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981 SMILES Strings for Caspase-1

Compound NameSMILES String
BDBM219 CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r|
BDBM220 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O |r|
BDBM221 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r|
BDBM222 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r|
BDBM223 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r|
BDBM224 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM225 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
BDBM226 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM227 Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl |r|
BDBM50450287 NC(=O)c1cc(ccc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C)-c1ccccc1
BDBM10331 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10332 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10333 CC(=O)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10334 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10335 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cn1 |r|
BDBM10336 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)ccn1 |r|
BDBM10337 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)n1 |r|
BDBM10338 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10339 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10340 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10341 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM10342 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM10343 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM10344 Fc1ccccc1CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10345 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cn1 |r|
BDBM10346 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)ccn1 |r|
BDBM10347 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)n1 |r|
BDBM10348 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
BDBM10349 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
BDBM10350 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
BDBM10351 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM10352 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM10353 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM10354 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccncc1 |r|
BDBM10355 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10298 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
BDBM10297 CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
BDBM10305 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10309 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
BDBM10315 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r|
BDBM10316 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1 |r|
BDBM10318 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10320 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10323 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10330 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10246 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10660 CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10661 CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10662 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC(C)C)c1 |r|
BDBM10663 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2c(F)cccc2Cl)c1 |r|
BDBM10664 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC2CCCCC2)c1 |r|
BDBM10665 COc1ccccc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10666 COc1cccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r|
BDBM10669 CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10670 CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10671 CCOc1ccc(OCC(O)=O)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10674 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O |r|
BDBM10675 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r|
BDBM10652 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r|
BDBM10653 CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10543 CC(C)[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10544 CCC(O)(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10545 CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10546 CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10547 CC(C)[C@H](NC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10548 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r|
BDBM10549 COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10551 COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10552 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
BDBM10553 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
BDBM10554 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r|
BDBM10555 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r|
BDBM10556 COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10527 COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10528 COc1ccc(Br)cc1[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10529 CCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1cc(Br)ccc1OC |r|
BDBM10530 COc1ccc(Br)cc1[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10531 COc1ccc(Br)cc1[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10532 COc1ccc(Br)cc1C1(CC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10533 COc1ccc(Br)cc1[C@H](CC=C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10534 COc1ccc(Br)cc1[C@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10535 COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10536 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10537 CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10538 CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10539 CC(C)[C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10540 CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10541 CO[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1ccccc1 |r|
BDBM10542 CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM12043 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 |r|
BDBM12044 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CSCCCc1ccccc1 |r|
BDBM12045 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CCCCCc1ccccc1 |r|
BDBM12046 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CSCCCc1ccccc1 |r|
BDBM12049 Cc1cccc(c1-c1ccccc1)S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM12050 Cc1ccccc1-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM12051 Cc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM12052 Cc1ccc(cc1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM12053 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)C=O |r|
BDBM12054 CC(=O)Nc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM12055 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C=O |r|
BDBM12056 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccccc1)C=O |r|
BDBM12057 Cc1ccccc1Oc1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM12058 Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r|
BDBM12059 Cc1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
BDBM12060 Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1C |r|
BDBM12061 Cc1cc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc(C)c1C |r|
BDBM12062 CC(C)c1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r|
BDBM12063 CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
BDBM12064 CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r|
BDBM12065 CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
BDBM12066 CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r|
BDBM12067 CCC(CC)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
BDBM12068 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCC1)C=O |r|
BDBM12069 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCCC1)C=O |r|
BDBM12070 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccccc1)C=O |r|
BDBM12071 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccc(cc1)C(O)=O)C=O |r|
BDBM12047 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C=O |r|
BDBM12197 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r|
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM22774 O=C1C=CC(=O)C=C1 |c:2,6|
BDBM29570 Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
BDBM29571 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1
BDBM29572 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM29573 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
BDBM29574 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1Cl
BDBM29575 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
BDBM29576 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1
BDBM29577 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1Cl
BDBM29578 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1
BDBM29579 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1
BDBM29580 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1Cl
BDBM29581 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1
BDBM29582 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-1
BDBM29583 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1
BDBM29584 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1Cl
BDBM29585 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1
BDBM29586 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1
BDBM29587 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1Cl
BDBM29588 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1 |r|
BDBM29569 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
BDBM50289405 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM31752 CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
BDBM50072040 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072053 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
BDBM50451094 [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCC |c:6|
BDBM34233 O=c1n([se]c2ccccc12)-c1ccccc1
BDBM33653 COCC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccc(Cl)cc1
BDBM33624 Cc1ccc2n3CCCNC4CCCc(c34)c2c1
BDBM42770 COC(=O)c1sccc1NC(=O)c1csc(C)c1
BDBM42501 COc1cc(C=Nn2cnnc2)ccc1OCc1ccc(C)cc1 |w:6.6|
BDBM47714 CCN1\C(Sc2ccccc12)=C\C=C\C=C\c1sc2ccccc2[n+]1CC
BDBM52505 c1nc2cc3nc4ccccc4nc3cc2[nH]1
BDBM54734 COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O
BDBM54332 Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
BDBM61638 CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
BDBM61402 C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
BDBM66426 Cc1cc(N2C(=O)C=CC2=O)c(cc1C)[N+]([O-])=O |c:7|
BDBM64746 Cc1cc2ccccn2c1C(C[N+]([O-])=O)c1c(F)cccc1Cl
BDBM67953 Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
BDBM68054 Cn1cnc(c1S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
BDBM66466 Cc1ccc(cc1)C(=O)\C=C/C(=O)c1ccc(C)cc1
BDBM71174 Cn1c2ccccc2c(c([N+]([O-])=O)c1=O)-n1cnc2ccccc12 |(7.08,4.83,;7.08,3.29,;8.41,2.52,;9.79,3.35,;11.19,2.56,;11.19,.95,;9.79,.16,;8.41,.98,;7.08,.21,;5.75,.98,;4.41,.21,;3.08,.98,;4.41,-1.33,;5.75,2.52,;4.41,3.29,;7.08,-1.33,;5.84,-2.22,;6.31,-3.68,;7.84,-3.69,;8.87,-4.83,;10.38,-4.52,;10.86,-3.05,;9.83,-1.91,;8.32,-2.22,)|
BDBM76329 CC(=C)C(=O)Nc1nnc(s1)-c1cccs1
BDBM76330 CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1
BDBM76331 OC(CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
BDBM76308 Cc1sc(nc1OC(=O)c1ccccc1)-c1ccncc1
BDBM76309 COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1
BDBM76310 CCCOc1ccc(cc1)C(=O)C(CN1CCCC1)c1ccccc1
BDBM76311 CCOC(=O)C1CCCN(Cc2ccc(OCC)cc2)C1
BDBM76312 CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
BDBM76313 CC(C)NC(=O)CCCOc1ccc(Cl)cc1Cl
BDBM76314 CC(C)Oc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1
BDBM76315 CCCOc1ccccc1NC(=O)\C=C\C(N)=O
BDBM76316 Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(cc1)-n1cccc1
BDBM76317 CSc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
BDBM76318 Cc1ccc(cc1)-n1c(O)cc(Sc2ccccc2C(O)=O)c1O
BDBM76319 O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cccnc1
BDBM76320 Cc1ccc(cc1)-n1nnnc1C(Cl)c1nnnn1-c1ccc(C)cc1
BDBM76321 CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(C)cc2s1
BDBM76322 CCOc1ccccc1N1CCN(CC1)C(=O)CCCc1nc2ccccc2s1
BDBM76323 COc1ccccc1-n1c(O)c2CCC(Cc2c1O)c1ccccc1 |(14.41,-3.93,;13.64,-2.59,;14.41,-1.26,;15.95,-1.26,;16.72,.08,;15.95,1.41,;14.41,1.41,;13.64,.08,;12.1,.08,;11.21,-1.16,;11.68,-2.63,;9.75,-.69,;8.41,-1.46,;7.08,-.69,;7.08,.85,;8.41,1.62,;9.75,.85,;11.21,1.31,;11.68,2.78,;5.75,1.62,;5.75,3.16,;4.41,3.93,;3.08,3.16,;3.08,1.62,;4.41,.85,)|
BDBM76324 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
BDBM76325 COc1ccc(cc1OC)C1=C\C(=C\c2cccnc2)C(=O)O1 |t:11|
BDBM76328 COc1ccc(C)cc1NC(=O)c1ccc(CN2CCN(CC2)c2ccccc2)cc1
BDBM76326 CCc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1Cl
BDBM76327 Cc1cc(Cl)c(OCCCCN2CCOCC2)c(Br)c1
BDBM81348 CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
BDBM85511 OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
BDBM50072047 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50011931 Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
BDBM50022271 CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
BDBM50058655 CCN(CC)C(=S)SSC(=S)N(CC)CC
BDBM50058526 OC(=O)COc1ccc(cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50058527 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50058528 OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1)C=O
BDBM50058529 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50058530 OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O
BDBM50058531 OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)OCc1ccccc1)C=O
BDBM50070496 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CC=O)CC(O)=O
BDBM50070499 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H](CC=O)CC(O)=O
BDBM50068969 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068970 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068971 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCC(CC1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068972 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068973 CCCCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068944 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCOCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068945 CCCCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068946 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)Cc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068947 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCCC(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068948 CCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068949 CCCCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068950 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068951 CCCCCCN(CCCCCC)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068952 CCOC(=O)C1CCN(CC(=O)C(CC(O)=O)NC(=O)C(CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1
BDBM50068953 CCCCN(CC)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068954 CCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068955 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068956 CCC(C(=O)NC(CC(O)=O)C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068957 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068958 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068959 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068960 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068961 CCC(C(=O)NC(CC(O)=O)C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068962 CCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068963 CCC(C(=O)NC(CC(O)=O)C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068964 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCNCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068965 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068966 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068967 CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50068968 CCC(C(=O)NC(CC(O)=O)C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50072041 C[C@H](N1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072042 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072043 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
BDBM50072044 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
BDBM50072045 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O
BDBM50072046 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072048 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
BDBM50072049 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
BDBM50072050 C[C@H](N1CC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072051 OC1OC(=O)C[C@@H]1NC(=O)CN1CC[C@H](NC(=O)OCc2ccccc2)C1=O
BDBM50072052 OC1OC(=O)C[C@@H]1NC(=O)CN1CCC[C@H](NC(=O)OCc2ccccc2)C1=O
BDBM50072054 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
BDBM50071541 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccccc1
BDBM50071542 CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
BDBM50071543 CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl
BDBM50071544 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl
BDBM50071545 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
BDBM50084633 OC(=O)C[C@H](NC(=O)C(c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
BDBM50084635 OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)C(CCC2=O)NC(=O)c1ccccc1)C=O
BDBM50084658 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(Cc2ccccc2)n(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O
BDBM50091566 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C=O
BDBM50091567 CC[C@@H](C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50091568 CCCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cncc(NC(=O)c2cccc3ccccc23)c1=O
BDBM50091569 OC(=O)C[C@H](NC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)c1ccccc1F)C=O
BDBM50091570 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1ccc2ccc(=O)oc2c1
BDBM50091571 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc[nH]1
BDBM50091572 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1
BDBM50091573 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CC(=O)NS(C)(=O)=O)C=O
BDBM50091574 CC(C)[C@H](NC\C=C\c1ccccc1)C(=O)N1CC(O)C[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1
BDBM50091575 CC(C)[C@H](CC(=O)NCCc1cn(C)c2ccccc12)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C |TLB:42:41:43:37.38|
BDBM50091576 CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)NC(CC(O)=O)C(=O)c1nc2ccccc2o1)C1Cc2ccccc2C1
BDBM50091577 OC(=O)C[C@H](NC(=O)C(c1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1
BDBM50091578 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncco1
BDBM50091579 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1CC(O)C[C@H]1C(=O)NC(CC(O)=O)C=O
BDBM50091580 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1cc2ccccc2cc1C(N)=O
BDBM50091581 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(O)O |TLB:51:50:52:46.47|
BDBM50091582 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc(c[nH]1)-c1ccccc1
BDBM50091583 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1nccs1
BDBM50091584 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl
BDBM50091585 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1
BDBM50091586 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CCC(O)=O)C=O
BDBM50091587 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1
BDBM50091588 OC(=O)C[C@H](NC(=O)C1CCC2CCC(NC(=O)OCc3ccccc3)C(=O)N12)C=O
BDBM50091589 OC(=O)C[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)c4cccc5ccccc45)C(=O)N1c23)C=O
BDBM50091561 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)C(=O)NCCc1ccccc1
BDBM50091562 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCC(O)=O
BDBM50091563 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1cocn1
BDBM50091564 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1OCCc1cccc2ccccc12)C=O
BDBM50091565 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1Cl
BDBM50111802 OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2N(C[C@H](NC(=O)c2ccccc2)C1=O)C(=O)CCc1ccccc1
BDBM160769 CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160770 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160792 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160794 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160804 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r,w:7.7|
BDBM160808 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160819 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160824 CS(=O)(=O)\C=C\[C@@H](N)CC(O)=O |r|
BDBM160832 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C)\C=C\S(C)(=O)=O |r|
BDBM160841 CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160849 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
BDBM160781 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
BDBM160784 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O |r|
BDBM160783 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
BDBM160786 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160798 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 |r|
BDBM160796 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160799 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)\C=C\S(=O)(=O)N1CCOCC1 |r|
BDBM160813 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160750 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(O)=O |r|
BDBM160788 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160790 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160802 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160801 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C |r|
BDBM160803 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r,w:7.7|
BDBM160816 CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160827 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160766 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(C)(=O)=O |r|
BDBM50119203 CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119204 CC(C)C[C@H](NC(=O)CCSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119205 CC(C)C[C@H](NC(=O)C(C)Oc1cccc2cc(Br)ccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119206 CC(C)C[C@H](NC(=O)COc1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119207 CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119208 CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119209 CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119210 CC(C)C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119211 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O
BDBM50119212 CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119213 CC(C)C[C@H](NC(=O)COc1ccc2CCCCc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119214 COc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(=O)OC2O)c2ccccc12
BDBM50119215 CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119216 CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119217 CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119218 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119219 CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119220 CC(C)C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119221 CC(C)C[C@H](NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:23:22:25:17.18.19,THB:21:22:17:25.20.19|
BDBM50119222 CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20|
BDBM50119223 CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119224 CC(C)C[C@H](NC(=O)COc1ccc(cc1)C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119225 CC(C)C[C@H](NC(=O)COc1nccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119226 CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119227 CC(C)C[C@H](NC(=O)COc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119228 CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119229 CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119230 CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119231 CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119232 CC(C)C[C@H](NC(=O)C(C)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119233 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119234 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119235 CC(C)C[C@H](NC(=O)COc1cccc(c1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119236 CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119237 CC(C)C[C@H](NC(=O)CCOc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119238 CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119239 CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119240 CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119241 CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O
BDBM50119242 CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119243 CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119244 CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119245 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119246 CC(C)C[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119247 CC(C)C[C@H](NC(=O)COc1cccc2CCCCc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119248 CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119249 CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119250 CC(C)C[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119251 CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119252 CC(C)C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119253 CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119254 CC(C)C(NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119255 CC(C)CC(NC(=O)CNCC(Cc1ccccc1)c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119256 CC(C)C(NC(=O)COc1ccc2ccccc2c1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119257 CC(C)C(NC(=O)COc1cc2ccccc2cc1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119258 CC(C)C(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119259 CC(C)CC(NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119260 CC(C)C(NC(=O)COc1cccc2c(NS(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119261 CC(C)CC(NC(=O)C(C)Nc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119262 CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119263 CC(C)C(NC(=O)COc1cc2ccccc2cc1NS(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119264 CC(C)CC(NC(=O)[C@@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119265 CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119266 CC(C)C(NC(=O)COc1c(ccc2ccccc12)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119267 CC(C)CC(NC(=O)[C@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50124010 CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
BDBM50133876 CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cccc2ccccc12
BDBM50133879 CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc(cc1)-c1ccccc1
BDBM50133889 CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc2ccccc2c1
BDBM50139703 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CC1CCc2ccccc12
BDBM50139690 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1
BDBM50139691 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1
BDBM50139692 CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1
BDBM50139693 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCCc1ccccc1
BDBM50139694 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc2ccccc12
BDBM50139695 C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1
BDBM50139696 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1
BDBM50139697 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCC1CCCCC1
BDBM50139698 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1ccccc1
BDBM50139699 C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1
BDBM50139700 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)Cc1ccccc1
BDBM50139701 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12
BDBM50139702 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1
BDBM50140543 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140548 COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
BDBM50145622 CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50145661 CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50145670 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50160981 CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160982 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O
BDBM50160983 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O
BDBM50160984 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O
BDBM50160985 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O |THB:15:16:18.19:21.22|
BDBM50160986 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O
BDBM50160987 CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160943 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160944 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160945 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O
BDBM50160946 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160947 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160948 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
BDBM50160949 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O
BDBM50160950 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160951 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160952 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160953 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O
BDBM50160954 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160955 CCC(C(=O)N[C@@H](CC(O)=O)C(C)=O)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160956 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160957 CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160958 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
BDBM50160959 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)C
BDBM50160960 CC[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1cccc(NC(=O)[C@H](CC(O)=O)NC(C)=O)c1=O
BDBM50160961 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)S(C)(=O)=O
BDBM50160962 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O
BDBM50160963 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O
BDBM50160964 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160965 CCC(C(=O)N[C@@H](CC(O)=O)C=O)n1ccnc(NCc2nonc2C)c1=O
BDBM50160966 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O
BDBM50160967 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O
BDBM50160968 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O
BDBM50160969 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(CC)CC
BDBM50160970 CCCCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160971 CCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160972 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O
BDBM50160973 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
BDBM50160974 CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160975 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O
BDBM50160976 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160977 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160978 CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160979 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCOCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160980 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(o2)-c2ccccc2)c1=O
BDBM50160988 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
BDBM50160989 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160990 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O
BDBM50160991 CCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50171148 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n12
BDBM50171149 CC(C)(C)c1cc2nc3CC[C@@H](C(=O)N[C@H]4CC(=O)OC4O)n3c(O)c2n1
BDBM50171127 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1
BDBM50171130 COc1ccccc1C(=O)N1CCCN(CC(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C1)NC(=O)c1ccc2ccccc2c1
BDBM50171134 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2nccc3ccccc23)C1=O)C(=O)c1ccccc1
BDBM50171144 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1cccc(Cl)c1
BDBM50171145 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1ccccc1Cl
BDBM50171146 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1ccc(Cl)cc1
BDBM50171147 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1ccccc1
BDBM50176492 OC(=O)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(Nc2cnccn2)cc1)C=O
BDBM50176493 CC(C)[C@H](NC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50176494 Cc1cc(ccc1Nc1cnc2ccccc2n1)C(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1cccs1
BDBM50176495 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1ccccc1)C=O
BDBM50176496 Cc1ccc2nc(Nc3ccc(cc3)C(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c3cccs3)cnc2c1
BDBM50176497 OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1)C=O
BDBM50176498 OC(=O)C[C@H](NC(=O)Cc1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)s1)C=O
BDBM50176499 OC(=O)C[C@H](NC(=O)CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O
BDBM50176500 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1cccs1)C=O
BDBM50176501 OC(=O)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)C=O
BDBM50176502 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)c1cccs1)C=O
BDBM50176503 OC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)CC1)C=O |wU:8.7,wD:4.4,11.11,(19.27,-37.83,;19.31,-36.28,;20.68,-35.56,;18.01,-35.47,;18.06,-33.93,;16.75,-33.12,;15.39,-33.84,;15.34,-35.38,;14.06,-33.08,;12.72,-33.85,;11.39,-33.09,;11.39,-31.56,;10.05,-30.79,;8.71,-31.88,;7.37,-31.11,;7.36,-29.57,;6.04,-31.89,;6.04,-33.43,;4.71,-34.21,;3.38,-33.43,;2.05,-34.21,;.71,-33.44,;.71,-31.89,;-.63,-31.13,;-1.96,-31.91,;-3.29,-31.14,;-4.62,-31.91,;-4.62,-33.46,;-3.29,-34.23,;-1.96,-33.45,;-.62,-34.22,;3.37,-31.9,;4.69,-31.13,;12.72,-30.77,;14.05,-31.54,;19.42,-33.21,;20.72,-34.02,)|
BDBM50176504 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cncc(Cl)n2)cc1)c1cccs1)C=O
BDBM50176505 CCC(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50176506 Cc1cc(ccc1Nc1cnc2ccccc2n1)C(=O)NCCCCCC(=O)N[C@@H](CC(O)=O)C=O
BDBM50176507 OC(=O)C[C@H](NC(=O)c1cnc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn1)C=O
BDBM50176508 OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)s1)C=O
BDBM50176509 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1ccccc1F)C=O
BDBM50176510 OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1)C=O |r|
BDBM50176511 OC(=O)C[C@H](NC(=O)c1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cs1)C=O
BDBM50176512 OC(=O)C[C@H](NC(=O)c1csc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c1)C=O
BDBM50176513 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnccn2)cc1)c1cccs1)C=O
BDBM50176514 OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)o1)C=O
BDBM50176515 OC(=O)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O |r|
BDBM50176516 OC(=O)C[C@H](NC(=O)CCCCCC(=O)Nc1ccc(Nc2cnc3ccccc3n2)cc1)C=O
BDBM50176517 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50176518 OC(=O)C[C@H](NC(=O)CCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O
BDBM50176519 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50176520 OC(=O)C[C@H](NC(=O)CCCCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O
BDBM50175323 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
BDBM50175324 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 |c:17|
BDBM50175325 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ccccc1
BDBM50175326 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)S(=O)(=O)c1ccccc1
BDBM50175327 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12
BDBM50175328 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
BDBM50175329 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12
BDBM50175330 CN1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175334 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)N12 |c:17|
BDBM50175335 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12
BDBM50175336 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(c3)C(F)(F)F)C(=O)N12 |c:17|
BDBM50175337 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
BDBM50175338 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12
BDBM50175339 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175340 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12
BDBM50175341 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)Nc1ccccc1
BDBM50175342 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 |c:17|
BDBM50175343 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)N12 |c:17|
BDBM50175344 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12 |c:17|
BDBM50175345 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)S(=O)(=O)c1ccccc1
BDBM50175346 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175347 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175348 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)S(=O)(=O)c1ccccc1
BDBM50175349 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3C(F)(F)F)C(=O)N12 |c:17|
BDBM50175350 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N12 |c:17|
BDBM50175351 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12
BDBM50175331 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3Cl)C(=O)N12 |c:17|
BDBM50175332 CC(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175333 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 |c:17|
BDBM50189358 Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189360 CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12
BDBM50189361 Cc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189362 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189363 Cc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189364 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189365 OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189366 COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189367 Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189368 COc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189369 COc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189370 OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189371 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189372 COc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189373 OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189374 OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189375 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189376 OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189377 Cc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189378 Cc1ccc(cc1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50191899 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C1=O
BDBM50191901 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
BDBM50191902 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O
BDBM50191904 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccccc2)C1=O
BDBM50191905 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2nccc3ccccc23)C1=O
BDBM50191906 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O
BDBM50191907 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O
BDBM50191908 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2cc3ccccc3s2)C1=O
BDBM50191909 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cc3ccccc3s2)C1=O
BDBM50192784 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50199760 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(Cl)c2)C1=O |w:1.0,c:14|
BDBM50199761 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:14|
BDBM50199762 COc1cccc(c1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13|
BDBM50199763 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25|
BDBM50199764 CC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:30.33,t:1|
BDBM50199765 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:14|
BDBM50199766 C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4|
BDBM50199767 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc3ccccc3s2)C1=O |w:1.0,c:14|
BDBM50199768 OC(=O)C[C@H](NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C=O |c:14|
BDBM50199769 OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O
BDBM50199770 OC1OC(=O)C[C@@H]1NC(=O)CN1CC\C=C/C[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:15|
BDBM50199748 COc1cccc(c1)C(=O)N[C@H]1CC=CCN(CC(=O)N[C@H]2CC(=O)OC2O)C1=O |w:26.28,c:14|
BDBM50199749 COc1ccc(cc1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13|
BDBM50199750 COc1ccccc1C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13|
BDBM50199751 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |w:1.0,c:14|
BDBM50199752 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccccc2)C1=O |w:1.0,c:14|
BDBM50199753 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24|
BDBM50199754 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24|
BDBM50199755 OC(=O)C[C@H](NC(=O)[C@@H]1CC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C=O |c:13|
BDBM50199756 OCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:31.34,t:2|
BDBM50199757 C[C@@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4|
BDBM50199758 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1=O |w:1.0,c:14|
BDBM50199759 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26|
BDBM50200302 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r|
BDBM50200303 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OC)cc3)C(=O)C(=O)c2c1
BDBM50200304 CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200305 Ic1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM50200306 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(I)cc3)C(=O)C(=O)c2c1
BDBM50200307 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O)cc3)C(=O)C(=O)c2c1
BDBM50200308 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)C(=O)C(=O)c2c1
BDBM50200309 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCF)cc3)C(=O)C(=O)c2c1
BDBM50200310 Cc1ccc(cc1)S(=O)(=O)OCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200311 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCBr)cc3)C(=O)C(=O)c2c1
BDBM50200312 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCOS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)C(=O)c2c1
BDBM50200313 CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1
BDBM50200314 CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200315 BrCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200932 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50203361 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1|
BDBM50203362 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NC(CC(C)C)C(O)=O)c1=O)C(C)(C)C |w:2.1,28.28|
BDBM50203363 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2cc(OC)cc(OC)c2)c1=O)C(C)(C)C |w:2.1|
BDBM50203364 CCCCCC[NH+](C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:19.19,6.6|
BDBM50203365 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2ccc3OCCOc3c2)c1=O)C(C)(C)C |w:2.1|
BDBM50203366 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCCc2cccs2)c1=O)C(C)(C)C |w:2.1|
BDBM50210259 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
BDBM50216414 Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50216415 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1cccnc1
BDBM50216416 Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1
BDBM50216417 [#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1
BDBM50216418 Brc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1
BDBM50216419 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1
BDBM50216420 [#6]-[#7]-1-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2cc(ccc-12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1
BDBM50216421 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1
BDBM50216422 [#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1
BDBM50216423 O=[#6]1-[#7]-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1
BDBM50216424 Brc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1
BDBM50223100 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF |w:27.28|
BDBM50240374 OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
BDBM50233673 CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
BDBM50258378 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258379 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258380 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CO)C(=O)C(=O)c2c1 |r|
BDBM50258381 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC4CO4)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258667 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC=C)C(=O)C(=O)c2c1 |r|
BDBM50258668 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC=C)C(=O)C(=O)c2c1 |r|
BDBM50258669 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC=C)C(=O)C(=O)c2c1 |r|
BDBM50258694 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(C=C)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258695 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CBr)C(=O)C(=O)c2c1 |r|
BDBM50258696 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC=C)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258697 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H]3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258698 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC(O)CF)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258699 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CO)C(=O)C(=O)c2c1 |r|
BDBM50258700 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CO)C(=O)C(=O)c2c1 |r|
BDBM50258335 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CF)C(=O)C(=O)c2c1 |r|
BDBM50258336 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258337 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CF)C(=O)C(=O)c2c1 |r|
BDBM50261541 CC(C)C[C@H]1C[C@H]([C@@H](O)CC(=O)Cc2ccccc2)C(=O)N1 |r|
BDBM50261569 CC(C)CC1(O)NC(=O)C2(OC(Cc3ccccc3)=CC2=O)C1O |c:19|
BDBM50281177 CCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C
BDBM50281178 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ccccc1
BDBM50281179 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)C1CCCCC1
BDBM50281180 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(C)=O
BDBM50281181 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)Cc1ccccc1
BDBM50281182 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCc1ccccc1
BDBM50281183 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCc1ccccc1
BDBM50281184 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1
BDBM50281185 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)C(F)(F)CCCc1ccccc1
BDBM50281186 CC(C)[C@H](NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)C(F)(F)CCCc1ccccc1
BDBM50284718 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COCCCc1ccccc1
BDBM50284719 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)C=Cc1ccccc1 |w:19.19|
BDBM50284720 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CCCCc1ccccc1
BDBM50284721 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNCc1ccccc1
BDBM50284722 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)CCOc1ccccc1
BDBM50284723 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CN(CCc1ccccc1)Cc1ccccc1
BDBM50284724 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)CCc1ccccc1
BDBM50284725 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)NCc1ccccc1
BDBM50284726 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CSCCCc1ccccc1
BDBM50284727 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)CCC1CCCCC1
BDBM50284728 CN(CCc1ccccc1)CC(=O)[C@H](CC(O)=O)NC(=O)OCC=C
BDBM50284729 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNC(Cc1ccccc1)c1ccccc1
BDBM50284730 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNC(c1ccccc1)c1ccccc1
BDBM50284731 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNCCCc1ccccc1
BDBM50284732 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNCCc1ccccc1
BDBM50284733 OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C#N
BDBM50284734 OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1
BDBM50284735 NC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
BDBM50284736 NC(=O)c1ccc2ccccc2c1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
BDBM50284737 NC(=O)c1c(OCC(=O)C(CC(O)=O)NC(=O)OCC=C)ccc2ccccc12
BDBM50284738 CN(C)C(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
BDBM50284740 OCc1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
BDBM50284741 COC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
BDBM50284743 OC(=O)CC(NC(=O)OCC=C)C(=O)COc1ccccc1
BDBM50284744 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1-c1ncc[nH]1
BDBM50284745 NC(=O)c1ccc(cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C)-c1ccccc1
BDBM50284746 OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CCc1cc2ccccc2cc1-c1ncc[nH]1
BDBM50284747 OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cccc2ccccc12
BDBM50284748 NC(=O)c1ccccc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C
BDBM50284749 OC(=O)CC(NC(=O)OCC=C)C(=O)COc1ccc2ccccc2c1
BDBM50283338 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283339 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1
BDBM50283347 C[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283348 CC(C)[C@H](NC(=O)CC(Cl)Cl)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283349 C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283350 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50282977 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CS(=O)(=O)CCCc1ccccc1
BDBM50282978 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1
BDBM50283351 CC(C)[C@H](N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283352 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50282979 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CS(=O)CCCc1ccccc1
BDBM50282980 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CN(CCc1ccccc1)Cc1ccccc1
BDBM50283340 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(O)=O)C=O
BDBM50283341 CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283342 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283343 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=NNC(N)=O |w:34.35|
BDBM50283344 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1COC(=O)C1
BDBM50283345 CC(C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50283346 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50282981 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1
BDBM50282982 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)NCc1ccccc1
BDBM50282983 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCc1ccccc1
BDBM50282984 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CSCCCc1ccccc1
BDBM50273989 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cc(F)cc(F)c2)cc1 |r|
BDBM50273990 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC2CCOCC2)cc1 |r|
BDBM50273991 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccncn2)cc1 |r|
BDBM50273992 Fc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(CC#C)C(=O)C(=O)c3c2)c(F)c1 |r|
BDBM50273926 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1
BDBM50273927 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 |r|
BDBM50273928 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccc(F)c2)cc1 |r|
BDBM50273929 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 |r|
BDBM50273337 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1 |r|
BDBM50273338 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1 |r|
BDBM50273339 FCCn1cc(COC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(Cc4ccc(F)cc4)C(=O)C(=O)c3c2)nn1 |r|
BDBM50291983 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC1=C(Cc2ccccc2)C(=O)OC1 |c:33|
BDBM50291984 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1cc(nn1-c1ccccc1)C(F)(F)F
BDBM50291985 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1C(=O)N[C@@H](CC(O)=O)C(=O)COc1cc(nn1-c1ccccc1)C(F)(F)F
BDBM50291522 CCOC(=O)c1cc(nnc1Cl)-c1ccncc1
BDBM50291523 NC(=O)c1cc(nnc1Cl)-c1ccc(C#N)c(Cl)c1
BDBM50291524 NC(=O)c1cc(nnc1Cl)-c1ccc(Br)cc1
BDBM50291525 CNC(=O)c1cc(nnc1Cl)-c1ccncc1
BDBM50291526 NC(=O)c1cc(nnc1Cl)-c1ccncc1
BDBM50291527 NC(=O)c1cc(cnc1Cl)-c1ccncc1
BDBM50291528 COc1nnc(cc1C(N)=O)-c1ccncc1
BDBM50282105 Oc1ccccc1C(=O)NCCCc1ccccc1
BDBM50291529 Clc1nnc(cc1C#N)-c1ccncc1
BDBM50291530 CSc1nnc(cc1C(N)=O)-c1ccncc1
BDBM50291531 NC(=O)c1cc(nnc1Cl)-c1ccccc1
BDBM50291532 NC(=O)c1cc(nnc1Cl)-c1ccc(F)c(Cl)c1
BDBM50291533 NC(=O)c1cnnc(c1)-c1ccncc1
BDBM50291534 Cc1c(nnc(Cl)c1C(N)=O)-c1ccc(Cl)cc1
BDBM50291535 NC(=O)c1cc(nnc1Cl)-c1ccc(cc1)C(F)(F)F
BDBM50291536 CS(=O)(=O)c1c(F)cc(cc1F)-c1cc(C(N)=O)c(Cl)nn1
BDBM50291537 CCOC(=O)CNC(=O)c1cc(nnc1Cl)-c1ccncc1
BDBM50291538 NC(=O)c1cc(nnc1Cl)-c1ccc(Cl)cc1
BDBM50291539 Clc1nnc(cc1C(=O)NCc1ccccc1)-c1ccncc1
BDBM50291540 COc1ccc(cc1)-c1cc(C(N)=O)c(Cl)nn1
BDBM50291541 NC(=O)c1cc(nnc1Cl)-c1ccc(cc1)[N+]([O-])=O
BDBM50291542 CN(C)C(=O)c1cc(nnc1Cl)-c1ccncc1
BDBM50291543 NC(=O)c1cc(nnc1Cl)-c1ccc(cc1)C#N
BDBM50291544 NC(=O)c1cc(nnc1Cl)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
BDBM50291545 Clc1ccc(CNC(=O)c2cc(nnc2Cl)-c2ccncc2)c(Cl)c1
BDBM50291546 CNC(=O)c1cc(Cl)nnc1Cl
BDBM50290005 CC(C(=O)N[C@@H](CC(O)=O)C=O)n1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O
BDBM50290006 OC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O)C=O
BDBM50290007 CCCCc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C=O
BDBM50290008 Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C=O
BDBM50290009 CC(=O)NC(C(=O)Nc1ccc(Cc2ccccc2)n(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O)c1ccc(O)cc1
BDBM50290010 OC(=O)C[C@H](NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O)C=O
BDBM50290011 OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)CCc2ccccc2)c1=O)-c1ccccc1)C=O
BDBM50290012 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50290013 OC(=O)C[C@H](NC(=O)Cn1c(CCc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O)C=O
BDBM50290014 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50290015 C[C@@H](C(=O)N[C@@H](CC(O)=O)C=O)n1cccc(NC(=O)CCc2ccccc2)c1=O
BDBM50290016 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50289408 CCCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
BDBM50289409 CC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50289410 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1ccccc1
BDBM50289411 CC(C)C(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
BDBM50289412 OC(=O)C[C@H](NC(=O)C(CC=C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
BDBM50289413 Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289414 CCCCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289415 OC(=O)C[C@H](NC(=O)Cn1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
BDBM50289386 CCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289387 OC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1
BDBM50289388 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
BDBM50289389 CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1c(C)ccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50289390 OC(=O)C[C@H](NC(=O)Cn1cccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1
BDBM50289391 Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289392 CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1
BDBM50289393 CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
BDBM50289394 CCCCc1ncc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289395 CCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289396 Cc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289397 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1
BDBM50289398 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1
BDBM50289399 CCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289400 CC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
BDBM50289401 OC(=O)C[C@H](NC(=O)Cn1c(ncc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1
BDBM50289402 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50289403 COCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
BDBM50289404 OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1
BDBM50289406 Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
BDBM50289407 OC(=O)C[C@H](NC(=O)C(c1ccccn1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
BDBM50286304 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(O)=O)C=O
BDBM50303436 FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
BDBM50303441 CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
BDBM50302107 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
BDBM50308233 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1)CC(O)=O |r|
BDBM50308234 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CCCc1ccccc1)CC(O)=O |r|
BDBM50308235 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CN(C)C1CCCCC1)CC(O)=O |r|
BDBM50308236 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CN(C)Cc1ccccc1)CC(O)=O |r|
BDBM50308237 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNC1CCCCC1)CC(O)=O |r|
BDBM50308238 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc2OCOc2c1)CC(O)=O |r|
BDBM50308239 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc(cc1)C(N)=O)CC(O)=O |r|
BDBM50308240 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc(O)cc1)CC(O)=O |r|
BDBM50308241 COc1ccccc1CNC[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C |r|
BDBM50308242 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1F)CC(O)=O |r|
BDBM50308243 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1O)CC(O)=O |r|
BDBM50308244 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50318484 CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
BDBM50325237 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r|
BDBM50325241 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r|
BDBM50325242 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COCCCCCc1ccccc1 |r|
BDBM50325243 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccccc1 |r|
BDBM50325244 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCCc1ccccc1 |r|
BDBM50325245 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)COc1ccccc1 |r|
BDBM50325246 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CSc1ccccc1 |r|
BDBM50325247 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CNc1ccccc1 |r|
BDBM50325248 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccc2ccccc2c1 |r|
BDBM50325249 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccc2ccccc2c1 |r|
BDBM50325250 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1cccc2ccccc12 |r|
BDBM50325251 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)COc1cccc2ccccc12 |r|
BDBM50325252 CC(C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1cccc2ccccc12 |r|
BDBM50325253 Cc1ccc2ccccc2c1CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50325254 Cc1ccc(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc2ccccc2)c2ccccc12 |r|
BDBM50325255 Cc1cccc2c(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)cccc12 |r|
BDBM50325256 Cc1cccc2cccc(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)c12 |r|
BDBM50325257 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r|
BDBM50325258 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CC(c1ccccc1)c1ccccn1 |r|
BDBM50325259 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c[nH]c2ccccc12 |r|
BDBM50325260 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1coc2ccccc12 |r|
BDBM50325261 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1csc2ccccc12 |r|
BDBM50325262 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1cccc2scnc12 |r|
BDBM50325263 COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)[C@@H]12 |r|
BDBM50325264 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1CCCC1=O |r|
BDBM50325265 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r|
BDBM50325266 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1[C@@H]2CCCC[C@H]2CC1=O |r|
BDBM50325267 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COn1c(O)cc2ccccc12 |r|
BDBM50325268 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1Cc2ccccc2C1=O |r|
BDBM50325269 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)c1ccccc1 |r|
BDBM50325270 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)Cc1ccccc1 |r|
BDBM50325271 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)CCc1ccccc1 |r|
BDBM50325272 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)Cc1cccc2ccccc12 |r|
BDBM50325273 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)CCc1cccc2ccccc12 |r|
BDBM50325238 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 |r|
BDBM50325239 COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r|
BDBM50324935 CC(C)[C@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324936 CC(C)[C@H](CC(=O)NCCc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324937 CC(C)[C@H](CC(=O)NCCc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324938 CC(C)[C@H](CC(=O)NCCNc1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324939 CC(C)[C@H](CC(=O)N1CCCC(C1)Oc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324940 CC(C)[C@H](CC(=O)N(CCOc1ccccc1)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324941 CC(C)[C@H](CC(=O)N(CCOc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324942 CC(C)[C@H](CC(=O)NCCOc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324943 CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324944 COc1ccc(CCCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
BDBM50324945 CC(C)[C@H](CC(=O)NCCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324946 CC(C)[C@H](CC(=O)NCCc1ccnc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324947 CC(C)[C@H](CC(=O)NCCc1cc(nc2ccccc12)N(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324948 CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324949 CC(C)[C@H](CC(=O)NCCc1cccc2nc(OCCN(C)C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324950 CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324951 CC(C)[C@H](CC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324952 CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324953 CC(C)[C@H](CC(=O)NCCc1c(C)n(C)c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324954 CC(C)[C@H](CC(=O)NCCn1ccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324955 CC(C)[C@H](CC(=O)NCCn1cnc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324956 CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324957 CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324958 CC(C)[C@H](CC(=O)NCCn1c(C)nc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324959 CC(C)[C@H](CC(=O)NCCn1c(nc2ccccc12)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50324960 CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50325234 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1C(=O)C2C3OC(C=C3)C2C1=O |r,c:28,THB:30:29:27.28:25|
BDBM50325235 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r|
BDBM50325236 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1cccc2ccccc12 |r|
BDBM50325240 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COn1c(O)cc2ccccc12 |r|
BDBM50339185 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
BDBM50340526 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340527 FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340528 FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340529 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r|
BDBM50340530 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r|
BDBM50340531 FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340532 FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340536 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r|
BDBM50340537 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r|
BDBM50340538 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50340539 F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50340540 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r|
BDBM50340541 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)nn1 |r|
BDBM50340542 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1 |r|
BDBM50340543 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)nn1 |r|
BDBM50340544 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r|
BDBM50340545 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 |r|
BDBM50340546 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r|
BDBM50340533 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM50340534 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50340535 F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50379299 CC(C)[C@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3[C@H](COC3=O)[C@@]12C |r,c:19|
BDBM50379300 CC(C)[C@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@]3(O)[C@@]12C |r,t:19|
BDBM50426562 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42|
BDBM50426563 CC(C)(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:39.41|
BDBM50426564 CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM50426565 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51|
BDBM50426566 CCOC(=O)\C=C\[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C |r|
BDBM50431504 FCCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCCF |r|
BDBM50431505 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCCF |r|
BDBM50431506 FCCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50431507 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50431508 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC |r|
BDBM50431509 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50431510 COCCCC1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1
BDBM50431511 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1CCCOC
BDBM50431512 COCCCC1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
BDBM50431513 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50431514 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1CCOC |r|
BDBM50431515 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50431516 FCCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC(F)(F)F |r|
BDBM50431517 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC(F)(F)F |r|
BDBM50431518 FC(F)(F)COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50433441 C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1|
BDBM50422307 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
BDBM50422308 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COP(=O)(c1ccccc1)c1ccccc1
BDBM166682 Cc1c(C)c2O[C@@](C)(CN3CCN(CC3)c3cc(nc(n3)N3CCCC3)N3CCCC3)CCc2c(C)c1O
BDBM166683 C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 |r,c:3,12,t:8|
BDBM166685 CCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1
BDBM166686 CC(C)C1=CC(=O)C(C)=CC1=O |c:8,t:3|
BDBM50031594 CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031595 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 |r|
BDBM50031596 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 |r|
BDBM50031597 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 |r|
BDBM50031605 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 |r|
BDBM50031606 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 |r|
BDBM50031607 CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031609 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r|
BDBM50031610 CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031611 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 |r|
BDBM32020 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
BDBM50033886 CCOC(=O)C(=C)C(O)c1ccccc1Cl
BDBM50031608 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 |r|
BDBM223312 OC(=O)Cc1ccc(cc1)-c1ccccc1
BDBM223313 CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
BDBM50142040 [H][C@]12[C@H](C(=O)CCCCCCCCC)C(=O)O[C@@]1(C)C(=O)C=C1C=C(C[C@H](C)O)OC=C21 |r,t:22,24,31|
BDBM50142071 CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O |r,c:11,25,t:13,15|
BDBM50142072 CCCCCCCCCC(=O)[C@@]12O[C@@]11C3=COC(C[C@H](C)O)=CC3=CC(=O)[C@]1(C)OC2=O |r,c:22,25,t:15|
BDBM50200549 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1
BDBM50200550 C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1
BDBM50200545 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1
BDBM50200546 COc1cccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)c1
BDBM50200547 C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200548 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
BDBM50200551 C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200552 FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F
BDBM50200553 CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50200555 [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
BDBM50200556 [O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM50213208 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cc2ccccc2cc1C(N)=O |r|
BDBM50284739 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 |r|
BDBM50200543 COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1
BDBM50200544 O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
BDBM50200554 FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
BDBM314073 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM50453063 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@@H]1CC(O)OC(=O)C1 |r|
BDBM50453064 CCC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r|
BDBM50453065 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453027 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(cn1)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453028 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1C2CCC(O)(CC2)C1C(=O)N[C@H]1CC(=O)OC1O |r,wU:31.34,wD:3.3,TLB:17:19:22.21:25.26,THB:28:27:22.21:25.26,(22.02,-19.37,;20.71,-18.6,;19.36,-19.36,;20.71,-17.06,;19.38,-16.28,;18.05,-17.04,;18.05,-18.58,;16.72,-16.27,;16.72,-14.72,;15.4,-13.95,;14.07,-14.71,;12.74,-13.94,;11.41,-14.71,;11.41,-16.25,;12.74,-17.02,;14.07,-16.26,;15.4,-17.02,;22.04,-16.3,;22.04,-14.77,;23.37,-17.08,;23.96,-18.5,;22.85,-19.96,;24.34,-19.55,;25.64,-17.84,;26.41,-16.5,;27.34,-18.43,;25.83,-18.96,;24.9,-16.45,;24.9,-14.91,;23.57,-14.14,;26.23,-14.14,;26.2,-12.61,;24.82,-11.85,;25.14,-10.28,;24.02,-9.22,;26.66,-10.09,;27.33,-11.53,;28.81,-11.89,)|
BDBM50453029 CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453031 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r|
BDBM50453034 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453035 CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453040 CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc3ccccc3c2)cn(C)c1=O |r|
BDBM50453041 CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453042 CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CNC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453044 C[C@H](N1C(=O)CC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453045 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r|
BDBM50453052 CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(C(C)C(=O)N[C@H]2CC(=O)OC2O)c1=O |r|
BDBM50453053 CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r|
BDBM50453054 [H][C@@]12C[C@H](N(C1)C(=O)[C@H](CCCCO2)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453059 C[C@H](N1C(=O)NC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453944 CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453043 C[C@H](N1C(=O)CCC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453060 CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r|
BDBM50453061 CCC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ncc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r|
BDBM50453062 CCC(C(=O)N[C@@H]1CC(O)OC(=O)C1)n1c(=O)c(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r|
BDBM50453945 [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1nccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50453946 [H][C@]12CC[C@](O)(CC1)[C@H](N2C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[C@H]1CC(=O)OC1O |r,wU:12.29,8.32,wD:4.4,1.0,32.35,(59.86,-12.32,;58.32,-12.32,;57.56,-13.65,;56.02,-13.65,;55.24,-12.32,;53.7,-12.31,;56.6,-12.95,;56.98,-11.71,;56.02,-10.99,;57.56,-10.99,;58.33,-9.66,;57.56,-8.32,;59.87,-9.66,;60.64,-8.32,;62.18,-8.33,;62.95,-9.66,;62.96,-6.99,;62.18,-5.66,;62.95,-4.33,;64.5,-4.33,;65.27,-3,;66.8,-3,;67.57,-4.34,;66.8,-5.67,;65.26,-5.66,;64.5,-7,;60.64,-10.99,;62.18,-10.99,;60.62,-12.54,;55.25,-9.66,;56.02,-8.32,;53.71,-9.66,;52.93,-8.32,;52.97,-6.78,;51.51,-6.27,;51.07,-4.79,;50.58,-7.5,;51.45,-8.77,;50.94,-10.21,)|
BDBM50453030 CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc(C)cn3)cc2)cn(C)c1=O |r|
BDBM480973 O=C(N1CCCCC1)c1cnc(NC2(CC2)c2cncnc2)nc1
BDBM572144 OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM572145 OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1=O)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM572146 OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1ccnc(n1)C(F)(F)F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM572147 OC(=O)C[C@H](NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM50602640 [Na;v0+].[#6]C([#6])([#6])[#6]-[#6@@H](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccccc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 |r|
BDBM50602641 CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50602626 [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1
BDBM50602627 [Na;v0+].[#6]C([#6])([#6])[#6]-[#6](-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1
BDBM50602628 [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6](-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-c1ccccc1)-[#6]-[#6](-[#8-])=O
BDBM50602629 [Na;v0+].[#6]C([#6])([#6])[#6]-[#6@@H](-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 |r|
BDBM50602630 [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@@H](-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-c1ccccc1)-[#6]-[#6](-[#8-])=O |r|
BDBM50602631 [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@H](-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-c1ccccc1)-[#6]-[#6](-[#8-])=O |r|
BDBM50602632 [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@@H](-c1cccs1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-[#6]-[#6](-[#8-])=O |r|
BDBM50602633 [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@H](-c1cccs1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-[#6]-[#6](-[#8-])=O |r|
BDBM50602634 [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@@H](-c1cccs1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c1ccccc1)-[#6]-[#6](-[#8-])=O |r|
BDBM50602635 [Na;v0+].[#6]-[#8]-c1cc2-[#6]-[#6]-[#7](-[#6]-c2cc1-[#8]-[#6])-[#6](=O)-[#6]-[#6]-[#6]-n1nnnc1-[#6](-[#6]C([#6])([#6])[#6])-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O
BDBM50602636 [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccccc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1
BDBM50602637 [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccc(F)cc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1
BDBM50602638 [Na;v0+].[#6]C([#6])([#6])[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccccc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1
BDBM50602639 [Na;v0+].[#6]C([#6])([#6])[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccc(F)cc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1
CHEMBL5280661 CCCCCCN(C)CC(=O)C(CC(O)=O)NC(=O)[C@H](CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C |r|