Smiles,PubChem CID,IC50 (nM),
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCCN1)C1=O)/C=C(/C(N)=O)\C#N)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,132135023,active,1170
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCCN1)C1=O)C(O)S([O-])(=O)=O)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O.[Na+],145962598,active,2630
CC(C)C[C@@H](C(NC(C[C@H](CCN1)C1=O)C1OC1S(C)(=O)=O)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,132135175,active,30000
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCCN1)C1=O)C(C(F)(F)F)=O)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,132135021,active,2630
CC(C)C[C@@H](C(NC(C[C@H](CCN1)C1=O)/C=C/C=O)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,145961666,inactive,10000
CC(C)C[C@@H](C(NC(C[C@H](CCN1)C1=O)C1OC1)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,145961913,inactive,10000
CC(C)C[C@@H](C(N[C@@H](CNC(N1CCC1)=O)CO)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,145963349,inactive,10000
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCCN1)C1=O)CCl)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,145961496,inactive,10000
CC(C)C[C@@H](C(N[C@@H](CCC(N1CCC1)=O)CO)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,145961543,active,502
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCCN1)C1=O)C=O)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,132135039,active,150
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCN1)C1=O)CS)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,132135153,inactive,10000
CC(C)C[C@@H](C(N[C@@H](C[C@H](CCN1)C1=O)C=O)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,71544385,active,60
CC(C)C[C@@H](C(N[C@@H](Cn1nncc1)CO)=O)NC([C@H](Cc1cccc2ccccc12)NC(OCc1ccccc1)=O)=O,145963394,inactive,10000
CC1=NC2=NC=CC2C(N)=N1,18334366,inactive,10000
CC(N=C(C12)N)=NC1=NC=C2C(N)=O,126562363,inactive,100000
C[C@@H](Cn1c2nc(C)nc(N)c2cc1)O,134823796,inactive,100000
CC(N=C(C12)Cl)=NC1=NC=C2C(OC)=O,126561942,inactive,100000
Cc1nc(N)c(ccn2[C@@H]3OC=CC3)c2n1,134823811,inactive,100000
Cc1nc(n([C@@H]2OC=CC2)cc2)c2c(Cl)n1,134823810,inactive,100000
Cc1nc(n(C[C@@H](CO)O)cc2)c2c(Cl)n1,134823803,inactive,100000
C[C@@H](Cn1c2nc(C)nc(N)c2c(C(N)=O)c1)O,134823795,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2C[C@@H](CO)O)c2n1,126578505,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]3OCCC3)c2n1,134823806,inactive,100000
Cc1nc(N)c(c(C#N)cn2[C@@H](C=C3)O[C@@H]3O)c2n1,134823807,inactive,100000
Cc1nc(N)c(c(C#N)cn2[C@@H](C=C3)O[C@@H]3O)c2n1,134823807,inactive,100000
Cc1nc(N)c(ccn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,76318222,inactive,100000
Cc1nc(N)c(ccn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,76318222,inactive,100000
Cc1nc(N)c(ccn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,76318222,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H](C=C3)O[C@@H]3O)c2n1,134823813,inactive,100000
Cc1nc(n([C@@H]([C@@H]([C@@H]2O)O)O[C@@H]2O)cc2C#N)c2c(Cl)n1,134823809,inactive,100000
Cc1nc(N)c(c(I)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,76314649,inactive,100000
Cc1nc(n([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)cc2C#N)c2c(Cl)n1,126561662,inactive,100000
Cc(nc1)nc2c1c(C(N)=O)cn2[C@@H]([C@@H]1O)O[C@H](CO)[C@H]1O,126562372,inactive,100000
Cc1nc(O)c(c(C#N)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126562369,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H](C3)O[C@H](CO)[C@H]3O)c2n1,126564503,inactive,100000
C[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1,126564505,inactive,100000
Cc1nc(N)c(c(C#N)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561637,inactive,121000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@H]3O)c2n1,130206331,inactive,100000
Cc1nc(SC)c(c(I)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561792,inactive,100000
Cc(nc1)nc2c1c(C(O)=O)cn2[C@@H]([C@@H]1O)O[C@H](CO)[C@H]1O,126562373,inactive,100000
Cc1nc(OC)c(c(I)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561789,inactive,100000
C[C@H](Cn1c2nc(C)nc(N)c2c(C(N)=O)c1)OCP(O)(O)=O,126562807,inactive,100000
Cc1nc(O)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126562362,inactive,53800
Cc1nc(OC)c(c(CN)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,134823794,inactive,100000
Cc1nc(OC)c(c(C#N)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126562360,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CN)[C@H]3O)c2n1,126561681,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3N)c2n1,126564506,inactive,100000
Cc1nc(N)c(c(C(N)=N)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561676,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(N)nc(N)c12)=O,126561673,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3F)c2n1,126562381,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@@H](CO)[C@H]3O)c2n1,134823822,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126520436,active,2650
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126520436,active,3080
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126520436,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126520436,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@H]3O)O[C@H](CO)[C@H]3O)c2n1,126578509,active,50000
Cc1nc(N)c(c(S(O)(=O)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126564482,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(C#N)nc(N)c12)=O,134823821,inactive,100000
Cc1nc(NN)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561678,inactive,100000
Cc1nc(N)c(c(C(NO)=N)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126564484,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H](C3(F)F)O[C@H](CO)[C@H]3O)c2n1,126562814,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(CO)nc(N)c12)=O,126562382,inactive,100000
Cc1nc(NO)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561677,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2[n+]1[O-],126585917,active,23600
CCc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126564495,inactive,200000
C[C@@]1([C@H](n2c3nc(C)nc(N)c3c(C(N)=O)c2)O[C@H](CO)[C@H]1O)O,126562811,inactive,100000
CC([C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)O,126578513,inactive,100000
Cc1nc(NC)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126562366,inactive,100000
Cc1nc(N)c(c(C(NC)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561791,inactive,100000
Cc1nc(n([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c(Br)c2C(N)=O)c2c(N)n1,126561944,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@]3(CO)F)c2n1,126561691,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2C[C@@H](CO)OCP(O)(O)=O)c2n1,126562810,inactive,100000
Cc1nc(N)c(c(-c2nnn[nH]2)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126562361,inactive,61500
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3N=[N+]=[N-])O[C@H](CO)[C@H]3O)c2n1,134823818,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3N=[N+]=[N-])c2n1,126564507,inactive,100000
Cc1nc(N)c(c(C#N)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@]3(CO)[N-][N+]#N)c2n1,126561684,inactive,100000
Cc1nc(N)c(c(C(N)=O)c(C=C)n2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126578508,inactive,100000
Cc1nc(N(C)C)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126562368,inactive,100000
CC#Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126564502,inactive,100000
Cc1nc(N)c(c(C(N(C)C)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561790,inactive,100000
Cc1nc(N)c(c(C(OC)=N)cn2[C@@H]([C@@H]3O)O[C@H](C[N-][N+]#N)[C@H]3O)c2n1,134823805,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@]3(CO)N=[N+]=[N-])c2n1,126578514,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(C(F)(F)F)nc(N)c12)=O,126562808,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(C(F)(F)F)nc(N)c12)=O,126562808,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CP(O)(O)=O)[C@H]3O)c2n1,126578512,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CC4)[C@H]3OP4(O)=O)c2n1,126561674,inactive,100000
CC1(C)O[C@H]2[C@H](n3c4nc(C)nc(N)c4c(C(N)=O)c3)O[C@H](CO)[C@H]2O1,126561933,active,20000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O4)O)O[C@@H]3OCP4(O)=O)c2n1,134823799,inactive,100000
CCOP(CO[C@H](C)Cn1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,126562806,inactive,100000
Cc1nc(N)c(ccn2[C@@H]([C@@H]3O)O[C@H](COCc4ccccc4)[C@H]3O)c2n1,134823800,inactive,100000
Nc1c(c(C#N)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2nc(-c2ccccc2)n1,126561656,inactive,100000
Cc1nc(N)c(c(C(OC)=N)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@]3(CO)[N-][N+]#N)c2n1,126562769,inactive,100000
Cc1nc(/N=C/N(C)C)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2n1,126561692,active,5500
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](COP(O)(O)=O)[C@H]3O)c2n1,126562397,active,3150
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@H]3OCP(O)(O)=O)c2n1,126564497,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@H]3OCP(O)(O)=O)c2n1,126564497,inactive,100000
CCOP(CO[C@H](C=C1)O[C@H]1n(cc1C#N)c2c1c(Cl)nc(C)n2)(OCC)=O,134823808,inactive,100000
C[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)N,126561699,active,2000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]([C@@H]3O)O)O[C@@H]3OCCP(O)(O)=O)c2n1,134823814,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](COCP(O)(O)=O)[C@H]3O)c2n1,126564499,inactive,100000
CCOP(CO[C@@H](Cn1c2nc(C)nc(N)c2c(C(N)=O)c1)CO)(OCC)=O,126561689,inactive,100000
CCOP(COC(Cn1c2nc(C)nc(N)c2c(C(N)=O)c1)CO)(OCC)=O,134823820,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12)=S,126561657,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12)=S,126561657,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12)=O,126564496,inactive,100000
Cc1nc(N)c(c(C#N)cn2[C@@H]([C@@H]3O)O[C@H](COCc4ccccc4)[C@H]3O)c2n1,134823792,inactive,100000
CC(C)[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)N,126561797,active,3025
CCOP(COC[C@H](C=C1)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,126564498,inactive,100000
CCOP(CO[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C#N)c1)(OCC)=O,126561663,inactive,100000
CCOP(CO[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C#N)c1)(OCC)=O,126561663,inactive,100000
CCOP(C[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,126578511,inactive,100000
Cc1nc(N)c(c(C(O)=O)cn2[C@@H]([C@@H]3O)O[C@H](COCc4ccccc4)[C@H]3O)c2n1,134823793,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](COCc4ccccc4)[C@H]3O)c2n1,134823790,inactive,100000
CCOP(CCO[C@H]([C@H]([C@H]1O)O)O[C@H]1n(cc1C#N)c2c1c(Cl)nc(C)n2)(OCC)=O,134823812,inactive,100000
CC(C)C[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)N,126564473,active,4400
CC(C)[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)OC1(C)n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)N,134823819,inactive,100000
CCOP(CO[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,130396105,inactive,100000
CCOP(CC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,126561664,inactive,100000
CC(OC[C@H]([C@H]([C@H]1OC(C)=O)OC(C)=O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O,126562379,inactive,88700
CCOP(COC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,126562816,inactive,100000
CCCC(CCC)C(Nc1c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2nc(C)n1)=O,126562378,inactive,100000
Cc1nc(N)c(c(C#N)cn2[C@@H]([C@@H]3O)O[C@H](COC(C(OC)=O)P(OC)(OC)=O)[C@H]3O)c2n1,134823801,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](COC(C(OC)=O)P(OC)(OC)=O)[C@H]3O)c2n1,134823802,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](COC([C@H](Cc4ccccc4)N)=O)[C@H]3O)c2n1,126561999,active,2200
CC1(C)O[C@H]2[C@H](n3c4nc(C)nc(N)c4c(C(OC)=N)c3)O[C@H](COS(CCCCl)(=O)=O)[C@H]2O1,134823804,inactive,100000
CCOP(COC[C@H]([C@H]1OC(C)(C)O[C@H]11)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCC)=O,126561935,inactive,100000
CC(C)OC([C@H](C)NP(O)(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)=O,126562365,active,3200
CC(Nc1c(c(C(N)=O)cn2[C@@H]([C@@H]3OC(C)=O)O[C@H](COC(C)=O)[C@H]3OC(C)=O)c2nc(C)n1)=O,130207001,inactive,100000
NC(c1cn([C@@H]([C@@H]2O)O[C@H](COCc3ccccc3)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12)=O,134823789,inactive,100000
CC(C)[C@@H](C(OC[C@H]([C@H]([C@@]1(C)O)OC(C(C(C)C)N)=O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)N,126561679,inactive,100000
C[C@@H](C(OC)=O)NP(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(Oc1ccccc1)=O,126561651,active,21000
CC(C)[C@@H](C(OC[C@H]([C@H]([C@@]1(C)O)O)O[C@H]1n1c2nc(C)nc(OC)c2c(C(N)=O)c1)=O)NC(OC(C)(C)C)=O,134823797,inactive,100000
C[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)c(ccc1c2)cc1ccc2OC,126561949,active,20200
C[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)c(ccc1c2)cc1ccc2OC,126561949,inactive,71800
CC(C)OC([C@H](C)NP(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(Oc1ccccc1)=O)=O,126564487,inactive,100000
Cc1nc(N)c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](COP(NCc4ccccc4)(NCc4ccccc4)=O)[C@H]3O)c2n1,134823816,inactive,64500
C[C@@H](C(OC[C@H]([C@H]1OC(C)(C)O[C@@H]11)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)c(ccc1c2)cc1ccc2OC,126561953,inactive,100000
CC(C)OC([C@H](C)NP(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCc1c(C)cccc1)=O)=O,126561650,active,20000
CC(C)OC([C@H](C)NP(OC[C@H]([C@H]([C@H]1O2)OC2=O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(Oc1ccccc1)=O)=O,126564491,inactive,68400
CCCCCCCCCCCCCCCCOCCC(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O,126562829,active,3500
CCCCCCCCCCCCCCCCOCCCOP(CO[C@@H](Cn1c2nc(C)nc(N)c2c(C(N)=O)c1)CO)(O)=O,126561686,inactive,75300
C[C@@H](C(OCc1ccccc1)=O)NP(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(Oc1ccccc1)=O,126562007,active,18100
CCCCCCCCCCCCCCCCOCCCC(Nc1c(c(C(N)=O)cn2[C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2nc(C)n1)=O,134823815,active,42700
CC(C)[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)NC(OCC1C2C=CC=CC2C2C=CC=CC12)=O,134823798,inactive,100000
CCCCCCCCCCCCCCCCOCCCOP(O)(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O,126562823,inactive,100000
CCCCCCCCCCCCCCCCOCCCOP(COC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(O)=O,126564494,active,20000
CC(C)C[C@@H](C(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)NC(OCC1c(cccc2)c2-c2c1cccc2)=O,126562001,active,16400
CCCCCCCCCCCCCCCOCCCOP(COC[C@H]([C@H]1OC(C)(C)O[C@H]11)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(O)=O,134823791,inactive,100000
CC(C)C(O[C@H]([C@@H](COP(N[C@@H](C)C(OC(C)C)=O)(Oc1ccccc1)=O)O[C@H]1n2c3nc(C)nc(N)c3c(C(N)=O)c2)[C@H]1OC(C(C)C)=O)=O,126561652,active,25700
C[C@H](C(OCc1ccccc1)=O)NP(N[C@@H](C)C(OCc1ccccc1)=O)(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O,126561649,active,33600
C[C@H](C(OCc1ccccc1)=O)NP(N[C@@H](C)C(OCc1ccccc1)=O)(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O,126561649,active,38900
CCCCCCCCCCCCCCCCOCCCOC([C@H](C)NP(O)(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O)=O,126562012,active,26300
CCCCCCCCCCCCCCCCOCCCOP(N[C@@H](C)C(OC(C)C)=O)(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)=O,126562805,inactive,100000
CCCCCCCCCCCCCCCCOCCCOC([C@H](C)NP(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(Oc1ccccc1)=O)=O,126561799,active,2300
CCCCCCCCCCCCCCCOCCCOC(C(C)NP(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2nc(C)nc(N)c2c(C(N)=O)c1)(OCc1c(C)cccc1)=O)=O,134823817,inactive,100000
CCCCCCCCC(Oc1ccc(COP(OCc(cc2)ccc2OC(CCCCCCCC)=O)(OP(O)(OC[C@H]([C@H]([C@H]2O)O)O[C@H]2n2c3nc(C)nc(N)c3c(C(N)=O)c2)=O)=O)cc1)=O,126562359,active,7400
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(CCN(C(c1c2cccc1)=O)C2=O)(=O)=O)=O,137633151,active,2500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c(cc1)ccc1F)(=O)=O)=O,137633393,active,4800
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(Cc1ccccc1)(=O)=O)=O,137634177,active,4500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c1cccs1)(=O)=O)=O,137636414,active,10400
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c1cccc(Cl)c1)(=O)=O)=O)O)(=O)=O.[Na+],137637608,active,5700
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c(cc1)ccc1-c1ccccc1)(=O)=O)=O)O)(=O)=O.[Na+],137637678,active,1100
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c(cc1)ccc1-c1ccccc1)(=O)=O)=O,137638191,active,1300
COc(cc1)ccc1OCCCS(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H](CCN1)C1=O)C(O)S([O-])(=O)=O)=O)(=O)=O.[Na+],137639039,active,1600
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c(cc1)ccc1Cl)(=O)=O)=O)O)(=O)=O.[Na+],137639151,active,5100
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(CCc1ccccc1)(=O)=O)=O,137640094,active,1800
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(CCN(C(c1c2cccc1)=O)C2=O)(=O)=O)=O)O)(=O)=O.[Na+],137641059,active,2600
CCCCCCCCCCOC(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H](CCN1)C1=O)C=O)=O)=O,137641232,active,300
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c1ccccc1)(=O)=O)=O)O)(=O)=O.[Na+],137641617,active,13500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c(cc1)ccc1Cl)(=O)=O)=O,137646148,active,5800
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(CCc1cccc(Cl)c1)(=O)=O)=O)O)(=O)=O.[Na+],137646303,active,1900
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(CCc1cccc(Cl)c1)(=O)=O)=O,137648086,active,2300
CCCCCCCCS(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H](CCN1)C1=O)C(O)S([O-])(=O)=O)=O)(=O)=O.[Na+],137648704,active,1100
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NC(OCCc1cccc(Cl)c1)=O)=O)O)(=O)=O.[Na+],137649104,active,500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c1cccc(Cl)c1)(=O)=O)=O,137651225,active,5500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c1ccccc1)(=O)=O)=O,137651498,active,8500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NC(OCCOCc1ccccc1)=O)=O,137653148,active,2100
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(Cc(cc1)ccc1Cl)(=O)=O)=O,137653744,active,1800
CCCCCCCCS(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H](CCN1)C1=O)C=O)=O)(=O)=O,137653863,active,1200
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(CCc1ccccc1)(=O)=O)=O)O)(=O)=O.[Na+],137654970,active,2100
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(Cc1ccccc1)(=O)=O)=O)O)(=O)=O.[Na+],137655570,active,4300
CCCCCCCCCCOC(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H](CCN1)C1=O)C(O)S([O-])(=O)=O)=O)=O.[Na+],137655624,active,400
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c1cccs1)(=O)=O)=O)O)(=O)=O.[Na+],137656006,active,8500
O=C[C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NC(OCCc1cccc(Cl)c1)=O)=O,137656755,active,600
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(Cc(cc1)ccc1Cl)(=O)=O)=O)O)(=O)=O.[Na+],137657819,active,1200
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NS(c(cc1)ccc1F)(=O)=O)=O)O)(=O)=O.[Na+],137658937,active,6200
[O-]S(C([C@H](C[C@H](CCN1)C1=O)NC([C@H](CC1CCCCC1)NC(OCCOCc1ccccc1)=O)=O)O)(=O)=O.[Na+],137659845,active,1600
COc(cc1)ccc1OCCCS(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H](CCN1)C1=O)C=O)=O)(=O)=O,137660498,active,1800