Target,pdb_id,Chain,Warhead,Residue_ID,SMILES,%Exposed,pdb_path,sdf_path,sdf_available
TYMS,3ob7,A,GSH,581,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,0.95,/app/jobs/e5bc5765/WAR_PDB/TYMS/3ob7_A_GSH.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/3ob7_A_GSH_581.sdf,True
TYMS,3ob7,D,GSH,314,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,0.85,/app/jobs/e5bc5765/WAR_PDB/TYMS/3ob7_D_GSH.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/3ob7_D_GSH_314.sdf,True
TYMS,5x66,A,MTX,402,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.848,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x66_A_MTX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x66_A_MTX_402.sdf,True
TYMS,5x66,D,MTX,402,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.818,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x66_D_MTX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x66_D_MTX_402.sdf,True
TYMS,5x5q,E,D16,402,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.812,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x5q_E_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x5q_E_D16_402.sdf,True
TYMS,5x5q,F,D16,402,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.812,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x5q_F_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x5q_F_D16_402.sdf,True
TYMS,5wrn,B,DCM,400,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1,0.8,/app/jobs/e5bc5765/WAR_PDB/TYMS/5wrn_B_DCM.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5wrn_B_DCM_400.sdf,True
TYMS,5wrn,D,DCM,400,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1,0.8,/app/jobs/e5bc5765/WAR_PDB/TYMS/5wrn_D_DCM.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5wrn_D_DCM_400.sdf,True
TYMS,5x67,A,7Z9,402,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.8,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x67_A_7Z9.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x67_A_7Z9_402.sdf,True
TYMS,5x66,C,MTX,402,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.788,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x66_C_MTX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x66_C_MTX_402.sdf,True
TYMS,5x66,E,MTX,402,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.788,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x66_E_MTX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x66_E_MTX_402.sdf,True
TYMS,6f6z,A,TGQ,502,CN(C[C@H]1CNc2[nH]c(N)nc(=O)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.788,/app/jobs/e5bc5765/WAR_PDB/TYMS/6f6z_A_TGQ.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6f6z_A_TGQ_502.sdf,True
TYMS,5x5q,A,D16,402,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.781,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x5q_A_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x5q_A_D16_402.sdf,True
TYMS,5x5q,B,D16,402,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.781,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x5q_B_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x5q_B_D16_402.sdf,True
TYMS,5x5q,D,D16,402,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.781,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x5q_D_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x5q_D_D16_402.sdf,True
TYMS,6y08,B,08D,502,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0.765,/app/jobs/e5bc5765/WAR_PDB/TYMS/6y08_B_08D.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6y08_B_08D_502.sdf,True
TYMS,5x66,B,MTX,402,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.758,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x66_B_MTX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x66_B_MTX_402.sdf,True
TYMS,5x66,F,MTX,402,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.758,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x66_F_MTX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x66_F_MTX_402.sdf,True
TYMS,4ez8,A,DHF,402,Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)=N2,0.75,/app/jobs/e5bc5765/WAR_PDB/TYMS/4ez8_A_DHF.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/4ez8_A_DHF_402.sdf,True
TYMS,5hs3,E,KI3,401,Cc1cc(O)nc2sc(C(=O)c3ccccc3)c(N)c12,0.75,/app/jobs/e5bc5765/WAR_PDB/TYMS/5hs3_E_KI3.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5hs3_E_KI3_401.sdf,True
TYMS,5wrn,F,DCM,400,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1,0.75,/app/jobs/e5bc5765/WAR_PDB/TYMS/5wrn_F_DCM.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5wrn_F_DCM_400.sdf,True
TYMS,5x5q,C,D16,402,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.75,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x5q_C_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x5q_C_D16_402.sdf,True
TYMS,5x67,B,7Z9,402,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.75,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x67_B_7Z9.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x67_B_7Z9_402.sdf,True
TYMS,6gyj,A,FGT,502,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0.75,/app/jobs/e5bc5765/WAR_PDB/TYMS/6gyj_A_FGT.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6gyj_A_FGT_502.sdf,True
TYMS,4e28,A,0MZ,403,O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2O)N=C1O)Nc1cccc(C(F)(F)F)c1,0.727,/app/jobs/e5bc5765/WAR_PDB/TYMS/4e28_A_0MZ.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/4e28_A_0MZ_403.sdf,True
TYMS,6pf6,C,OEJ,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)Nc4cc(C(=O)O)ccc4C(=O)O)cc3)c2c(=O)[nH]1,0.727,/app/jobs/e5bc5765/WAR_PDB/TYMS/6pf6_C_OEJ.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6pf6_C_OEJ_601.sdf,True
TYMS,6zxo,A,D16,401,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.719,/app/jobs/e5bc5765/WAR_PDB/TYMS/6zxo_A_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6zxo_A_D16_401.sdf,True
TYMS,6zxo,F,D16,401,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.719,/app/jobs/e5bc5765/WAR_PDB/TYMS/6zxo_F_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6zxo_F_D16_401.sdf,True
TYMS,6f6z,A,NOH,501,O=c1nc(NO)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,0.714,/app/jobs/e5bc5765/WAR_PDB/TYMS/6f6z_A_NOH.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6f6z_A_NOH_501.sdf,True
TYMS,6pf3,D,OE7,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)O)cc3)c2c(=O)[nH]1,0.71,/app/jobs/e5bc5765/WAR_PDB/TYMS/6pf3_D_OE7.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6pf3_D_OE7_601.sdf,True
TYMS,6y08,A,08D,502,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0.706,/app/jobs/e5bc5765/WAR_PDB/TYMS/6y08_A_08D.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6y08_A_08D_502.sdf,True
TYMS,5wrn,A,DCM,400,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1,0.7,/app/jobs/e5bc5765/WAR_PDB/TYMS/5wrn_A_DCM.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5wrn_A_DCM_400.sdf,True
TYMS,6f6z,B,TGQ,502,CN(C[C@H]1CNc2[nH]c(N)nc(=O)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0.697,/app/jobs/e5bc5765/WAR_PDB/TYMS/6f6z_B_TGQ.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6f6z_B_TGQ_502.sdf,True
TYMS,4g2o,X,TIY,500,O=c1c(O)cccc2cc(O)c(O)c(O)c12,0.688,/app/jobs/e5bc5765/WAR_PDB/TYMS/4g2o_X_TIY.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/4g2o_X_TIY_500.sdf,True
TYMS,5hs3,A,KI3,401,Cc1cc(O)nc2sc(C(=O)c3ccccc3)c(N)c12,0.688,/app/jobs/e5bc5765/WAR_PDB/TYMS/5hs3_A_KI3.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5hs3_A_KI3_401.sdf,True
TYMS,6zxo,B,D16,401,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.688,/app/jobs/e5bc5765/WAR_PDB/TYMS/6zxo_B_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6zxo_B_D16_401.sdf,True
TYMS,6zxo,C,D16,401,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.688,/app/jobs/e5bc5765/WAR_PDB/TYMS/6zxo_C_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6zxo_C_D16_401.sdf,True
TYMS,6zxo,E,D16,401,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.688,/app/jobs/e5bc5765/WAR_PDB/TYMS/6zxo_E_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6zxo_E_D16_401.sdf,True
TYMS,6pf3,A,OE7,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)O)cc3)c2c(=O)[nH]1,0.677,/app/jobs/e5bc5765/WAR_PDB/TYMS/6pf3_A_OE7.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6pf3_A_OE7_601.sdf,True
TYMS,6pf3,B,OE7,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)O)cc3)c2c(=O)[nH]1,0.677,/app/jobs/e5bc5765/WAR_PDB/TYMS/6pf3_B_OE7.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6pf3_B_OE7_601.sdf,True
TYMS,6pf3,C,OE7,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)O)cc3)c2c(=O)[nH]1,0.677,/app/jobs/e5bc5765/WAR_PDB/TYMS/6pf3_C_OE7.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6pf3_C_OE7_601.sdf,True
TYMS,4e28,A,9MZ,404,O=C(C[C@@H]1SC(N/N=C/c2ccccc2O)=NC1=O)Nc1cccc(C(F)(F)F)c1,0.674,/app/jobs/e5bc5765/WAR_PDB/TYMS/4e28_A_9MZ.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/4e28_A_9MZ_404.sdf,True
TYMS,4ez8,A,NOH,401,O=c1nc(NO)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,0.667,/app/jobs/e5bc5765/WAR_PDB/TYMS/4ez8_A_NOH.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/4ez8_A_NOH_401.sdf,True
TYMS,5x69,E,7ZC,401,COc1ccc2[nH]cc(CN(C)C)c2c1,0.667,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x69_E_7ZC.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x69_E_7ZC_401.sdf,True
TYMS,6f6z,B,NOH,501,O=c1nc(NO)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,0.667,/app/jobs/e5bc5765/WAR_PDB/TYMS/6f6z_B_NOH.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6f6z_B_NOH_501.sdf,True
TYMS,6gko,B,FGT,502,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0.667,/app/jobs/e5bc5765/WAR_PDB/TYMS/6gko_B_FGT.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6gko_B_FGT_502.sdf,True
TYMS,6zxo,D,D16,401,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,0.656,/app/jobs/e5bc5765/WAR_PDB/TYMS/6zxo_D_D16.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6zxo_D_D16_401.sdf,True
TYMS,5wrn,C,DCM,400,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1,0.65,/app/jobs/e5bc5765/WAR_PDB/TYMS/5wrn_C_DCM.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5wrn_C_DCM_400.sdf,True
TYMS,5wrn,E,DCM,400,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1,0.65,/app/jobs/e5bc5765/WAR_PDB/TYMS/5wrn_E_DCM.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5wrn_E_DCM_400.sdf,True
TYMS,6pf6,B,OEJ,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)Nc4cc(C(=O)O)ccc4C(=O)O)cc3)c2c(=O)[nH]1,0.636,/app/jobs/e5bc5765/WAR_PDB/TYMS/6pf6_B_OEJ.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6pf6_B_OEJ_601.sdf,True
TYMS,6ojv,A,2XB,601,Nc1nc(O)c2c(Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2n1,0.633,/app/jobs/e5bc5765/WAR_PDB/TYMS/6ojv_A_2XB.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6ojv_A_2XB_601.sdf,True
TYMS,6ojv,B,2XB,601,Nc1nc(O)c2c(Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2n1,0.633,/app/jobs/e5bc5765/WAR_PDB/TYMS/6ojv_B_2XB.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6ojv_B_2XB_601.sdf,True
TYMS,6ojv,D,2XB,601,Nc1nc(O)c2c(Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2n1,0.633,/app/jobs/e5bc5765/WAR_PDB/TYMS/6ojv_D_2XB.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6ojv_D_2XB_601.sdf,True
TYMS,6gko,A,FGT,502,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0.625,/app/jobs/e5bc5765/WAR_PDB/TYMS/6gko_A_FGT.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6gko_A_FGT_502.sdf,True
TYMS,4g6w,X,PBX,600,Oc1ccc(Br)c(O)c1O,0.6,/app/jobs/e5bc5765/WAR_PDB/TYMS/4g6w_X_PBX.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/4g6w_X_PBX_600.sdf,True
TYMS,5x69,A,7ZC,401,COc1ccc2[nH]cc(CN(C)C)c2c1,0.6,/app/jobs/e5bc5765/WAR_PDB/TYMS/5x69_A_7ZC.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/5x69_A_7ZC_401.sdf,True
TYMS,6oju,A,D96,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,0.6,/app/jobs/e5bc5765/WAR_PDB/TYMS/6oju_A_D96.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6oju_A_D96_601.sdf,True
TYMS,6oju,C,D96,601,Nc1nc2[nH]cc(Cc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,0.6,/app/jobs/e5bc5765/WAR_PDB/TYMS/6oju_C_D96.pdb,/app/jobs/e5bc5765/TARGET_RESULTS/MCS_Output/MCS_SDF/6oju_C_D96_601.sdf,True
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