]1CN1CCCC1
BDBM50037583 CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1)C1CCCC1
BDBM50037584 CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1)C1CCC1
BDBM50037585 CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1)C(C)(C)C
BDBM50037586 O=C(Cc1ccc2c(CCCCC2=O)c1)N1CCCC[C@H]1CN1CCCC1
BDBM50037588 CCN(CC)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037589 CN(CC=C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037590 O=C(Cc1ccc2C(=O)CCc2c1)N1CCCC[C@H]1CN1CCCC1
BDBM50037591 CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037592 CN(CC#C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037593 CN(CC1CC1)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50037594 O=C(Cc1cc2c(CCCC2=O)s1)N1CCCC[C@H]1CN1CCCC1
BDBM50037595 O=C(Cc1ccc2CCCCc2c1)N1CCCC[C@H]1CN1CCCC1
BDBM50035474 CN(C(CN1CCCC1)c1ccc(N)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50035476 CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50039029 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
BDBM50041240 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50050751 [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:32.32,c:35,38|
BDBM50050752 [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:24.24,c:27,30|
BDBM50050753 [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:20.20,c:23,26|
BDBM50050755 CN(C(CN1CCCC1)c1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |(-1.69,-15.08,;-1.72,-13.54,;-.39,-12.75,;.98,-13.51,;1.38,-15.03,;2.93,-15.2,;3.25,-16.71,;1.9,-17.5,;.75,-16.45,;-.43,-11.21,;.88,-10.43,;.85,-8.89,;-.49,-8.13,;-.55,-6.56,;1.03,-6.56,;1.06,-8.09,;2.36,-5.76,;3.7,-6.5,;3.73,-8.04,;5.08,-8.78,;6.4,-7.97,;6.35,-6.43,;5.01,-5.7,;6.33,-4.88,;7.68,-4.09,;4.99,-4.13,;7.74,-8.71,;7.77,-10.25,;6.46,-11.04,;6.5,-12.58,;7.86,-13.31,;7.89,-14.85,;9.17,-12.52,;9.12,-10.98,;10.43,-10.19,;10.39,-8.65,;12.1,-7.77,;12.19,-5.87,;13.9,-4.99,;10.59,-4.83,;8.89,-5.71,;8.79,-7.6,;-1.82,-8.95,;-1.79,-10.48,;-3.07,-12.81,;-3.1,-11.27,;-4.39,-13.6,;-5.73,-12.87,;-5.76,-11.31,;-7.13,-10.59,;-8.44,-11.38,;-9.78,-10.64,;-8.41,-12.92,;-9.73,-13.72,;-7.06,-13.67,)|
BDBM50059990 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50059992 CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50059994 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
BDBM50059995 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50059996 CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50059997 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
BDBM50058657 CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
BDBM50058658 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:26:25:18.4.5:7.13.12,THB:8:7:25:18.4.5,17:18:25:7.13.12|
BDBM50058659 Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16|
BDBM50058660 Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1Cc1ccccc1)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16|
BDBM50058149 COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2C)c45 |TLB:21:31:12:29.27.28,13:12:31.16.15:29.27.28,30:29:12:31.16.15|
BDBM50058150 Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)C1(Cc2cc4ccccc4cc2C1)C[C@@]35O |TLB:36:35:18.4.5:7.13.12,THB:8:7:35:18.4.5,17:18:35:7.13.12|
BDBM50058153 CN1CCC23C4Oc5c2c(CC1[C@]3(O)CC1(Cc2cc3ccccc3cc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50058154 COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
BDBM50061061 CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
BDBM50061062 CCN1CC[C@@]2(Cc3[nH]c4ccccc4c3C[C@H]2C1)c1cccc(O)c1
BDBM50061063 CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
BDBM50061064 CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC4CC4)C[C@@H]3Cc2c1C)c1cccc(O)c1
BDBM50095710 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095711 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095712 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095715 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095703 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095705 CC#CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
BDBM50095707 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095709 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095692 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095696 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095697 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095700 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095702 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095706 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095693 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50095694 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095708 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50120878 [#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM50120879 C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
BDBM50120880 C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
BDBM50120874 CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
BDBM50120875 [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM50120876 [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
BDBM50120877 CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
BDBM50218796 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
BDBM50248793 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
BDBM50274015 CCCCCC(=O)N(C)C1CC[C@@]2(O)[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.33.15:26.28.27,THB:13:12:16.33.15:26.28.27|
BDBM50274016 CCC\C=C\C(=O)N(C)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.32.15:25.27.26,THB:13:12:16.32.15:25.27.26|
BDBM50274017 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\C1CCCCC1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274347 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274348 CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274349 CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274048 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)CCc1ccccc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274175 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274176 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274177 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(c1)C(F)(F)F |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274178 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccc(cc1)C(F)(F)F |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274179 COc1cccc(\C=C\C(=O)N(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:15:16:20.36.19:29.31.30,THB:17:16:20.36.19:29.31.30|
BDBM50274212 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(C)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274213 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(F)c1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274214 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274255 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1cccs1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274256 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccsc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274257 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50292919 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
BDBM50290866 CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
BDBM50290867 CCN1CC[C@@]2(Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1)c1cccc(O)c1
BDBM50290868 CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
BDBM50290869 CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
BDBM50290870 CCN(CC)C(=O)c1[nH]c2C[C@H]3CN(C)CC[C@@]3(Cc2c1C)c1cccc(O)c1
BDBM50290871 CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
BDBM50290872 CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
BDBM50274519 CN([C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:8.24.7:17.19.18|
BDBM50274520 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccoc1 |r,TLB:21:22:4.18.5:13.7.12,THB:23:22:4.18.5:13.7.12|
BDBM50274721 CCCCCCO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:9:10:14.30.13:23.25.24,THB:11:10:14.30.13:23.25.24|
BDBM50274482 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.24.8:17.19.18,THB:6:5:9.24.8:17.19.18|
BDBM50274401 CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50274402 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.22.8:18.20.19,THB:6:5:9.22.8:18.20.19|
BDBM50274774 CCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:15.31.14:24.26.25,THB:12:11:15.31.14:24.26.25|
BDBM50274775 CCCCCCN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,TLB:9:10:14.30.13:23.25.24,THB:11:10:14.30.13:23.25.24|
BDBM50287929 Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
BDBM50297170 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
BDBM50342817 COc1ccc2N(Cc3ccccc3OCc2c1)c1ccccc1
BDBM50346951 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
BDBM50346952 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
BDBM50346953 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4NC(=O)c1cccc(I)c1)ccc5O |r|
BDBM50369225 CN([C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,wU:2.1,(9.12,-13.32,;8.28,-12.01,;9.03,-10.64,;10.57,-10.59,;11.38,-11.87,;10.96,-13.34,;12.2,-14.2,;13.44,-13.29,;12.92,-11.83,;8.19,-9.33,;6.65,-9.4,;5.83,-8.11,;6.54,-6.75,;8.07,-6.68,;8.77,-5.29,;10.31,-5.21,;11.15,-6.51,;11.01,-3.83,;12.55,-3.76,;13.39,-5.04,;14.93,-4.95,;15.63,-3.57,;14.8,-2.32,;13.26,-2.39,;15.51,-.91,;17.06,-.82,;14.67,.37,;16.79,-4.62,;16.79,-6.16,;15.44,-6.93,;15.44,-8.47,;16.79,-9.24,;16.79,-10.78,;18.1,-8.47,;18.1,-6.93,;19.45,-6.16,;19.45,-4.62,;20.78,-3.85,;20.78,-2.32,;22.15,-1.52,;19.45,-1.55,;18.1,-2.32,;18.1,-3.85,;8.91,-7.96,;6.75,-12.06,;5.95,-10.78,;6.05,-13.44,;4.51,-13.5,;3.67,-12.2,;2.13,-12.26,;1.41,-13.6,;-.13,-13.64,;2.24,-14.92,;1.52,-16.3,;3.78,-14.86,)|
BDBM50369222 [#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:25.25,c:28,31|
BDBM50369223 [#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:21.21,c:24,27|
BDBM50369224 [#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:33.33,c:36,39|
BDBM50395097 COc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
BDBM50395098 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1C2CC3CC(C2)CC1C3 |r,wU:21.26,6.6,18.27,wD:13.19,14.14,TLB:35:34:28.29.30:32,THB:35:29:32:26.34.33,24:26:28.29.30:32,30:29:26:31.32.33,30:31:26:28.29.35,(8.77,-11.54,;9.57,-10.18,;8.79,-8.87,;9.57,-7.54,;11.11,-7.54,;11.85,-6.2,;13.35,-6.2,;13.39,-4.66,;14.17,-3.31,;15.71,-3.29,;16.46,-1.95,;12.6,-5.64,;12.6,-7.54,;13.39,-8.87,;14.14,-10.18,;12.56,-11.1,;11.11,-10.18,;11.85,-8.87,;15.68,-10.19,;16.47,-8.87,;15.71,-7.54,;14.17,-7.54,;14.93,-6.18,;16.43,-11.54,;17.97,-11.56,;18.76,-10.24,;18.72,-12.92,;20.15,-12.88,;18.77,-13.73,;18.3,-15.24,;19.46,-16.21,;20.81,-15.31,;21.3,-13.86,;19.38,-15.21,;18.27,-14.34,;16.73,-15.18,)|
BDBM50395099 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1CCCCC1 |r|
BDBM50395100 CCCCCCCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395101 CCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395102 CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395103 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50395104 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
BDBM50395105 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
BDBM50395106 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)[N+]([O-])=O |r|
BDBM50395107 Oc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395108 CN(C)c1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395109 Nc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395110 COc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395111 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)C(F)(F)F |r|
BDBM50395112 Cc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
BDBM50395113 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
BDBM50395114 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(Br)c1 |r|
BDBM50395115 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(Cl)c1 |r|
BDBM50395116 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(F)c1 |r|
BDBM50395117 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
BDBM50395118 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1I |r|
BDBM50395119 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
BDBM50402137 Oc1ccc2CC34CC5C(=O)CC3N(CC3CC3)CCC4(CC5=O)c2c1
BDBM50402138 Oc1ccc2CC34CC5CCC3N(CC3CC3)CCC4(CC5=O)c2c1
BDBM50402139 Oc1ccc2CC34CC5C=CC3N(CC3CC3)CCC4(CC5=O)c2c1 |c:9|
BDBM50402140 O[C@@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
BDBM50402141 O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
BDBM50066276 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066277 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066278 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066279 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1OC)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066282 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066285 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(Cl)n1)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066344 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(n1)C#N)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066346 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(C)n1)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066348 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(ccc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
BDBM50066354 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
BDBM50066355 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(OC)c(OC)cc2cn1)ccc3O |r,TLB:10:9:17:4.5.6|
BDBM50066358 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066359 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)C1Cc2ccc(cc2CN1C)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
BDBM50066284 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50066351 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
BDBM50066280 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
BDBM50114369 CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCCC(C1)N2CC=C)c1cccc(OC)c1 |TLB:24:23:18.19.20:22.15.16.14|
BDBM50114370 CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1 |THB:13:14:22:18.19|
BDBM50114371 CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1 |TLB:22:21:14:16.17.18|
BDBM50114372 CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1
BDBM50114373 CCN(CC)C(=O)c1ccc(cc1)C(N1C2CC1CN(CC=C)C2)c1cccc(OC)c1 |THB:13:14:23.19.18:16|
BDBM235808 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1 |r|
BDBM235809 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235810 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235811 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CCNC2=O)CC1 |r|
BDBM235812 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CCN(C)C2=O)CC1 |r|
BDBM235813 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O |r|
BDBM235814 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)C(=O)N1CCOCC1 |r|
BDBM235815 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c(C)nnc1C |r|
BDBM235816 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r|
BDBM235817 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1 |r|
BDBM235818 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cnc(C)cn1 |r|
BDBM235788 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235783 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r|
BDBM235789 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O |r|
BDBM235790 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 |r|
BDBM235791 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |r|
BDBM235792 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
BDBM235784 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r|
BDBM235786 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r|
BDBM235787 CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235794 CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r|
BDBM235795 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCNCC1 |r|
BDBM235796 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r|
BDBM235797 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCC(N)(CC1)C(O)=O |r|
BDBM235798 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r|
BDBM235800 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r|
BDBM235799 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r|
BDBM235801 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r|
BDBM235802 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235805 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235803 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235804 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235806 CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r|
BDBM235807 CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1 |r|
BDBM50118177 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118178 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118179 CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)CCc1ccccc1 |r,c:42|
BDBM50118180 Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)\C=C\c1ccoc1 |r,c:26|
BDBM50118181 Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)c1ccccc1 |r,c:26|
BDBM50118182 CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)Cc1ccccc1 |r,c:42|
BDBM50118184 Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)\C=C\c1ccoc1 |r,c:26|
BDBM50118186 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)c1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118187 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118188 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118189 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118190 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)c1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118191 Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)Cc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
BDBM50118176 Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)c1ccccc1 |r,c:26|
BDBM50118175 CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)Cc1ccccc1 |r,c:42|
BDBM50118183 Cl.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@H]2N(C)C(=O)CCc1ccccc1 |r,c:26|
BDBM235785 CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O |r|
BDBM235793 CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(N)(CC1)C(O)=O |r|