Target,pdb_id,Chain,Warhead,Residue_ID,SMILES,%Exposed,pdb_path,sdf_path,sdf_available
NUDT5,5qj4,A,K04,303,C[C@H]1CCO[C@@H]1C(=O)Nc1cnns1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj4_A_K04.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj4_A_K04_303.sdf,True
NUDT5,5qj4,B,K04,305,C[C@H]1CCO[C@@H]1C(=O)Nc1cnns1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj4_B_K04.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj4_B_K04_305.sdf,True
NUDT5,5qj5,B,K0G,304,O=C(Nc1ccccc1)Nc1cccnc1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj5_B_K0G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj5_B_K0G_304.sdf,True
NUDT5,5qj5,C,K0G,304,O=C(Nc1ccccc1)Nc1cccnc1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj5_C_K0G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj5_C_K0G_304.sdf,True
NUDT5,5qj5,D,K0G,303,O=C(Nc1ccccc1)Nc1cccnc1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj5_D_K0G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj5_D_K0G_303.sdf,True
NUDT5,5qjc,A,K0J,303,CCNC(=O)c1c[nH]nn1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjc_A_K0J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjc_A_K0J_303.sdf,True
NUDT5,5qjc,C,K0J,304,CCNC(=O)c1c[nH]nn1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjc_C_K0J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjc_C_K0J_304.sdf,True
NUDT5,5qjd,C,K0M,304,Cc1cc(C(=O)Nc2ccn(C)n2)on1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjd_C_K0M.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjd_C_K0M_304.sdf,True
NUDT5,5qje,D,K0P,303,CCn1cc(CNC(=O)c2cccnc2)cn1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qje_D_K0P.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qje_D_K0P_303.sdf,True
NUDT5,5qjh,A,K0Y,304,COC(=O)CNC(=O)c1cc(C)on1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjh_A_K0Y.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjh_A_K0Y_304.sdf,True
NUDT5,5qjl,B,JJM,304,Cc1cccc(Nc2ncnc3c2cnn3C)c1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjl_B_JJM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjl_B_JJM_304.sdf,True
NUDT5,5qjl,C,JJM,304,Cc1cccc(Nc2ncnc3c2cnn3C)c1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjl_C_JJM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjl_C_JJM_304.sdf,True
NUDT5,5qjl,D,JJM,303,Cc1cccc(Nc2ncnc3c2cnn3C)c1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjl_D_JJM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjl_D_JJM_303.sdf,True
NUDT5,5qjm,D,K1G,303,CC(C)N(C)c1ncnc2c1cnn2C,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjm_D_K1G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjm_D_K1G_303.sdf,True
NUDT5,5qjo,A,K41,304,CC(C)C(=O)Nc1nnn(C)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjo_A_K41.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjo_A_K41_304.sdf,True
NUDT5,5qjo,B,K41,304,CC(C)C(=O)Nc1nnn(C)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjo_B_K41.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjo_B_K41_304.sdf,True
NUDT5,5qjo,D,K41,303,CC(C)C(=O)Nc1nnn(C)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjo_D_K41.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjo_D_K41_303.sdf,True
NUDT5,5qjp,D,K1P,303,Cc1nsc(N2CCCNCC2)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjp_D_K1P.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjp_D_K1P_303.sdf,True
NUDT5,5qjs,A,K1Y,304,COC(=O)Nc1sc(C)nc1-c1ccccc1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjs_A_K1Y.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjs_A_K1Y_304.sdf,True
NUDT5,5qjt,A,K24,303,CNC(=O)c1cnc(C)s1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjt_A_K24.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjt_A_K24_303.sdf,True
NUDT5,5qjt,D,K24,303,CNC(=O)c1cnc(C)s1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjt_D_K24.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjt_D_K24_303.sdf,True
NUDT5,5qju,D,K2G,303,CC(C)c1ncc(Cl)c(C(N)=O)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qju_D_K2G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qju_D_K2G_303.sdf,True
NUDT5,5qjv,A,K2J,304,CNc1nccc(OC)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjv_A_K2J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjv_A_K2J_304.sdf,True
NUDT5,5qjv,D,K2J,303,CNc1nccc(OC)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjv_D_K2J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjv_D_K2J_303.sdf,True
NUDT5,5qk1,A,K34,304,c1n[nH]c(-c2nccs2)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk1_A_K34.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk1_A_K34_304.sdf,True
NUDT5,5qk1,D,K34,303,c1n[nH]c(-c2nccs2)n1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk1_D_K34.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk1_D_K34_303.sdf,True
NUDT5,5qk5,A,K3J,304,CCNc1ccc(C)nn1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk5_A_K3J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk5_A_K3J_304.sdf,True
NUDT5,5qk5,C,K3J,304,CCNc1ccc(C)nn1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk5_C_K3J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk5_C_K3J_304.sdf,True
NUDT5,5qk6,A,K3M,303,Cc1ccc(C(N)=O)c(F)c1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk6_A_K3M.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk6_A_K3M_303.sdf,True
NUDT5,5qk8,A,K3S,304,CCNCc1cn(C)nn1,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk8_A_K3S.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk8_A_K3S_304.sdf,True
NUDT5,5qk9,A,K3V,303,COc1ccc2cn[nH]c(=O)c2c1OC,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk9_A_K3V.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk9_A_K3V_303.sdf,True
NUDT5,5qk9,C,K3V,304,COc1ccc2cn[nH]c(=O)c2c1OC,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk9_C_K3V.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk9_C_K3V_304.sdf,True
NUDT5,5qtm,A,PWA,304,O=c1[nH]cnc2cc(F)ccc12,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtm_A_PWA.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtm_A_PWA_304.sdf,True
NUDT5,5qtm,D,PWA,501,O=c1[nH]cnc2cc(F)ccc12,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtm_D_PWA.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtm_D_PWA_501.sdf,True
NUDT5,5qtq,A,PWM,303,O=c1[nH]cnc2cccc(F)c12,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtq_A_PWM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtq_A_PWM_303.sdf,True
NUDT5,5qtq,C,PWM,305,O=c1[nH]cnc2cccc(F)c12,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtq_C_PWM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtq_C_PWM_305.sdf,True
NUDT5,5qtq,D,PWM,501,O=c1[nH]cnc2cccc(F)c12,1.0,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtq_D_PWM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtq_D_PWM_501.sdf,True
NUDT5,3l85,A,8OG,1,Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1,0.973,/app/jobs/62174d5e/WAR_PDB/NUDT5/3l85_A_8OG.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/3l85_A_8OG_1.sdf,True
NUDT5,5qk7,B,K3P,304,Cn1cc(Oc2ncncc2Cl)cn1,0.964,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk7_B_K3P.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk7_B_K3P_304.sdf,True
NUDT5,5qk7,C,K3P,304,Cn1cc(Oc2ncncc2Cl)cn1,0.964,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk7_C_K3P.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk7_C_K3P_304.sdf,True
NUDT5,5qj7,A,JMM,303,O=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1,0.944,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj7_A_JMM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj7_A_JMM_303.sdf,True
NUDT5,5qj7,C,JMM,304,O=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1,0.944,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj7_C_JMM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj7_C_JMM_304.sdf,True
NUDT5,5qj7,D,JMM,303,O=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1,0.944,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj7_D_JMM.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj7_D_JMM_303.sdf,True
NUDT5,5qje,B,K0P,304,CCn1cc(CNC(=O)c2cccnc2)cn1,0.941,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qje_B_K0P.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qje_B_K0P_304.sdf,True
NUDT5,5qjg,C,K0V,304,COC(=O)C1CCN(C(=O)NC(C)(C)C)CC1,0.941,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjg_C_K0V.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjg_C_K0V_304.sdf,True
NUDT5,5qjg,D,K0V,303,COC(=O)C1CCN(C(=O)NC(C)(C)C)CC1,0.941,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjg_D_K0V.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjg_D_K0V_303.sdf,True
NUDT5,5qj5,A,K0G,304,O=C(Nc1ccccc1)Nc1cccnc1,0.938,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj5_A_K0G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj5_A_K0G_304.sdf,True
NUDT5,5qjw,A,K2M,304,NC(=O)N1CCN(C(=O)c2ccco2)CC1,0.938,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjw_A_K2M.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjw_A_K2M_304.sdf,True
NUDT5,5qto,C,PWG,304,FC(F)c1nnc2c(C(F)(F)F)cccn12,0.938,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qto_C_PWG.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qto_C_PWG_304.sdf,True
NUDT5,5qtp,A,PWJ,303,N#Cc1c(C(F)(F)F)cn2ccnc2c1Cl,0.938,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtp_A_PWJ.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtp_A_PWJ_303.sdf,True
NUDT5,5qtp,C,PWJ,306,N#Cc1c(C(F)(F)F)cn2ccnc2c1Cl,0.938,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qtp_C_PWJ.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qtp_C_PWJ_306.sdf,True
NUDT5,5qj9,A,K0D,304,C[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CO1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj9_A_K0D.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj9_A_K0D_304.sdf,True
NUDT5,5qj9,B,K0D,304,C[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CO1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj9_B_K0D.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj9_B_K0D_304.sdf,True
NUDT5,5qj9,C,K0D,304,C[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CO1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj9_C_K0D.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj9_C_K0D_304.sdf,True
NUDT5,5qjb,C,K07,304,CN(C[C@H]1CCOC1)c1ncncc1Cl,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjb_C_K07.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjb_C_K07_304.sdf,True
NUDT5,5qjd,A,K0M,304,Cc1cc(C(=O)Nc2ccn(C)n2)on1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjd_A_K0M.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjd_A_K0M_304.sdf,True
NUDT5,5qji,D,K1A,303,Cc1nn(Cc2c(C)noc2C)c(=O)s1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qji_D_K1A.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qji_D_K1A_303.sdf,True
NUDT5,5qjj,C,6SU,304,COC(=O)c1cccc(NS(C)(=O)=O)c1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjj_C_6SU.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjj_C_6SU_304.sdf,True
NUDT5,5qjj,D,6SU,303,COC(=O)c1cccc(NS(C)(=O)=O)c1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjj_D_6SU.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjj_D_6SU_303.sdf,True
NUDT5,5qjm,A,K1G,303,CC(C)N(C)c1ncnc2c1cnn2C,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjm_A_K1G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjm_A_K1G_303.sdf,True
NUDT5,5qjm,C,K1G,304,CC(C)N(C)c1ncnc2c1cnn2C,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjm_C_K1G.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjm_C_K1G_304.sdf,True
NUDT5,5qk9,B,K3V,305,COc1ccc2cn[nH]c(=O)c2c1OC,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk9_B_K3V.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk9_B_K3V_305.sdf,True
NUDT5,5qka,A,K3Y,304,Cn1cc(C(N)=O)c([C@@H]2CCCNC2)n1,0.933,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qka_A_K3Y.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qka_A_K3Y_304.sdf,True
NUDT5,5qj4,C,K04,304,C[C@H]1CCO[C@@H]1C(=O)Nc1cnns1,0.929,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qj4_C_K04.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qj4_C_K04_304.sdf,True
NUDT5,5qjn,B,K1J,304,Cc1nsc(N2CCO[C@@H](C)[C@H]2C)n1,0.929,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qjn_B_K1J.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qjn_B_K1J_304.sdf,True
NUDT5,5qk4,A,K3D,303,CCNC(=O)N1CCN(C(C)=O)CC1,0.929,/app/jobs/62174d5e/WAR_PDB/NUDT5/5qk4_A_K3D.pdb,/app/jobs/62174d5e/TARGET_RESULTS/MCS_Output/MCS_SDF/5qk4_A_K3D_303.sdf,True
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