Compound Name

SMILES String

Brc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Brc1cc(Br)cc(NC(=O)[C@H]2CSCCC(=O)N2)c1 |r|

Brc1cc(I)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Brc1ccc(NC(=O)c2ccccn2)cc1C#N

Brc1cccc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Brc1cccc(NC(=O)[C@H]2CSCCC(=O)N2)c1 |r|

Brc1ccccc1OCC(=O)c1ccc(NCCc2cccnc2)nc1

Brc1ccccc1OCC(=O)c1ccccn1

C(=C/c1ccnc(n1)-c1ccccc1)\c1ccccc1

C(CN1CCCC1)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

C(CN1CCCCC1)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

C(CN1CCOCC1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C(CN1CCOCC1)Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)CN1CCCC1

C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)CN1CCCCC1

C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)CN1CCOCC1

C(N1CCCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

C(N1CCCCC1)c1nsc2cc(Nc3n[nH]c4ncccc34)cnc12

C(N1CCOCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

C(N1CCOCC1)c1nsc2cc(Nc3n[nH]c4ncccc34)cnc12

C(Nc1n[nH]c2cccnc12)C1CCCCC1

C(Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCCCO1

C(Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCOC1

C(Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCOCC1

C(Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)[C@@H]1CCCO1 |r|

C(Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)[C@H]1CCCO1 |r|

C(Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)c1ccccc1

C(Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1CCCCO1

C(Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1CCOC1

C(Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1CCOCC1

C(Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)[C@@H]1CCCO1 |r|

C(Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)[C@H]1CCCO1 |r|

C(Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1CCCCO1

C(Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1CCOC1

C(Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1CCOCC1

C(Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)[C@@H]1CCCO1 |r|

C(Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)[C@H]1CCCO1 |r|

C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)c1ccccc1

C(Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCCCO1

C(Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCCOC1

C(Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCOC1

C(Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCOCC1

C(Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1COCCO1

C(Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1CCCCO1

C(Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1CCOC1

C(Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1CCOCC1

C(Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12)C1COCCO1

C(Oc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1CCCCO1

C(Oc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1CCOC1

C(Oc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1CCOCC1

C(Oc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12)C1COCCO1

C1CC(C1)Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC(C1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC(C1)c1noc2cc(Nc3n[nH]c4nccnc34)ccc12

C1CC(CCO1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC1c1n[nH]c2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC1c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC1c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

C1CC2(CN1c1nccc3cc(Nc4n[nH]c5cccnc45)ccc13)CCOCC2

C1CC2(CN1c1nccc3cc(Nc4n[nH]c5nccnc45)ccc13)CCOCC2

C1CC2CN(CC1O2)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CC2CN(CC1O2)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

C1CCC(C1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CCC(C1)c1noc2cc(Nc3n[nH]c4ncccc34)ccc12

C1CCC(C1)c1noc2cc(Nc3n[nH]c4nccnc34)ccc12

C1CCC(CC1)Nc1nc-2c(CCCc3[nH]ncc-23)s1

C1CCN(C1)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

C1CCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CCN(CC1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CN(CCN1c1ncccn1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1CN(CCO1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1COC[C@@H](C1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C1COC[C@H](C1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

C1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12 |r|

C1C[C@H](CO1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C1C[C@H](CO1)Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

C1C[C@H](CO1)Oc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12 |r|

C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1

C1Cc2[nH]ncc2-c2nc(Nc3cccnc3)sc2C1

C1Cc2[nH]ncc2-c2nc(Nc3ccn[nH]3)sc2C1

C1Cc2[nH]ncc2-c2nc(Nc3ccncn3)sc2C1

C1Cc2[nH]ncc2-c2nc(Nc3cnccn3)sc2C1

C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1

C1Cc2[nH]ncc2-c2nc(Nc3nccs3)sc2C1

C1Cc2nccc(-c3cnn(c3)-c3ccccc3)c2C1

C1Cc2sc(Nc3ccccc3)nc2-c2cn[nH]c12

C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12

C1Cc2sc(Nc3cccnc3)nc2-c2cn[nH]c12

C1Cc2sc(Nc3ccncc3)nc2-c2cn[nH]c12

C1Cc2sc(Nc3ncccn3)nc2-c2cn[nH]c12

C1OC2CC1N(C2)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

C1OC2CC1N(C2)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

C1OC2CC1N(C2)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CC(=O)N1CC(C1)Oc1ccc2oc(c\c(=N/O)c2c1)-c1cc2sccc2cn1

CC(=O)N1CCC(CC1)Oc1ccc2oc(c\c(=N/O)c2c1)-c1cc2cccn2cn1

CC(=O)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(=O)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4ncccc34)ccc12

CC(=O)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

CC(=O)N1CCC(COc2ccc3oc(c\c(=N/O)c3c2)-c2cc3sccc3cn2)CC1

CC(=O)N1CCCn2nc(COc3ccccc3)cc12

CC(=O)N1CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4ccccc34)ccc12

CC(=O)N1CCN(CCOc2ccc3c(ccnc3c2)-c2cnn(c2)-c2ccccc2)CC1

CC(=O)c1ccc(cc1)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CC(C)(C)C1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1

CC(C)(C)C1CCN(Cc2nsc3cc(Nc4n[nH]c5ncccc45)cnc23)CC1

CC(C)(C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)(C)Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)(C)Cc1noc2cc(Nc3n[nH]c4ncccc34)ccc12

CC(C)(C)Cc1noc2cc(Nc3n[nH]c4nccnc34)ccc12

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4ncccc34)ccc12

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4ncccc34)cnc12

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4nccnc34)cnc12

CC(C)(C)N1CC(=O)N(C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC(C)(C)OCCOc1nccc2cc(NC(=O)c3ccccn3)ccc12

CC(C)(C)OCCOc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC(C)(C)OCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12

CC(C)(C)Oc1ncc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CC(C)(C)c1cccc(Nc2n[nH]c3cccnc23)c1

CC(C)(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)(C)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CC(C)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CC(C)(N)CCP(O)(O)=O

CC(C)(O)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CC(C)(O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

CC(C)C(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)C1CCC(CC1)Nc1n[nH]c2cccnc12 |(-8.44,-4.69,;-7.97,-3.22,;-9,-2.08,;-6.46,-2.9,;-5.43,-4.05,;-3.92,-3.73,;-3.45,-2.26,;-4.48,-1.12,;-5.98,-1.44,;-1.94,-1.94,;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;)|

CC(C)CC1CN(C(=O)C1)c1ccc(NC(=O)c2ncccc2N)cc1Cl

CC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

CC(C)Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O

CC(C)N1C(=O)N(C(=O)C1(C)C)c1c(F)cc(cc1F)C#Cc1ccccc1

CC(C)N1C(=O)N(C(=O)C11COC1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC(C)N1C(C)C(=O)N(C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC(C)N1CC(=O)N(C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC(C)OCCOc1nccc2cc(NC(=O)c3ccccn3)ccc12

CC(C)OCCOc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC(C)Oc1cnc(nc1)N1CC(C1)NC(=O)c1ccc2nnc(C)c(C)c2c1

CC(C)Oc1ncc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CC(C)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)c1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1

CC(C)c1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1

CC(C)c1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(5.33,5.78,;6.67,5,;8,5.77,;6.67,3.46,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;4,5,;2.67,2.69,;1.33,3.46,;2.67,1.15,;1.33,.38,;1.33,-1.16,;,-1.93,;-1.33,-1.16,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.38,;4,-1.16,)|

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)C(C)c1ccccc1Cl

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)C(C)c1ccccc1F

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1F

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl

CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1F

CC(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(C)n1c2ccccc2c(=O)n(-c2c(F)cc(cc2C(F)(F)F)C#Cc2ccccc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;1.33,-1.15,;2.67,-1.93,;-0,-1.92,;-1.33,-1.15,;-1.33,.39,;-0,1.15,;-0,2.69,;-0,4.23,;-1.54,2.69,;-1.09,3.78,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-8,-3.46,;-8,-5,;-6.67,-5.77,;-5.33,-5,;2.67,2.7,;1.33,3.47,)|

CC(C)n1c2ccccc2c(=O)n(-c2c(F)cc(cc2Cl)C#Cc2cccnc2)c1=O |(5.33,5.78,;4,5,;2.67,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;2.67,-1.92,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-5.33,-5,;-6.67,-5.78,;-8,-5,;-8,-3.47,;-6.67,-2.69,;2.67,2.69,;1.33,3.47,)|

CC(C)n1c2ccccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(2.67,5.78,;4,5,;5.33,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|

CC(C)n1c2ccccc2c(=O)n(-c2ccc(cn2)C#Cc2ccccc2)c1=O

CC(C)n1c2ccccc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(2.67,5.78,;4,5,;5.33,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|

CC(C)n1c2cn(C)nc2c(=O)n(-c2c(F)cc(cc2Cl)C#Cc2cccnc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;2.05,-1.92,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-5.96,-5,;-7.29,-5.78,;-8.62,-5,;-8.62,-3.47,;-7.29,-2.69,;2.05,2.69,;.71,3.47,)|

CC(C)n1c2cn(C)nc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4.71,5.78,;3.38,5,;2.05,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;2.05,-1.93,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-7.29,-2.69,;-8.62,-3.47,;-8.62,-5,;-7.29,-5.78,;-5.96,-5,;2.05,2.69,;.71,3.47,)|

CC(C)n1c2cn(C)nc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2cccnc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;-.62,1.15,;-.62,2.69,;-1.95,.38,;-1.95,-1.15,;-.62,-1.93,;.71,-1.15,;2.05,-1.92,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-5.96,-5,;-7.29,-5.78,;-8.62,-5,;-8.62,-3.47,;-7.29,-2.69,;2.05,2.69,;.71,3.47,)|

CC(C)n1c2cn(C)nc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(2.05,5.77,;3.38,5,;4.71,5.77,;3.38,3.46,;4.71,2.7,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.16,;3.38,.39,;3.38,-1.15,;2.05,1.16,;.71,.39,;.71,-1.15,;-.62,-1.92,;-1.96,-1.15,;-1.96,.39,;-.62,1.15,;-.62,2.69,;-3.29,-1.92,;-4.62,-2.69,;-5.96,-3.46,;-7.29,-2.69,;-8.62,-3.46,;-8.62,-5,;-7.29,-5.77,;-5.96,-5,;2.05,2.7,;.71,3.47,)|

CC(C)n1c2cn(C)nc2c(=O)n(-c2ncc(cc2Cl)C#Cc2cccnc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-5.96,-5,;-7.29,-5.78,;-8.62,-5,;-8.62,-3.47,;-7.29,-2.69,;2.05,2.69,;.71,3.47,)|

CC(C)n1c2cn(C)nc2c(=O)n(-c2ncc(cc2F)C#Cc2ccccc2)c1=O |(2.05,5.78,;3.38,5,;4.71,5.78,;3.38,3.47,;4.71,2.69,;6.18,3.17,;7.08,1.93,;8.62,1.93,;6.18,.68,;4.71,1.15,;3.38,.38,;3.38,-1.15,;2.05,1.15,;.71,.38,;.71,-1.15,;-.62,-1.93,;-1.95,-1.15,;-1.95,.38,;-.62,1.15,;-.62,2.69,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-3.47,;-7.29,-2.69,;-8.62,-3.47,;-8.62,-5,;-7.29,-5.78,;-5.96,-5,;2.05,2.69,;.71,3.47,)|

CC(C)n1c2cnn(C)c2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.82,5.78,;4.15,5,;5.48,5.78,;4.15,3.47,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;7.72,-.65,;5.48,1.15,;4.15,.38,;4.15,-1.15,;2.82,1.15,;1.48,.38,;1.48,-1.15,;2.82,-1.93,;.15,-1.93,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;.15,2.69,;-2.52,-1.93,;-3.85,-2.69,;-5.19,-3.47,;-6.52,-2.69,;-7.85,-3.47,;-7.85,-5,;-6.52,-5.78,;-5.19,-5,;2.82,2.69,;1.48,3.47,)|

CC(C)n1c2n[nH]cc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.82,5.77,;4.15,5,;5.48,5.77,;4.15,3.46,;5.48,2.7,;6.95,3.17,;7.85,1.93,;6.95,.68,;5.48,1.16,;4.15,.39,;4.15,-1.15,;2.82,1.16,;1.48,.39,;.15,1.15,;.15,2.69,;-1.19,.39,;-1.19,-1.15,;.15,-1.92,;1.48,-1.15,;2.82,-1.93,;-2.52,-1.92,;-3.85,-2.69,;-5.19,-3.46,;-6.52,-2.69,;-7.85,-3.46,;-7.85,-5,;-6.52,-5.77,;-5.19,-5,;2.82,2.7,;1.48,3.47,)|

CC(C)n1c2ncccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.67,5.78,;4,5,;5.33,5.78,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;2.67,-1.93,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|

CC(C)n1c2nccnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;-0,1.15,;-0,2.69,;-1.33,.39,;-1.33,-1.15,;-0,-1.92,;1.33,-1.15,;2.67,-1.93,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-8,-3.46,;-8,-5,;-6.67,-5.77,;-5.33,-5,;2.67,2.7,;1.33,3.47,)|

CC(C)n1c2nccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;1.33,-1.15,;-0,-1.92,;-1.33,-1.15,;-1.33,.39,;-0,1.15,;-0,2.69,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-6.67,-2.69,;-8,-3.46,;-8,-5,;-6.67,-5.77,;-5.33,-5,;2.67,2.7,;1.33,3.47,)|

CC(C)n1c2nccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2cccnc2)c1=O |(2.67,5.77,;4,5,;5.33,5.77,;4,3.46,;5.33,2.7,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;4,.39,;4,-1.15,;2.67,1.16,;1.33,.39,;1.33,-1.15,;-0,-1.92,;-1.33,-1.15,;-1.33,.39,;-0,1.15,;-0,2.69,;-2.67,-1.92,;-4,-2.69,;-5.33,-3.46,;-5.33,-5,;-6.67,-5.77,;-8,-5,;-8,-3.46,;-6.67,-2.69,;2.67,2.7,;1.33,3.47,)|

CC(C)n1c2nsnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(5.48,5.78,;4.15,5,;2.82,5.78,;4.15,3.47,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;5.48,1.15,;4.15,.38,;4.15,-1.15,;2.82,1.15,;1.48,.38,;1.48,-1.15,;2.82,-1.93,;.15,-1.93,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;.15,2.69,;-2.52,-1.93,;-3.85,-2.69,;-5.19,-3.47,;-6.52,-2.69,;-7.85,-3.47,;-7.85,-5,;-6.52,-5.78,;-5.19,-5,;2.82,2.69,;1.48,3.47,)|

CC(C)n1cc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CC(C)n1nc(C)c2ccc(Nc3n[nH]c4cccnc34)cc12

CC(C1Nc2ccccc2C(=O)N1c1ccc(C)cc1)c1ccccc1

CC(C1Nc2ccccc2C(=O)N1c1cccc(F)c1)c1ccccc1

CC(CP(O)(=O)CC[C@H](N)C(O)=O)C(O)=O |r|

CC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CC(F)(F)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

CC(N)(C(O)=O)c1ccc(cc1)C(O)=O

CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O

CC(N)(C(O)=O)c1ccc(cc1)S(O)(=O)=O

CC(N)(CCP(O)(O)=O)C(O)=O

CC(Oc1ccc(cc1)C(O)P(O)(=O)CC[C@@H](N)C(O)=O)C(O)=O |r|

CC(c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

CC(c1ccccc1Cl)S(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C

CC(c1ccccc1F)S(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C

CC(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F

CC1(C)CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl

CC1(C)CC(CCO1)Nc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ccc(F)cn3)cc(F)c12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ccccn3)cc(F)c12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ccccn3)ccc12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ncc(F)cc3F)cc(F)c12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ncccc3F)cc(F)c12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ncccc3N)cc(F)c12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC1(C)CC(CCO1)Oc1nccc2cc(NC(=O)c3ncccc3O)ccc12

CC1(C)CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1

CC1(C)CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CO1

CC1(C)CC(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1

CC1(C)CC(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CO1

CC1(C)CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)C(C)(C)O1

CC1(C)CCc2ccc(cc2O1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

CC1(C)CN(C(=O)C1)c1ccc(NC(=O)c2ncccc2N)cc1Cl

CC1(C)CN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CCO1

CC1(C)COCCC1Nc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC1(C)N(C(=O)N(C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1)c1ccccc1

CC1(C)c2c1c(O)n(c2O)-c1ccc(NC(=O)c2ccccn2)cc1Cl |(19.1,-1.33,;18.33,,;19.1,1.33,;17,.77,;17,-.77,;15.54,-1.25,;15.06,-2.71,;14.63,,;15.54,1.25,;15.06,2.71,;13.09,,;12.32,-1.33,;10.78,-1.33,;10.01,,;8.47,,;7.7,-1.33,;8.47,-2.67,;6.16,-1.33,;5.39,,;3.85,,;3.08,-1.33,;3.85,-2.67,;5.39,-2.67,;10.78,1.33,;12.32,1.33,;13.09,2.67,)|

CC1(CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1

CC1(CN(C(=O)C1)c1ccc(NC(=O)c2ncccc2N)cc1Cl)C1CC1

CC1(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCOCC1

CC1(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCOCC1

CC1(COc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCOCC1

CC1(CP(O)(O)=O)CC1(N)C(O)=O

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ccc(Cl)nc1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ccccn1)c1c(F)cc(cc1Cl)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ccccn1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1Cl)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1ccc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnn1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ccnc(Cl)c1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ccncc1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ccncn1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1cnccn1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1cncnc1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(C2=O)c1ncccn1)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(Cc1cccc(Cl)c1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(Cc1ccccc1Cl)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(Cc1ccccn1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(Cc1cccnc1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(Cc1ccncc1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(Cc1ccncn1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(c1nc(cs1)C#N)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(c1nc(cs1)C(F)(F)F)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(c1ncc(s1)C(F)(F)F)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC12CC(=O)N(C(=O)N1CCN(c1nccs1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC1=NOCC1(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F |t:1|

CC1CC(C)CN(C1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC1CC(CCO1)Oc1nccc2cc(NC(=O)c3ccccn3)ccc12

CC1CC(CCO1)Oc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC1CC(CCO1)Oc1nccc2cc(NC(=O)c3ncccc3O)ccc12

CC1CC(CCO1)Oc1nn(C)c2cc(NC(=O)c3ccccn3)ccc12

CC1CC(CCO1)Oc1nn(C)c2cc(NC(=O)c3ncccc3N)ccc12

CC1CC(CCO1)Oc1nn(C)c2cc(NC(=O)c3ncccc3O)ccc12

CC1CC(CCO1)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CC1CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1

CC1CC(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1

CC1CC(COc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1

CC1CC(COc2nn(C)c3cc(NC(=O)c4ccc(F)cn4)ccc23)CC(C)O1

CC1CC(COc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)CC(C)O1

CC1CC(COc2nn(C)c3cc(NC(=O)c4ncccc4N)ccc23)CC(C)O1

CC1CCCC2N1C(=O)N(C2=O)c1c(F)cc(cc1Cl)C#Cc1cccnc1

CC1CCCC2N1C(=O)N(C2=O)c1ccc(cc1Cl)C#Cc1ccccc1

CC1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC1CCCN(C1)c1ncnc2n(ncc12)-c1cc(C)cc(C)c1

CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(C)cc1C

CC1CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1

CC1CCN(CC1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CC1CN(CC(C)O1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CC1COCC1COc1nccc2cc(NC(=O)c3ccccn3)ccc12

CC1COCC1COc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CC1COCC2N1C(=O)N(C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

CC1N(C(=O)c2ccccc12)c1ccc(NC(=O)c2ncccc2N)cc1Cl

CC1Oc2ccc(Nc3n[nH]c4cccnc34)cc2N(C)C1=O

CCC(C)c1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

CCC(CC)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

CCC(CC)c1noc2cc(Nc3n[nH]c4ncccc34)ccc12

CCC(CC)c1noc2cc(Nc3n[nH]c4nccnc34)ccc12

CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCN(C)C |c:6,10,t:2|

CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O

CCCC(C)c1noc2cc(Nc3n[nH]c4ncccc34)ccc12

CCCC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CCCC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CCCC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

CCCCCCCCNC(c1cccc(c1)[N+]([O-])=O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CCCCCCNC(c1cccc(c1)[N+]([O-])=O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

CCCCCc1c(cnn1O)C(N)C(O)=O |w:11.12|

CCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|

CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O

CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|

CCCCc1c(cnn1O)C(N)C(O)=O |w:10.11|

CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|

CCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CCC[C@H](C[C@H](N)C(O)=O)C(O)=O

CCCc1c(cnn1O)C(N)C(O)=O |w:9.10|

CCCc1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CCCc1nsc2cc(Nc3n[nH]c4ncccc34)ccc12

CCCc1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

CCN(CC)C(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

CCN(CC)c1nc(Cl)cc2cc(Nc3n[nH]c4cccnc34)ccc12

CCN(CC)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CCN1C(=O)N(C(=O)C[C@]11CCCc2ccncc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O

CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|

CCNC(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

CCNC(C(O)=O)c1cc(=O)[nH]o1

CCNc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

CCOC(=O)C(=O)Nc1nccc(\C=C\c2ccccc2)n1

CCOC(=O)C12CC1C(N=O)c1ccccc1O2

CCOC(=O)CCCN1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F

CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC

CCOCCOc1nccc2cc(NC(=O)c3ccccn3)ccc12

CCOCCOc1nccc2cc(NC(=O)c3ncccc3N)ccc12

CCOCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12

CCOCCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CCOCCOc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CCOCCOc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CCOc1cc(cc(c1O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CCOc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

CCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

CCOc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

CCOc1ncc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

CC[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CC[C@@]12CC(=O)N(C(=O)N1CCN(c1cnn(C)c1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CC[C@H](C[C@H](N)C(O)=O)C(O)=O

CCc1c(cnn1O)C(N)C(O)=O |w:8.9|

CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O

CCc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

CCc1cccc(Nc2n[nH]c3cccnc23)c1

CCc1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(8,5.78,;6.67,5,;6.67,3.46,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;4,5,;2.67,2.69,;1.33,3.46,;2.67,1.15,;1.33,.38,;1.33,-1.16,;,-1.93,;-1.33,-1.16,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.38,;4,-1.16,)|

CCc1cnc(Oc2ccc(NC(=O)c3ccncc3N)cc2Cl)nc1

CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1

CCc1cnc(Oc2ccc(NC(=O)c3nccnc3N)cc2Cl)nc1

CCc1nc(Cl)cc2cc(Nc3n[nH]c4cccnc34)ccc12

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(C)cc(C)cc1C

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(Cl)cccc1Cl

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1Cl

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C)cc1

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F

CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1F

CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1

CCc1ncc(F)c2cc(Nc3n[nH]c4cccnc34)ccc12

CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CCc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CCc1nn2c(cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F)C(F)(F)F |(25.69,-48.74,;24.92,-50.08,;23.38,-50.09,;22.48,-48.85,;21.02,-49.33,;19.69,-48.56,;18.36,-49.33,;18.36,-50.87,;17.03,-51.64,;19.69,-51.64,;21.03,-50.86,;22.49,-51.33,;22.97,-52.79,;21.94,-53.94,;22.43,-55.4,;21.4,-56.55,;23.94,-55.71,;24.42,-57.17,;23.4,-58.33,;23.88,-59.79,;21.89,-58.02,;24.96,-54.56,;24.47,-53.1,;25.5,-51.95,;19.69,-47.02,;21.03,-46.24,;18.36,-46.24,;19.68,-45.48,)|

CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12

CCc1noc2ccc(Nc3n[nH]c4ncccc34)cc12

CCc1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

CCc1nsc2cc(Nc3n[nH]c4ncccc34)ccc12

CCc1nsc2cc(Nc3n[nH]c4ncccc34)cnc12

CCn1c2ccccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(5.33,5.78,;4,5,;4,3.47,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;5.33,1.15,;4,.38,;4,-1.15,;2.67,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;,2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-3.47,;-6.67,-2.69,;-8,-3.47,;-8,-5,;-6.67,-5.78,;-5.33,-5,;2.67,2.69,;1.33,3.47,)|

CCn1cc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CCn1cc2c(CCC[C@]22CC(=O)N(C(=O)N2C)c2c(F)cc(cc2F)C#Cc2ccccc2)n1 |r|

CCn1nc(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CCn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

CCn1nc(Cl)c2cc(Nc3n[nH]c4cccnc34)ccc12

CCn1ncc2c1CCC[C@]21CC(=O)N(C(=O)N1C)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN(C)C(=O)COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

CN(C)C(=O)N1CC(C1)Oc1ccc2oc(c\c(=N/O)c2c1)-c1cc2cccn2cn1

CN(C)C(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

CN(C)C1CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3cccn3cn2)CC1

CN(C)CCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

CN(C)CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(C)CCOc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CN(C)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

CN(C)c1nccc(\C=C\c2ccccc2)n1

CN(C1CC(F)(F)C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(C1CC(F)(F)C1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(C1CC(F)(F)C1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CN(CC(F)(F)F)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(CC(F)(F)F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(CC(F)(F)F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CN(CC1CCCO1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(CC1CCCO1)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CN(CCN1CCOCC1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN(CCN1CCOCC1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

CN(CCN1CCOCC1)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

CN(Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12)C1CC(F)(F)C1

CN(Cc1nsc2cc(Nc3n[nH]c4ncccc34)cnc12)C1CC(F)(F)C1

CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|

CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2ccncn2)cc1

CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1

CN(c1n[nH]c2cccnc12)c1cccc(Cl)c1

CN1C(=O)COc2cc(Nc3n[nH]c4cccnc34)ccc12

CN1C(=O)COc2ccc(Nc3n[nH]c4cccnc34)cc12

CN1C(=O)N(C(=O)C[C@]11CCCCc2[nH]ncc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCCc2c1cnn2C)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCCc2nn(C)cc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2[nH]ncc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2c1ccn2C)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2ccncc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2cnccc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2ncccc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2ncncc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCCc2nn(C)cc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCOc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCOc2ncccc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1 |r|

CN1C(=O)N(C(=O)C[C@]11CCc2ncccc12)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CN1C(=O)N(C(=O)C[C@]11COCc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1 |r|

CN1C(C(=O)N(C1=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl)C(C)(C)C

CN1CCC(CC1)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CN1CCC2(CCN(CC2)C(=O)c2nsc3cc(Nc4n[nH]c5nccnc45)ccc23)C1=O

CN1CCCC11CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3sccc3cn2)CC1

CN1CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN1CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

CN1CCN(CC1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

CN1CCN(CC1=O)C(=O)c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

CN1CCN(CCCNc2ccc3oc(c\c(=N/O)c3c2)-c2cc3ccccc3cn2)CC1

CN1CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3ccccc3cn2)CC1

CN1CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3cccn3cn2)CC1

CN1CCc2nc(COc3ccccc3)sc2C1=O

CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O

CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|

CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|

CNC(C(O)=O)c1cc(=O)[nH]o1

CNC(C)Cc1ccc2OCOc2c1

CNc1ncc(Nc2n[nH]c3cccnc23)cc1Cl

CNc1ncc(cn1)C#Cc1ccccc1

CNc1nccc(\C=C\c2ccccc2)n1

COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|

COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|

COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C

COC(=O)c1ccc(cc1)N1C(Nc2ccccc2C1=O)C(C)c1ccccc1

COC(=O)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

COC1CC(C1)Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |(8.85,1.02,;8.08,-.32,;6.54,-.32,;5.45,-1.41,;4.36,-.32,;5.45,.77,;2.82,-.32,;1.79,-1.46,;2.26,-2.93,;1.23,-4.07,;-.27,-3.75,;-.75,-2.29,;-2.26,-1.97,;-2.73,-.5,;-4.24,-.18,;-4.71,1.28,;-3.81,2.53,;-4.71,3.78,;-6.18,3.3,;-7.51,4.07,;-8.85,3.3,;-8.85,1.76,;-7.51,.99,;-6.18,1.76,;-1.7,.64,;-.19,.32,;.28,-1.14,)|

COC1CC(C1)Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |(8.78,1.54,;7.44,2.31,;6.11,1.54,;5.71,.05,;4.22,.45,;4.62,1.94,;2.89,-.32,;1.86,-1.46,;2.33,-2.93,;1.3,-4.07,;-.2,-3.75,;-.68,-2.29,;-2.19,-1.97,;-2.66,-.5,;-4.17,-.18,;-4.64,1.28,;-3.74,2.53,;-4.64,3.78,;-6.11,3.3,;-7.44,4.07,;-8.78,3.3,;-8.78,1.76,;-7.44,.99,;-6.11,1.76,;-1.63,.64,;-.12,.32,;.35,-1.14,)|

COCC12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1F)C#Cc1ccccc1

COCC12CC(=O)N(C(=O)N1CCN(c1cnn(C)c1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1

COCCCN1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COCCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

COCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

COCCCn1cc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COCCN(C)c1nc(Cl)cc2cc(Nc3n[nH]c4cccnc34)ccc12

COCCN(C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

COCCN(C)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

COCCN(C)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

COCCN1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1

COCCNc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

COCCNc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

COCCNc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

COCCOc1ccc2c(c1)oc(c\c2=N/O)-c1cc2ccccc2cn1

COCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

COCCOc1ccc2oc(c\c(=N/O)c2c1)-c1cc2ccccc2cn1

COCCOc1ccc2oc(c\c(=N/O)c2c1)-c1cc2cccn2cn1

COCCOc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

COCCOc1nccc2cc(NC(=O)c3ccccn3)ccc12

COCCOc1nccc2cc(NC(=O)c3ncccc3N)ccc12

COCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12

COCCOc1nccc2cc(Nc3n[nH]c4cc(F)cnc34)ccc12

COCCOc1nccc2cc(Nc3n[nH]c4ccccc34)ccc12

COCCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

COCCOc1nccc2cc(Nc3n[nH]c4ncc(F)cc34)ccc12

COCCOc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

COCCOc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

COCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

COCCOc1nn(C)c2cc(Nc3n[nH]c4ncccc34)ccc12

COCCn1c2ccccc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(6.67,6.93,;5.33,6.16,;5.33,4.62,;4,3.85,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;6.67,-.77,;5.33,,;4,-.77,;4,-2.31,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;,1.54,;-2.67,-3.08,;-4,-3.85,;-5.33,-4.62,;-6.67,-3.85,;-8,-4.62,;-8,-6.16,;-6.67,-6.93,;-5.33,-6.16,;2.67,1.54,;1.33,2.31,)|

COC[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COC[C@@]12CC(=O)N(C(=O)N1CCN(c1cnn(C)c1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

CO[C@@H](C)COc1nccc2cc(NC(=O)c3ccccn3)ccc12 |r|

CO[C@@H](C)COc1nccc2cc(NC(=O)c3ncccc3N)ccc12 |r|

CO[C@@H](C)COc1nccc2cc(NC(=O)c3ncccc3O)ccc12 |r|

CO[C@H](C)COc1nccc2cc(NC(=O)c3ccccn3)ccc12 |r|

CO[C@H](C)COc1nccc2cc(NC(=O)c3ncccc3N)ccc12 |r|

CO[C@H](C)COc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

CO[C@H](C)COc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

CO[C@H](C)COc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12 |r|

COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(Cl)c1OCC(O)=O |r|

COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(F)c1OCC(O)=O |r|

COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)ccc1OCC(O)=O |r|

COc1cc(CP(O)(=O)CC[C@H](N)C(O)=O)cc(c1O)[N+]([O-])=O |r|

COc1cc(F)c(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1 |(75.94,-28.33,;76.96,-27.18,;76.48,-25.72,;74.97,-25.41,;74.49,-23.95,;72.98,-23.63,;75.51,-22.79,;75.03,-21.33,;75.93,-20.09,;77.47,-20.08,;75.01,-18.86,;73.56,-19.33,;72.23,-18.56,;70.9,-19.33,;70.9,-20.87,;69.56,-21.65,;72.23,-21.64,;73.57,-20.87,;72.23,-17.02,;73.56,-16.25,;70.89,-16.25,;72.21,-15.48,;77.01,-23.11,;78.04,-21.95,;77.51,-24.56,)|

COc1cc(F)c(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F |(37.17,-44.14,;38.18,-42.98,;37.7,-41.52,;38.73,-40.37,;38.23,-38.91,;39.26,-37.76,;36.73,-38.6,;35.71,-39.75,;36.19,-41.21,;35.16,-42.36,;36.25,-37.14,;37.15,-35.9,;38.69,-35.89,;36.24,-34.66,;34.78,-35.14,;33.45,-34.37,;32.12,-35.14,;32.12,-36.68,;30.79,-37.46,;33.45,-37.45,;34.79,-36.67,;33.45,-32.83,;34.79,-32.05,;32.12,-32.05,;33.44,-31.28,)|

COc1cc(N2CC(C2)NC(=O)c2ccc3nnc(C)c(C)c3c2)c(Cl)cn1

COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)C2CCCO2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl

COc1cc(NC(=O)c2cccc(F)n2)ccc1F

COc1cc(NC(=O)c2ccccn2)ccc1Br

COc1cc(NC(=O)c2ccccn2)ccc1C

COc1cc(NC(=O)c2ccccn2)ccc1Cl

COc1cc(NC(=O)c2ccccn2)ccc1F

COc1cc(NC(=O)c2ccccn2)ccc1I

COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2ccccn2)ncn1

COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2cnccn2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl

COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O

COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O

COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O

COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O

COc1cc(Nc2n[nH]c3cccnc23)ccc1Cl

COc1cc(Nc2n[nH]c3cccnc23)ccc1F

COc1cc(\C=C\c2ccccc2)nc(N)n1

COc1cc(cc(Cl)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

COc1cc(cc(F)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

COc1cc(cc(I)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

COc1cc(cc(OC)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O |r|

COc1cc(cc(c1O)[N+]([O-])=O)C(N)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1cc(cc(c1O)[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1cc(cc(c1O)[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1cc(cc(c1OCC(O)=O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O

COc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1

COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|

COc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1

COc1ccc(NC(=O)c2ccccn2)cc1Cl

COc1ccc(NC(=O)c2ccccn2)cc1OC

COc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

COc1ccc(Nc2n[nH]c3cccnc23)cc1OC(F)F

COc1ccc(cc1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F

COc1ccc(cc1)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O

COc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

COc1ccc(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F

COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1

COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1

COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1

COc1ccc(cc1[N+]([O-])=O)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1ccc(cc1[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1ccc(cc1[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O |r|

COc1ccc(cn1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

COc1ccc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COc1ccc(cn1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

COc1ccc2CN(C(=O)c2c1)c1ccc(NC(=O)c2ncccc2N)cc1Cl

COc1ccc2c(c1)oc(c\c2=N/O)-c1cc2ccccc2cn1

COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

COc1ccc2oc(c\c(=N/O)c2c1)-c1cc2ccccc2cn1

COc1cccc(NC(=O)c2ccccn2)c1

COc1cccc(Nc2n[nH]c3cccnc23)c1

COc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

COc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(8,5.78,;6.67,5.01,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;5.33,2.7,;4,3.46,;4,5,;2.67,2.7,;1.33,3.47,;2.67,1.16,;1.33,.38,;-0,1.15,;-0,2.69,;-1.33,.38,;-1.33,-1.16,;-0,-1.92,;1.33,-1.16,;2.67,-1.93,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.39,;4,-1.15,)|

COc1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(8,5.78,;6.67,5.01,;6.67,3.47,;8,2.7,;8,1.16,;6.67,.39,;5.33,1.16,;5.33,2.7,;4,3.46,;4,5,;2.67,2.7,;1.33,3.47,;2.67,1.16,;1.33,.38,;1.33,-1.16,;-0,-1.92,;-1.33,-1.16,;-1.33,.38,;-0,1.15,;-0,2.69,;-2.67,-1.93,;-4,-2.7,;-5.33,-3.47,;-6.67,-2.7,;-8,-3.47,;-8,-5.01,;-6.67,-5.78,;-5.33,-5.01,;4,.39,;4,-1.15,)|

COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc12

COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1OC

COc1ccnc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

COc1cnc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COc1nc(NC(=O)c2ccccn2)ccc1Cl

COc1ncc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)cc(Cl)c12

COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

CP(O)(=O)CC[C@H](N)C(O)=O

CS(=O)(=O)C1CCN(C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CS(=O)(=O)CCCNC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CS(=O)(=O)CCNC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

CS(=O)(=O)Nc1nccc(\C=C\c2ccccc2)n1

CS(=O)(=O)c1cc(Nc2n[nH]c3cccnc23)ccc1F

CS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl

CS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1F

CS(=O)(=O)c1ccc(cc1)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|

CSc1cccc(NC(=O)c2ccccn2)c1

C[C@@H](C[C@@H](N)C(O)=O)C(O)=O

C[C@@H](C[C@H](N)C(O)=O)C(O)=O

C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|

C[C@@H]1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C[C@@H]1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccc(Cl)nc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccccn1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnc1)c1c(F)cc(cc1F)C#Cc1ccccc1F |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cccnn1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccnc(Cl)c1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccncc1)c1c(F)cc(cc1Cl)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccncc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccncn1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccncn1)c1c(F)cc(cc1F)C#Cc1ccccc1F |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1ccnnc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cnc(O)nc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cnc(OC2CC2)nc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cnc(OCc2ccccc2)cn1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cnc(OCc2ccccc2)nc1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)c1cnccn1)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(CC(F)(F)F)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(CCn1ccnc1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(Cc1ccc(F)cc1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(Cc1cccc(F)c1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(Cc1ccccc1F)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@@]12CC(=O)N(C(=O)N1CCN(c1cn[nH]c1)C2=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O

C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1 |r|

C[C@H]1CN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CCO1 |r|

C[C@H]1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C[C@H]1C[C@@H](CO1)Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

C[C@H]1OCC[C@H]1Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

C[C@H]1OCC[C@H]1Oc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O

C[C@](N)(Cn1oc(=O)[nH]c1=O)C(O)=O

C[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O

Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1

Cc1[nH]ncc1-c1nc(Nc2ccccn2)sc1C

Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|

Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|

Cc1c(cnn1-c1ccccc1)-c1ccnc2ccccc12

Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1

Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1

Cc1cc(C)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Cc1cc(C)cc(Nc2n[nH]c3cccnc23)c1

Cc1cc(C)n(n1)-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1cc(C)nc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)c1

Cc1cc(C)nc(Nc2nc-3c(CCc4[nH]ncc-34)s2)c1

Cc1cc(CCCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3cccn3cn2)ccn1

Cc1cc(COc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)no1

Cc1cc(COc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)on1

Cc1cc(Cl)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Cc1cc(F)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccc(Cl)o1 |t:7|

Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccco1 |t:7|

Cc1cc(N2CCN3C(=O)N(C(=O)CC3(C)C2=O)c2c(F)cc(cc2F)C#Cc2ccccc2)n(C)n1

Cc1cc(NC(=O)Nc2n[nH]c3cccnc23)ccc1F

Cc1cc(NC(=O)c2ccco2)ccc1Br

Cc1cc(Nc2n[nH]c3cccnc23)cc2ccncc12

Cc1cc(Nc2n[nH]c3cccnc23)ccc1Cl

Cc1cc(Nc2n[nH]c3cccnc23)ccc1F

Cc1cc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)[nH]n1

Cc1cc(\C=C\c2ccccc2)nc(N)n1

Cc1cc(cc(C)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O |r|

Cc1cc(ccc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1cc(ccc1Cl)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Cc1cc(ccc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1cc(ccc1F)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Cc1cc(ccn1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cc(cnc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1cc(nc(C)n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cc(ncn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1ccc(CN2CCN3C(=O)N(C(=O)CC3(C)C2=O)c2c(F)cc(cc2F)C#Cc2ccccc2)cc1

Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O

Cc1ccc(Cl)cc1Nc1n[nH]c2cccnc12

Cc1ccc(F)c(Nc2n[nH]c3cccnc23)c1

Cc1ccc(NC(=O)Nc2n[nH]c3cccnc23)cc1C

Cc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

Cc1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)nc1

Cc1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)nn1

Cc1ccc(Nc2nc-3c(CCc4[nH]ncc-34)s2)nc1

Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|

Cc1ccc(\C=C\c2ccnc(N)n2)cc1

Cc1ccc(c(C)c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1

Cc1ccc(cc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O

Cc1ccc(cc1C)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1ccc(cc1C)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1

Cc1ccc(cc1C)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Cc1ccc(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1ccc(cc1[N+]([O-])=O)C(O)P(O)(=O)CC[C@H](N)C(O)=O |r|

Cc1ccc(cn1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1ccc(nc1)C(=O)Nc1ccc2c(OCC3CCOC3)nn(C)c2c1

Cc1ccc(nc1)C(=O)Nc1ccc2c(OCC3CCOCC3)nccc2c1

Cc1ccc(nn1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1ccc(o1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(NC(=O)c2nccn2C)cc1Cl

Cc1ccc2c(c1)n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(8.67,3.85,;7.33,3.08,;7.33,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.33,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.33,-5.39,;-6,-4.62,;3.33,.77,;3.33,-.77,)|

Cc1ccc2c(c1)n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(8.67,3.85,;7.34,3.08,;7.34,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.34,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.34,-5.39,;-6,-4.62,;3.33,.77,;3.33,-.77,)|

Cc1ccc2oc(c\c(=N/O)c2c1)-c1cc2ccccc2cn1

Cc1cccc(C)c1CN1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cccc(CN2CCN3C(=O)N(C(=O)CC3(C)C2=O)c2c(F)cc(cc2F)C#Cc2ccccc2)c1

Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1

Cc1cccc(Nc2n[nH]c3cccnc23)c1

Cc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

Cc1cccc(Nc2nc-3c(CCc4[nH]ncc-34)s2)n1

Cc1cccc(\C=C\c2ccccc2)n1

Cc1cccc(\C=C\c2ccnc(N)n2)c1

Cc1cccc(c1)C#Cc1ncccn1

Cc1cccc(c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1cccc(c1)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1

Cc1cccc(c1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Cc1cccc(n1)C#Cc1ccccc1

Cc1cccc(n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Br

Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl

Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2N)cc1Cl

Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2nccn2C)cc1Cl

Cc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1Cl)C#Cc1cccnc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;4,.77,;4,-.77,)|

Cc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|

Cc1cccc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1cccnc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,;4,.77,;4,-.77,)|

Cc1cccc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|

Cc1cccc2c1n(C)c(=O)n(-c1ncc(cc1Cl)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|

Cc1cccc2c1n(C)c(=O)n(-c1ncc(cc1F)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|

Cc1cccc2n(C)c(=O)n(-c3ccc(cc3Cl)C#Cc3ccccc3)c(=O)c12 |(6.67,-.77,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,;5.33,1.54,)|

Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

Cc1ccccc1CN1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1ccccc1\C=C\c1ccnc(N)n1

Cc1cccnc1Nc1nc-2c(CCCc3[nH]ncc-23)s1

Cc1ccn(n1)-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1ccnc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

Cc1ccnc(Nc2nc-3c(CCc4[nH]ncc-34)s2)c1

Cc1ccnc(c1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1ccnc(c1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1ccnc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;4,.77,;4,-.77,)|

Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccccc3C2=O)c(F)c1F

Cc1ccoc1C(=O)Nc1cc(C)c(cc1F)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1F

Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(F)c3C2=O)c(F)c1F

Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O |t:22|

Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2ccc(C)cc2C1=O

Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(Cl)c2C1=O

Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(F)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(c1)C(F)(F)F

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(c1)C(F)(F)F

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c2ccccc12

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(C)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(c1)C(F)(F)F

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C(F)(F)F

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1

Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(C)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(Cl)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(F)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1C(F)(F)F)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1C)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1Cl)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc(cn1)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(C)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(Cl)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(F)c2C1=O

Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Cc1ccoc1C(=O)Nc1ccc2c(OCC3CCOC3)nn(C)c2c1

Cc1ccoc1C(=O)Nc1ccc2c(OCC3CCOCC3)nccc2c1

Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(C)c2C1=O

Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(Cl)c2C1=O

Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(F)c2C1=O

Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2ccccc2C1=O

Cc1ccoc1C(=O)Nc1ncc(cn1)N1C(=O)c2ccccc2C1=O

Cc1cn(C)c(n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1

Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1

Cc1cnc(N)nc1\C=C\c1ccccc1

Cc1cnc(OCC2CCOC2)c2ccc(NC(=O)c3ncccc3O)cc12

Cc1cnc(s1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cncc(C)c1N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1cncc(Nc2n[nH]c3cccnc23)c1

Cc1cncc(c1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cncc(c1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1cncc(n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1cnccc1-c1cnn(c1)-c1ccccc1

Cc1cncnc1N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1csc(n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1csc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,)|

Cc1csc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1cccnc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-5.19,-4.62,;-6.52,-5.39,;-7.85,-4.62,;-7.85,-3.08,;-6.52,-2.31,;4.15,.77,;4.15,-.77,)|

Cc1csc2c1n(C)c(=O)n(-c1ccc(cc1Cl)C#Cc1ccccc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.19,-.77,;-1.19,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,)|

Cc1nc(C)c(s1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cc1nc(C)c2ccc(Nc3n[nH]c4cccnc34)cc2c1C

Cc1nc(Cl)cc2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1nc(N)nc(\C=C\c2ccccc2)c1C

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(Cl)cccc1Cl

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1Cl

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cc(F)c(F)cc1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cc(F)ccc1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C)cc1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)c(Cl)c1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)c(F)c1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(c1)C(F)(F)F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1C

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1C(F)(F)F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1F

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)c1ccc(C)cc1

Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)c1cccc(C)c1

Cc1nc(cn1C)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1nc(cn1CC(F)(F)F)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1nc(cs1)C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O |t:22|

Cc1nc2ccccc2nc1N=NCc1ccc(F)cc1 |w:11.12|

Cc1nc2ccccc2nc1N=NCc1ccc(O)cc1 |w:11.12|

Cc1nc2ccccc2nc1N=NCc1cccc(O)c1 |w:11.12|

Cc1nc2ccccc2nc1N=NCc1ccccc1 |w:11.12|

Cc1nc2ccccc2nc1N=NCc1ccccc1O |w:11.12|

Cc1ncc(C2CCCC2)c2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1ncc(F)c2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1ncc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)cn1

Cc1nccc(-c2cnn(c2)-c2ccccc2)c1C

Cc1nccc(\C=C\c2ccccc2)n1

Cc1nccc(n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cc1nccc(n1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1ncccc1N1CCC(Cc2ccc3oc(c\c(=N/O)c3c2)-c2cc3sccc3cn2)CC1

Cc1nccn1CCN1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1nn(C)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cc1nn(C2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cc1nn(CC2CCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cc1nn(c(C)c1-c1ccnc2ccccc12)-c1ccccc1 |(30.09,-33.8,;28.64,-33.3,;28.19,-31.83,;26.65,-31.8,;26.15,-33.26,;24.67,-33.71,;27.38,-34.18,;27.35,-35.72,;26,-36.47,;25.97,-38.01,;27.29,-38.81,;28.64,-38.06,;29.96,-38.85,;31.31,-38.1,;31.34,-36.57,;30.02,-35.77,;28.67,-36.52,;25.77,-30.54,;26.42,-29.15,;25.54,-27.89,;24,-28.02,;23.35,-29.43,;24.24,-30.68,)|

Cc1nn(cc1-c1ccnc2ccccc12)-c1ccccc1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ccc(Cl)cn1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ccc(F)c(F)c1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ccc(OC(F)F)nc1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ccc(cn1)C#N

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1cccc(Cl)n1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1cccc(F)n1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1cccc(n1)C(F)(F)F

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1cnc(cn1)C1CC1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(Cl)cc1F

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(F)cc1Cl

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(cc1Cl)C#N

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(cc1Cl)C(F)(F)F

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(cc1Cl)C1CC1

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncccc1Cl

Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncccc1F

Cc1noc2c(F)cc(Nc3n[nH]c4cccnc34)cc12

Cc1noc2c(F)cc(Nc3n[nH]c4ncccc34)cc12

Cc1noc2c(F)cc(Nc3n[nH]c4nccnc34)cc12

Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12

Cc1noc2ccc(Nc3n[nH]c4cc(F)cnc34)cc12

Cc1noc2ccc(Nc3n[nH]c4cccnc34)cc12

Cc1noc2ccc(Nc3n[nH]c4ncc(F)cc34)cc12

Cc1noc2ccc(Nc3n[nH]c4ncccc34)cc12

Cc1noc2ccc(Nc3n[nH]c4nccnc34)cc12

Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

Cc1nsc2cc(Nc3n[nH]c4ncccc34)cnc12

Cc1nsc2ccc(Nc3n[nH]c4cccnc34)cc12

Cc1o[nH]c(=O)c1C(N)C(O)=O

Cc1o[nH]c(=O)c1CCC(N)C(O)=O

Cc1o[nH]c(=O)c1CCCC(N)C(O)=O

Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O

Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O

Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1

Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1

Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1

Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1

Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1

Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(F)c1)[C@H]2O)C(O)=O |r|

Clc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Clc1cc(Br)cc(NC(=O)[C@H]2CSCCC(=O)N2)c1 |r|

Clc1cc(Cl)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2C#N)c1 |r|

Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)NCC2CC2)c1 |r|

Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2c2nnn[nH]2)c1 |r|

Clc1cc(Cl)cc(Nc2n[nH]c3cccnc23)c1

Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2cccc(Br)c2C1=O

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2cccc(I)c2C1=O

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccccc2C1=O

Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)C1CCCCC1

Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccc(o1)-c1ccccc1

Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1

Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cccs1

Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cncs1

Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1nccs1

Clc1cc(Nc2n[nH]c3cccnc23)cc(Cl)c1Cl

Clc1cc(Nc2n[nH]c3cccnc23)ccc1C#N

Clc1cc(Nc2n[nH]c3cccnc23)ccc1C(=O)c1ccccc1

Clc1cc(Nc2n[nH]c3cccnc23)ccc1OCc1ccccc1

Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccccn1

Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cnccn1

Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ncccn1

Clc1cc(Nc2n[nH]c3cccnc23)ccn1

Clc1cc(Nc2n[nH]c3cccnc23)cnc1Cl

Clc1cc(Nc2n[nH]c3cccnc23)cnc1N1CCCC1

Clc1cc(Nc2n[nH]c3cccnc23)cnc1N1CCOCC1

Clc1cc(Nc2n[nH]c3cccnc23)cnc1Oc1ccccn1

Clc1cc(ccc1-n1c(=O)[nH]c2ncccc2c1=O)C#Cc1ccccc1 |(,3.85,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;1.33,1.54,;2.67,2.31,;2.67,3.85,;1.33,4.62,;4,4.62,;5.33,3.85,;6.67,4.62,;8,3.85,;8,2.31,;6.67,1.54,;5.33,2.31,;4,1.54,;4,,;-2.67,-.77,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,)|

Clc1cc(ccc1-n1c(=O)[nH]c2ncncc2c1=O)C#Cc1ccccc1 |(-0,3.85,;-0,2.31,;-1.33,1.54,;-1.33,-0,;-0,-.77,;1.33,-0,;1.33,1.54,;2.67,2.31,;2.67,3.85,;1.33,4.62,;4,4.62,;5.33,3.85,;6.67,4.62,;8,3.85,;8,2.31,;6.67,1.54,;5.33,2.31,;4,1.54,;4,0,;-2.67,-.77,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,)|

Clc1cc(ccc1-n1c(=O)n(C2CCC2)c2ccccc2c1=O)C#Cc1ccccc1 |(,1.99,;,.45,;-1.33,-.32,;-1.33,-1.86,;,-2.63,;1.33,-1.86,;1.33,-.32,;2.67,.45,;2.67,1.99,;1.33,2.76,;4,2.76,;4,4.3,;5.09,5.39,;4,6.48,;2.91,5.39,;5.33,1.99,;6.67,2.76,;8,1.99,;8,.45,;6.67,-.32,;5.33,.45,;4,-.32,;4,-1.86,;-2.67,-2.63,;-4,-3.4,;-5.33,-4.17,;-6.67,-3.4,;-8,-4.17,;-8,-5.71,;-6.67,-6.48,;-5.33,-5.71,)|

Clc1cc(ccc1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1ccccc1 |(,3.08,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,)|

Clc1cc(ccc1Oc1ncccn1)N(c1n[nH]c2cccnc12)c1ncccn1

Clc1cc(cnc1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1ccccc1 |(,3.08,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,)|

Clc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(Cl)n1

Clc1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1

Clc1ccc(CS(=O)(=O)c2cnc(NC(=O)c3ccccn3)s2)c(Cl)c1

Clc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C2CC2)c(Cl)c1

Clc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1

Clc1ccc(CSc2cnc(NC(=O)c3ccccn3)s2)c(Cl)c1

Clc1ccc(Cl)c(c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Clc1ccc(NC(=O)C2CCCCC2)cc1Cl

Clc1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl

Clc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl

Clc1ccc(NC(=O)c2ccc(o2)-c2ccccc2)cc1Cl

Clc1ccc(NC(=O)c2ccccc2)cc1Cl

Clc1ccc(NC(=O)c2ccccn2)cc1C#N

Clc1ccc(NC(=O)c2ccccn2)cc1Cl

Clc1ccc(NC(=O)c2ccco2)cc1Cl

Clc1ccc(NC(=O)c2ccncn2)cc1Cl

Clc1ccc(NC(=O)c2ccno2)cc1Cl

Clc1ccc(NC(=O)c2ccsc2)cc1Cl

Clc1ccc(NC(=O)c2cnccn2)cc1Cl

Clc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

Clc1ccc(Nc2n[nH]c3cccnc23)cn1

Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1

Clc1ccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)cc1

Clc1ccc(cc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Clc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Clc1ccc(cn1)C(=O)COc1cccc(Br)c1

Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccc1

Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccn1

Clc1ccc(cn1)C(=O)COc1ccccc1-c1cncnc1

Clc1ccc(cn1)C(=O)COc1ccccc1Br

Clc1ccc(cn1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Clc1ccc(cn1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Clc1ccc(nc1)C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Clc1ccc(nc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Clc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

Clc1cccc(CNc2n[nH]c3cccnc23)c1

Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1

Clc1cccc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Clc1cccc(NC(=O)c2ccccn2)c1

Clc1cccc(NC(=O)c2ccco2)c1

Clc1cccc(Nc2c[nH]c3cccnc23)c1

Clc1cccc(Nc2n[nH]c3cccnc23)c1

Clc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

Clc1cccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)n1

Clc1cccc(n1)C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Clc1cccc(n1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl

Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl

Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1

Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

Clc1ccccc1CS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1

Clc1ccccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1

Clc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1

Clc1ccccc1CS(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Clc1ccccc1CSc1nnc(NC(=O)c2ccccn2)s1

Clc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccn2)ccc1Cl

Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1

Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1Cl

Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccncn2)cc1

Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1

Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1

Clc1ccccc1S(=O)(=O)Cc1ccc(NC(=O)c2ccccn2)cc1

Clc1cccnc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Clc1ccnc(Nc2n[nH]c3cccnc23)c1

Clc1cnc(Cl)c2ccc(Nc3n[nH]c4cccnc34)cc12

Clc1cncc(Nc2n[nH]c3cccnc23)c1

Clc1cncc(Nc2n[nH]c3cccnc23)n1

Clc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

Clc1ncccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Cn1c(cc2ccccc12)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

Cn1c2c(Cl)cccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;6.67,5.39,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2c(Cl)ccnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;6.67,5.39,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2c(F)c(F)ccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(3.33,5.39,;3.33,3.85,;4.67,3.08,;6,3.85,;6,5.39,;7.33,3.08,;8.67,3.85,;7.33,1.54,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.33,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.33,-5.39,;-6,-4.62,;2,3.08,;.67,3.85,)|

Cn1c2c(OCC(F)F)cccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(2.67,5,;2.67,3.46,;4,2.7,;5.33,3.47,;5.33,5.01,;6.67,5.78,;8,5.01,;9.34,5.78,;8,3.47,;6.67,2.7,;6.67,1.16,;5.33,.39,;4,1.16,;2.67,.39,;2.67,-1.15,;1.33,1.16,;-0,.38,;-1.33,1.15,;-1.33,2.69,;-2.67,.38,;-2.67,-1.16,;-1.33,-1.92,;-0,-1.16,;1.33,-1.93,;-4,-1.93,;-5.33,-2.7,;-6.67,-3.47,;-8,-2.7,;-9.34,-3.47,;-9.34,-5.01,;-8,-5.78,;-6.67,-5.01,;1.33,2.7,;-0,3.47,)|

Cn1c2cc(Cl)ccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(3.33,5.39,;3.33,3.85,;4.67,3.08,;6,3.85,;7.34,3.08,;8.67,3.85,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.34,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.34,-5.39,;-6,-4.62,;2,3.08,;.67,3.85,)|

Cn1c2ccc(F)cc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(3.33,5.39,;3.33,3.85,;4.67,3.08,;6,3.85,;7.33,3.08,;7.33,1.54,;8.67,.77,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;-3.33,-1.54,;-4.67,-2.31,;-6,-3.08,;-7.33,-2.31,;-8.67,-3.08,;-8.67,-4.62,;-7.33,-5.39,;-6,-4.62,;2,3.08,;.67,3.85,)|

Cn1c2ccccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ccccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ccccc2c(=O)n(-c2ncc(cc2C(F)(F)F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,1.6,;0,3.14,;0,4.68,;-1.54,3.14,;1.54,3.14,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ccccc2c(=O)n(-c2ncc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2cccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ccncc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2

Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)OC(C)(C)C

Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCC2CCCCC12

Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCCC1

Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCc2ccccc12

Cn1c2nc(sc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O)N1CCOCC1 |(1.84,5.39,;1.84,3.85,;3.17,3.08,;4.64,3.56,;5.54,2.31,;4.64,1.06,;3.17,1.54,;1.84,.77,;1.84,-.77,;.51,1.54,;-.83,.77,;-.83,-.77,;-2.16,-1.54,;-3.49,-.77,;-3.49,.77,;-2.16,1.54,;-2.16,3.08,;-4.83,-1.54,;-6.16,-2.31,;-7.5,-3.08,;-8.83,-2.31,;-10.16,-3.08,;-10.16,-4.62,;-8.83,-5.39,;-7.5,-4.62,;.51,3.08,;-.83,3.85,;7.08,2.31,;7.85,.98,;9.39,.98,;10.16,2.31,;9.39,3.64,;7.85,3.64,)|

Cn1c2ncccc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;-0,1.54,;-0,3.08,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ncccc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2nccnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;-0,-1.54,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ncncc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;-0,-1.54,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;2.67,3.08,;1.33,3.85,)|

Cn1c2ncsc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|

Cn1c2ncsc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|

Cn1c2nsnc2c(=O)n(-c2c(F)cc(cc2F)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|

Cn1c2scnc2c(=O)n(-c2ccc(cc2Cl)C#Cc2ccccc2)c1=O |(4.15,5.39,;4.15,3.85,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;4.15,.77,;4.15,-.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.19,-.77,;-1.19,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;2.82,3.08,;1.48,3.85,)|

Cn1cc(CCN2CCN3C(=O)N(C(=O)C[C@@]3(C)C2=O)c2c(F)cc(cc2F)C#Cc2ccccc2)cn1 |r|

Cn1cc(CN2CCN3C(=O)N(C(=O)CC3(C)C2=O)c2c(F)cc(cc2F)C#Cc2ccccc2)cn1

Cn1cc(ccc1=O)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1cc(cn1)-c1ccccc1OCC(=O)c1ccc(Cl)nc1

Cn1cc(cn1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1Cl)C#Cc1ccccc1

Cn1cc(cn1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cn1cc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1Cl)C#Cc1ccccc1 |r|

Cn1cc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1cc(cn1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1F |r|

Cn1cc2c(n1)n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(8.62,2.31,;7.08,2.31,;6.18,1.06,;4.71,1.54,;4.71,3.08,;6.18,3.56,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;2.05,1.54,;.71,.77,;-.62,1.54,;-.62,3.08,;-1.96,.77,;-1.96,-.77,;-.62,-1.54,;.71,-.77,;2.05,-1.54,;-3.29,-1.54,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-8.62,-3.08,;-8.62,-4.62,;-7.29,-5.39,;-5.96,-4.62,;3.38,.77,;3.38,-.77,)|

Cn1cc2n(C)c(=O)n(-c3c(F)cc(cc3F)C#Cc3ccccc3)c(=O)c2n1 |(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;2.05,1.54,;.71,.77,;.71,-.77,;2.05,-1.54,;-.62,-1.54,;-1.95,-.77,;-1.95,.77,;-.62,1.54,;-.62,3.08,;-3.29,-1.54,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-8.62,-3.08,;-8.62,-4.62,;-7.29,-5.39,;-5.96,-4.62,;3.38,.77,;3.38,-.77,;4.71,1.54,;6.18,1.06,)|

Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1

Cn1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

Cn1ccc(n1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cn1ccc(n1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc12

Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O

Cn1ccc2cc(ncc12)-c1c\c(=N/O)c2ccccc2o1

Cn1ccc2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1cccc1C(=O)Nc1ccc(Cl)c(Cl)c1

Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1

Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1

Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1

Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1

Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1

Cn1ccnc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Cn1cnc(c1)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cn1cnc(n1)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1cnc2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1cnc2n(C)c(=O)n(-c3c(F)cc(cc3F)C#Cc3ccccc3)c(=O)c12 |(7.72,-.27,;6.95,1.06,;7.85,2.31,;6.95,3.56,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,;5.48,1.54,)|

Cn1cnc2n(C)c(=O)n(-c3ccc(cc3Cl)C#Cc3ccccc3)c(=O)c12 |(7.72,-.27,;6.95,1.06,;7.85,2.31,;6.95,3.56,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,;5.48,1.54,)|

Cn1nc(C(=O)N2CCC(F)(F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(C(=O)N2CCC(F)(F)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(C(=O)N2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(C(=O)N2CC[C@@H](F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc12 |r|

Cn1nc(C(=O)N2CC[C@H](F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc12 |r|

Cn1nc(C(=O)NC23CC(F)(C2)C3)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(C(=O)NC2CC(F)(F)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc12

Cn1nc(C(=O)NC2CC(F)(F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(C(=O)NC2CC(F)C2)c2ccc(Nc3n[nH]c4cccnc34)cc12 |(18.31,-40.83,;17.4,-39.59,;17.87,-38.12,;16.62,-37.22,;16.61,-35.68,;15.27,-34.91,;17.94,-34.9,;17.93,-33.36,;19.01,-32.28,;17.92,-31.19,;17.91,-29.65,;16.83,-32.29,;15.37,-38.13,;13.85,-37.82,;12.84,-38.97,;13.32,-40.43,;12.3,-41.58,;10.79,-41.26,;10.16,-39.86,;8.63,-40.03,;8.32,-41.54,;6.99,-42.31,;6.99,-43.85,;8.32,-44.62,;9.66,-43.85,;9.65,-42.3,;14.83,-40.74,;15.86,-39.59,)|

Cn1nc(C(=O)NC2CCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(C(=O)NC2CCOC2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4nccnc34)cc12

Cn1nc(C2CC2)c2ncc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(CC(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC2CC3CCC2O3)c2ccc(Nc3n[nH]c4cccnc34)cc12 |TLB:4:5:9.8:11|

Cn1nc(OC2CC3CCC2O3)c2ccc(Nc3n[nH]c4ncccc34)cc12 |TLB:4:5:9.8:11|

Cn1nc(OC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3O)cc12

Cn1nc(OC2CCOC(C)(C)C2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC2CCOCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC2CCOCC2F)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OC2CCOCC2F)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC2CCOC[C@H]2F)c2ccc(NC(=O)c3ccccn3)cc12 |r|

Cn1nc(OC2CCOC[C@H]2F)c2ccc(NC(=O)c3ncccc3O)cc12 |r|

Cn1nc(OC2CCS(=O)(=O)C2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OC2CCS(=O)(=O)C2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(NC(=O)c3ncccc3O)cc12

Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(OC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CC2(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCCCO2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCCOC2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2CCCOC2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCCOC2)c2ccc(NC(=O)c3ncccc3O)cc12

Cn1nc(OCC2CCCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCCOC2)c2ncc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc12

Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3cc(F)ccn3)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3ccc(F)cn3)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3cccc(Cl)n3)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3cccc(F)n3)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3ncc(F)cc3F)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3ncccc3F)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3ncccc3O)cc12

Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3nccnc3N)cc12

Cn1nc(OCC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCOC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(OCC2CCOC2)c2ncc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2CCOC2)c2ncc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCOC2)c2ncc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc12

Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ncccc3O)cc12

Cn1nc(OCC2CCOCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCOCC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(OCC2CCOCC2)c2ncc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2CCOCC2)c2ncc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2CCOCC2)c2ncc(NC(=O)c3ncccc3O)cc12

Cn1nc(OCC2CCOCC2)c2ncc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2CCOCC2)c2ncc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc12

Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2COCCO2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCC2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCC2COCCO2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCC2COCCO2)c2ccc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(OCCN2CCOCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCCN2CCOCC2)c2ccc(NC(=O)c3ccccn3)cc12

Cn1nc(OCCN2CCOCC2)c2ccc(NC(=O)c3ncccc3N)cc12

Cn1nc(OCCN2CCOCC2)c2ccc(NC(=O)c3ncccc3O)cc12

Cn1nc(OCCN2CCOCC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCCN2CCOCC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

Cn1nc(OCCOc2ccc(F)cc2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCCOc2ccccc2F)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OC[C@@H]2CCOC2)c2ccc(NC(=O)c3ncccc3N)cc12 |r|

Cn1nc(OC[C@@H]2CCOC2)c2ncc(NC(=O)c3ncccc3N)cc12 |r|

Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ccccn3)cc12 |r|

Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc12 |r|

Cn1nc(OC[C@H]2CCOC2)c2ccc(NC(=O)c3ncccc3N)cc12 |r|

Cn1nc(OC[C@H]2CCOC2)c2ncc(NC(=O)c3ncccc3N)cc12 |r|

Cn1nc(OC[C@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc12 |r|

Cn1nc(OCc2ccccn2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCc2cccnc2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(OCc2ccncc2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(O[C@H]2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc12 |r|

Cn1nc(O[C@H]2CCOC2)c2ccc(Nc3n[nH]c4ncccc34)cc12 |r|

Cn1nc(Oc2ccc(cn2)C#N)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(Oc2ccc(cn2)C#N)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(Oc2cccc(n2)C#N)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(Oc2ncccc2C#N)c2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1nc(c2ccc(Nc3n[nH]c4cccnc34)cc12)C(F)(F)F

Cn1nc(c2ccc(Nc3n[nH]c4cccnc34)cc12)C1(C)CC1

Cn1nc(c2ccc(Nc3n[nH]c4ncccc34)cc12)C1(C)CC1

Cn1nc(c2ccc(Nc3n[nH]c4nccnc34)cc12)C1(C)CC1

Cn1nc(cc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F

Cn1nc(ccc1=O)N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1nc2cccnc2c1Nc1ccc(F)c(Cl)c1

Cn1ncc(cc1=O)N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cn1ncc2c1n(C)c(=O)n(-c1c(F)cc(cc1F)C#Cc1ccccc1)c2=O |(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.19,.77,;-1.19,-.77,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,)|

Cn1ncc2cc(Nc3n[nH]c4cccnc34)ccc12

Cn1ncc2ccc(Nc3n[nH]c4cccnc34)cc12

Cn1ncc2n(C)c(=O)n(-c3c(F)cc(cc3F)C#Cc3ccccc3)c(=O)c12 |(7.72,-.27,;6.95,1.06,;7.85,2.31,;6.95,3.56,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;2.82,1.54,;1.48,.77,;1.48,-.77,;2.82,-1.54,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;.15,3.08,;-2.52,-1.54,;-3.85,-2.31,;-5.19,-3.08,;-6.52,-2.31,;-7.85,-3.08,;-7.85,-4.62,;-6.52,-5.39,;-5.19,-4.62,;4.15,.77,;4.15,-.77,;5.48,1.54,)|

Cn1nccc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

Cn1nccc1-c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

Cn1nccc1CCN1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1nccc1CN1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1nccc1N1CCN2C(=O)N(C(=O)CC2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1

Cn1nccc1N1CCN2C(=O)N(C(=O)C[C@@]2(C)C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1 |r|

Cn1nnc2ccc(Nc3n[nH]c4cccnc34)cc12

FC(F)(F)C(=C)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC(F)(F)C1CCCCN1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC(F)(F)C1CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1

FC(F)(F)c1cc(NC(=O)[C@@H]2CSCCC(=O)N2)cc(c1)C(F)(F)F |r|

FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1C#N

FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1Cl

FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl

FC(F)(F)c1cc(Nc2n[nH]c3cccnc23)cc(c1)C(F)(F)F

FC(F)(F)c1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1

FC(F)(F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl

FC(F)(F)c1ccc(OCC(=O)c2ccc(Cl)nc2)cc1

FC(F)(F)c1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

FC(F)(F)c1ccc(cc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

FC(F)(F)c1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1

FC(F)(F)c1cccc(NC(=O)c2ccccn2)n1

FC(F)(F)c1cccc(Nc2n[nH]c3cccnc23)c1

FC(F)(F)c1cccc(c1)C(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl

FC(F)(F)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl

FC(F)(F)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl

FC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

FC(F)(F)c1nsc2cc(Nc3n[nH]c4ncccc34)ccc12

FC(F)Oc1cccc(NC(=O)c2cccc(F)n2)c1

FC(F)Oc1cccc(NC(=O)c2ccccn2)c1

FC(F)Oc1cccc(Nc2n[nH]c3cccnc23)c1

FC(F)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F

FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

FC(c1ccccc1F)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

FC1(F)CC(C1)NC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

FC1(F)CC(C1)Nc1nccc2cc(NC(=O)c3ccccn3)ccc12

FC1(F)CC(C1)Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CC(C1)Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC1(F)CC(C1)Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

FC1(F)CC2(CN(C2)C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1

FC1(F)CC2CCC(C1)N2c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

FC1(F)CCCN(C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCCN(C1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCCN(C1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC1(F)CCCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)C1

FC1(F)CCCN(Cc2nsc3cc(Nc4n[nH]c5ncccc45)cnc23)C1

FC1(F)CCN(C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCN(C1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC1(F)CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4nccnc34)ccc12

FC1(F)CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

FC1(F)CCN(CC1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1(F)CCN(CC1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC1(F)CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1

FC1(F)CCc2[nH]nc(Nc3ccc4cnccc4c3)c2C1

FC1(F)CN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1CC(C1)NC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12 |(5.72,5.96,;5.72,4.42,;6.81,3.33,;5.72,2.24,;4.63,3.33,;5.72,.7,;4.39,-.07,;3.05,.7,;4.39,-1.61,;5.72,-2.38,;5.72,-3.92,;4.39,-4.69,;3.05,-3.92,;1.72,-4.69,;.39,-3.92,;-.95,-4.69,;-2.28,-3.92,;-2.28,-2.38,;-3.75,-1.9,;-4.65,-3.15,;-6.18,-3.31,;-6.81,-4.71,;-5.9,-5.96,;-4.37,-5.8,;-3.75,-4.39,;.39,-2.38,;1.72,-1.61,;3.05,-2.38,)|

FC1CC(C1)Nc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |(8.46,-.32,;6.92,-.32,;5.83,-1.41,;4.74,-.32,;5.83,.77,;3.2,-.32,;2.17,-1.46,;2.65,-2.93,;1.62,-4.07,;.11,-3.75,;-.36,-2.29,;-1.87,-1.97,;-2.35,-.5,;-3.85,-.18,;-4.33,1.28,;-3.42,2.53,;-4.33,3.78,;-5.79,3.3,;-7.13,4.07,;-8.46,3.3,;-8.46,1.76,;-7.13,.99,;-5.79,1.76,;-1.32,.64,;.19,.32,;.67,-1.14,)|

FC1CC(C1)Nc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |(8.46,-.32,;6.92,-.32,;5.83,-1.41,;4.74,-.32,;5.83,.77,;3.2,-.32,;2.17,-1.46,;2.65,-2.93,;1.62,-4.07,;.11,-3.75,;-.36,-2.29,;-1.87,-1.97,;-2.35,-.5,;-3.85,-.18,;-4.33,1.28,;-3.42,2.53,;-4.33,3.78,;-5.79,3.3,;-7.13,4.07,;-8.46,3.3,;-8.46,1.76,;-7.13,.99,;-5.79,1.76,;-1.32,.64,;.19,.32,;.67,-1.14,)|

FC1CC(C1)Nc1nccc2cc(Nc3n[nH]c4nccnc34)ccc12 |(3.6,4.2,;4,2.72,;5.49,2.32,;5.09,.83,;3.6,1.23,;5.86,-.5,;4.77,-1.59,;5.25,-3.06,;4.22,-4.2,;2.71,-3.88,;2.24,-2.42,;.73,-2.1,;.25,-.63,;-1.25,-.31,;-1.73,1.15,;-.82,2.4,;-1.73,3.64,;-3.19,3.17,;-4.53,3.94,;-5.86,3.17,;-5.86,1.63,;-4.53,.86,;-3.19,1.63,;1.28,.51,;2.79,.19,;3.27,-1.27,)|

FC1CCCN(C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1CCCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1CCCN(C1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

FC1CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1CCN(CC1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1

FC1COCCC1Oc1nccc2cc(NC(=O)c3ccccn3)ccc12

FCOc1cc(NC(=O)c2ccccn2)ccc1Cl

FCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F

FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

FCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

FCc1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

F[C@@H]1CCN(C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

F[C@@H]1CCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

F[C@@H]1CCN(C1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

F[C@@H]1CCN(C1)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12 |r|

F[C@H]1CCN(C1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

F[C@H]1CCN(C1)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |r|

F[C@H]1CCN(C1)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12 |r|

F[C@H]1CCN(C1)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12 |r|

Fc1c(Cl)cc(Nc2n[nH]c3cccnc23)cc1Cl

Fc1c(Cl)cccc1Nc1n[nH]c2cccnc12

Fc1c(Cl)cccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Fc1cc(Cl)c(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1cc(Cl)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Fc1cc(Cl)cc(Nc2n[nH]c3cccnc23)c1

Fc1cc(Cl)ccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1

Fc1cc(Cl)ccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C(F)(F)F

Fc1cc(Cl)ccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1

Fc1cc(Cl)ccc1CSc1cnc(NC(=O)c2ccccn2)s1

Fc1cc(Cl)ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1

Fc1cc(Cl)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1cc(F)c(F)c(Nc2n[nH]c3cccnc23)c1

Fc1cc(F)c(Nc2n[nH]c3cccnc23)cc1Cl

Fc1cc(F)c(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1cc(F)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Fc1cc(F)cc(Nc2n[nH]c3cccnc23)c1

Fc1cc(I)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|

Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N

Fc1cc(NC(=O)c2ccccn2)cc2ccnc(OCC3CCOC3)c12

Fc1cc(NC(=O)c2ccccn2)cc2ccnc(OCC3CCOCC3)c12

Fc1cc(NC(=O)c2ccccn2)cc2ccnc(OCC3COCCO3)c12

Fc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl

Fc1cc(NC(=O)c2ncccc2C(F)(F)F)cc2ccnc(OCC3CCOCC3)c12

Fc1cc(Nc2n[nH]c3cccnc23)cc(F)c1F

Fc1cc(Nc2n[nH]c3cccnc23)cc(c1)C(F)(F)F

Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cc(ccn1)C(F)(F)F

Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccc(Cl)cn1

Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ncccn1

Fc1cc(cc(Cl)c1-n1c(=O)n(C2COC2)c2ccccc2c1=O)C#Cc1cccnc1 |(2.67,-2.63,;1.33,-1.86,;-0,-2.63,;-1.33,-1.86,;-1.33,-.32,;-0,.45,;-0,1.99,;1.33,-.32,;2.67,.45,;2.67,1.99,;1.33,2.76,;4,2.76,;4,4.3,;5.09,5.39,;4,6.48,;2.91,5.39,;5.33,1.99,;6.67,2.76,;8,1.99,;8,.45,;6.67,-.32,;5.33,.45,;4,-.32,;4,-1.86,;-2.67,-2.63,;-4,-3.4,;-5.33,-4.17,;-5.33,-5.71,;-6.67,-6.48,;-8,-5.71,;-8,-4.17,;-6.67,-3.4,)|

Fc1cc(cc(F)c1-n1c(=O)[nH]c2ncsc2c1=O)C#Cc1ccccc1 |(2.82,-.77,;1.48,,;.15,-.77,;-1.18,,;-1.18,1.54,;.15,2.31,;.15,3.85,;1.48,1.54,;2.82,2.31,;2.82,3.85,;1.48,4.62,;4.15,4.62,;5.48,3.85,;6.95,4.33,;7.85,3.08,;6.95,1.83,;5.48,2.31,;4.15,1.54,;4.15,,;-2.52,-.77,;-3.85,-1.54,;-5.19,-2.31,;-6.52,-1.54,;-7.85,-2.31,;-7.85,-3.85,;-6.52,-4.62,;-5.19,-3.85,)|

Fc1cc(cc(F)c1-n1c(=O)n(C2COC2)c2ccccc2c1=O)C#Cc1ccccc1 |(-0,1.99,;-0,.45,;-1.33,-.32,;-1.33,-1.86,;-0,-2.63,;1.33,-1.86,;2.67,-2.63,;1.33,-.32,;2.67,.45,;2.67,1.99,;1.33,2.76,;4,2.76,;4,4.3,;5.09,5.39,;4,6.48,;2.91,5.39,;5.33,1.99,;6.67,2.76,;8,1.99,;8,.45,;6.67,-.32,;5.33,.45,;4,-.32,;4,-1.86,;-2.67,-2.63,;-4,-3.4,;-5.33,-4.17,;-6.67,-3.4,;-8,-4.17,;-8,-5.71,;-6.67,-6.48,;-5.33,-5.71,)|

Fc1cc(cc(F)c1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1ccccc1 |(-0,3.08,;-0,1.54,;-1.33,.77,;-1.33,-.77,;-0,-1.54,;1.33,-.77,;2.67,-1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,)|

Fc1cc(cc(F)c1-n1c(=O)n2CCc3cccc(c23)c1=O)C#Cc1cccnc1 |(2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,3.08,;1.33,.77,;2.67,1.54,;2.67,3.08,;1.33,3.85,;4,3.85,;4,5.39,;6.67,5.39,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;-2.67,-1.54,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-6.67,-2.31,)|

Fc1cc(cc(F)c1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1cc(cc(F)c1N1C(=O)C2CCc3ccccc3N2C1=O)C#Cc1ccccc1

Fc1cc(cc(F)c1N1C(=O)C2Cc3ccccc3CN2C1=O)C#Cc1ccccc1

Fc1cc(cc(F)c1N1C(=O)C2Cc3ccccc3N2C1=O)C#Cc1ccccc1

Fc1cc(cc(F)c1N1C(=O)CC2N(CCN(C2=O)c2ccccn2)C1=O)C#Cc1ccccc1

Fc1cc(cc(F)c1N1C(=O)CC2N(CCN(C2=O)c2cccnc2)C1=O)C#Cc1ccccc1

Fc1cc(cc(F)c1N1C(=O)CC2N(CCN(C2=O)c2ccncn2)C1=O)C#Cc1ccccc1

Fc1cc(cc(F)c1N1C(=O)CN(C2CC2)C1=O)C#Cc1ccccc1

Fc1cc(ccc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1cc(ccc1NC(=O)c1ccccn1)N1S(=O)(=O)c2ccccc2S1(=O)=O

Fc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)c(Cl)c1

Fc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)c(F)c1

Fc1ccc(C(=O)n2ccc3cc(NC(=O)c4ccccn4)ccc23)c(Cl)c1

Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1

Fc1ccc(CNc2n[nH]c3cccnc23)cc1Cl

Fc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C(F)(F)F)c(F)c1

Fc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C2CC2)c(F)c1

Fc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(Cl)c1

Fc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(F)c1

Fc1ccc(Cl)cc1Nc1n[nH]c2cccnc12

Fc1ccc(Cl)cc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1ccc(Cl)nc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Fc1ccc(F)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c1

Fc1ccc(F)c(n1)C(=O)Nc1cc(F)c2c(OCC3CCOC3)nccc2c1

Fc1ccc(F)c(n1)C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Fc1ccc(N2CCN(CC2)C(=O)c2cnc3n(CC4CC4)ncc3c2C(F)(F)F)c(F)c1

Fc1ccc(N2CCN(Cc3cc(cn4c(CC5CC5)nnc34)C(F)(F)F)CC2)c(F)c1

Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(Cl)c1

Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1

Fc1ccc(NC(=O)c2ccccn2)cc1C#N

Fc1ccc(NC(=O)c2ccccn2)cc1C(F)(F)F

Fc1ccc(Nc2n[nH]c3cccnc23)cc1

Fc1ccc(Nc2n[nH]c3cccnc23)cc1C(F)(F)F

Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

Fc1ccc(Nc2n[nH]c3cccnc23)cc1F

Fc1ccc(Nc2n[nH]c3cncnc23)cc1Cl

Fc1ccc(Nc2n[nH]c3nccnc23)cc1Cl

Fc1ccc(Nc2n[nH]c3scnc23)cc1Cl

Fc1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)nc1

Fc1ccc(c(F)c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1ccc(c(F)c1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1ccc(cc1)-n1cc(cn1)-c1ccnc2ccccc12

Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O

Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O

Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O

Fc1ccc(cc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Fc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1ccc(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1

Fc1ccc(cc1F)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1

Fc1ccc(nc1)C(=O)Nc1cc(F)c2c(OCC3CCOC3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1cc(F)c2c(OCC3CCOCC3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1cc(F)c2c(OCC3COCCO3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1ccc2c(OCC3CCOCC3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1ccc2c(OCC3COCCO3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1ccc2c(OCc3cccnc3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1ccc2c(OCc3ccncc3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1ccc2c(Oc3ccncc3)nccc2c1

Fc1ccc(nc1)C(=O)Nc1cnc2c(OCC3CCOCC3)nccc2c1

Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O

Fc1ccc2[nH]nc(Nc3ccc(F)c(Cl)c3)c2n1

Fc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1

Fc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1

Fc1cccc(F)c1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1

Fc1cccc(F)c1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C(F)(F)F

Fc1cccc(F)c1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1

Fc1cccc(Nc2n[nH]c3cccnc23)c1

Fc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

Fc1cccc(c1)-n1cc(cn1)-c1ccnc2ccccc12

Fc1cccc(n1)C(=O)Nc1cc(F)c2c(OCC3CCOC3)nccc2c1

Fc1cccc(n1)C(=O)Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O

Fc1cccc(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1Cl

Fc1cccc(n1)C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Fc1cccc(n1)C(=O)Nc1ccc2c(OCC3CCOCC3)nccc2c1

Fc1cccc(n1)C(=O)Nc1ccc2c(OCC3COCCO3)nccc2c1

Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl

Fc1ccccc1-n1cc(cn1)-c1ccnc2ccccc12

Fc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl

Fc1ccccc1C(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl

Fc1ccccc1C(F)(F)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Fc1ccccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1

Fc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C(F)(F)F

Fc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1

Fc1ccccc1CS(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1

Fc1ccccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1

Fc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1

Fc1cccnc1C(=O)Nc1cc(F)c2c(OCC3CCOC3)nccc2c1

Fc1cccnc1C(=O)Nc1cc(F)c2c(OCC3CCOCC3)nccc2c1

Fc1cccnc1C(=O)Nc1cc(F)c2c(OCC3COCCO3)nccc2c1

Fc1cccnc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Fc1cnc(-c2ccco2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Fc1cnc(-n2cccn2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Fc1cnc(C(=C)C(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12

Fc1cnc(C(=O)Nc2cc(F)c3c(OCC4CCOC4)nccc3c2)c(F)c1

Fc1cnc(C(=O)Nc2ccc3c(OCC4CCOC4)nccc3c2)c(Cl)c1

Fc1cnc(C(=O)Nc2ccc3c(OCC4CCOC4)nccc3c2)c(F)c1

Fc1cnc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

Fc1cnc(Cl)c2ccc(Nc3n[nH]c4cccnc34)cc12

Fc1cnc(OCC2CCOC2)c2ccc(NC(=O)c3ccccn3)cc12

Fc1cnc(OCC2CCOCC2)c2ccc(NC(=O)c3ccccn3)cc12

Fc1cnc(OCC2COCCO2)c2ccc(NC(=O)c3ccccn3)cc12

Fc1cnc2[nH]nc(Nc3ccc4c(OC5CCOCC5)nccc4c3)c2c1

Fc1cnc2[nH]nc(Nc3ccc4c(cccc4c3)C(=O)N3CCC(F)(F)CC3)c2c1

Fc1cnc2[nH]nc(Nc3ccc4c(nccc4c3)C(F)(F)F)c2c1

Fc1cnc2c(Nc3ccc4c(OCC5COCCO5)nccc4c3)n[nH]c2c1

Fc1cnc2c(Nc3ccc4c(O[C@H]5CCOC5)nccc4c3)n[nH]c2c1 |r|

Fc1cnc2c(Nc3ccc4c(cccc4c3)C(=O)N3CCC(F)(F)CC3)n[nH]c2c1

Fc1cnc2c(Nc3ccc4c(nccc4c3)C(F)(F)F)n[nH]c2c1

Fc1cncc(Nc2n[nH]c3cccnc23)c1

Fc1cncc(c1)-c1ncc(F)c2cc(Nc3n[nH]c4cccnc34)ccc12

Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

Fc1ncc(Cl)cc1Nc1n[nH]c2cccnc12

Ic1ccc(NC(=O)c2ccccn2)cc1C#N

N#Cc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

N#Cc1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

N(c1n[nH]c2ccccc12)c1ccc2cnccc2c1

N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1

N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cncn1

N(c1n[nH]c2cccnc12)c1ccc2c(nsc2c1)-c1ccccc1

N(c1n[nH]c2cccnc12)c1ccc2c(nsc2c1)-c1ccsc1

N(c1n[nH]c2cccnc12)c1ccc2c3nccn3ccc2c1

N(c1n[nH]c2cccnc12)c1ccc2c3nncn3ccc2c1

N(c1n[nH]c2cccnc12)c1ccc2c3nnnn3ccc2c1

N(c1n[nH]c2cccnc12)c1ccc2ccccc2c1

N(c1n[nH]c2cccnc12)c1ccc2cccnc2c1

N(c1n[nH]c2cccnc12)c1ccc2ccncc2c1

N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1

N(c1n[nH]c2cccnc12)c1ccc2cnccc2n1

N(c1n[nH]c2cccnc12)c1ccc2ncccc2c1

N(c1n[nH]c2cccnc12)c1ccc2nccnc2c1

N(c1n[nH]c2cccnc12)c1ccc2ncncc2c1

N(c1n[nH]c2cccnc12)c1ccccc1

N(c1n[nH]c2cccnc12)c1cnc2ccccc2c1

N(c1n[nH]c2cccnc12)c1cncnc1

N(c1n[nH]c2ncccc12)c1ccc2c(nsc2c1)-c1ccccc1

N(c1n[nH]c2nccnc12)c1ccc2c(nsc2c1)-c1ccsc1

N(c1n[nH]c2nccnc12)c1ccc2cnccc2c1

N(c1nc(cs1)-c1cn[nH]c1)c1ccccn1

N(c1nccs1)c1n[nH]c2cccnc12

NC(=O)C1CCN(CC1)C(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r,c:5|

NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|

NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1

NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1

NC(C(O)=O)c1cc(=O)[nH]o1

NC(C(O)=O)c1ccc(C(O)=O)c(O)c1

NC(C(O)=O)c1ccc(cc1)C(O)=O

NC(C(O)=O)c1ccc(cc1)P(O)(O)=O

NC(C(O)=O)c1cccc(O)c1

NC(C(O)=O)c1cnn(O)c1-c1ccccc1 |w:1.0|

NC(C(O)=O)c1cnn(O)c1Br |w:1.0|

NC(C(O)=O)c1cnn(O)c1C(c1ccccc1)c1ccccc1 |w:1.0|

NC(C(O)=O)c1cnn(O)c1CC1CC1 |w:1.0|

NC(C(O)=O)c1cnn(O)c1CC1CCCCC1 |w:1.0|

NC(C(O)=O)c1cnn(O)c1CCCc1ccccc1 |w:1.0|

NC(C(O)=O)c1cnn(O)c1CCc1ccccc1 |w:1.0|

NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|

NC(CC1CC(=NO1)C(O)=O)C(O)=O |c:5|

NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O

NC(CCP(O)(=O)C(CC(O)=O)C(O)=O)C(O)=O

NC(CCP(O)(O)=O)C(O)=O

NC(CS(O)(=O)=O)C(O)=O

NC(CS(O)=O)C(O)=O

NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O

NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O

NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O

NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O

NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O

NC1(CC(C(C1)C(O)=O)C(O)=O)C(O)=O

NC1(CC(C1)=CP(O)(O)=O)C(O)=O |(12.3,1,;12.3,-.54,;10.76,-.54,;10.76,-2.1,;12.3,-2.08,;9.68,-3.2,;8.14,-3.2,;7.05,-4.29,;8.54,-4.67,;7.73,-1.7,;13.84,-.54,;14.61,-1.85,;14.61,.79,)|

NC1(CC1(F)CP(O)(O)=O)C(O)=O

NC1(CC1CP(O)(O)=O)C(O)=O

NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O |c:5|

NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|

NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|

NC1(CCc2cc(ccc12)C(O)=O)C(O)=O

NC1(C[C@@H]([C@H](C1)C(O)=O)C(O)=O)C(O)=O

NC1(C[C@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O

NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|

NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|

NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O

N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O

N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O |r|

N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|

N[C@@H](C(O)=O)c1cccc(O)c1 |r|

N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O

N[C@@H](CC(=C)C(O)=O)C(O)=O

N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|

N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|

N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|

N[C@@H](CCC(O)=O)C(O)=O

N[C@@H](CCCC(O)=O)C(O)=O

N[C@@H](CCCP(O)(O)=O)C(O)=O |r|

N[C@@H](CCCP(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(CC(O)=O)C(F)(F)F)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(CC(O)=O)CC(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(N)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(N)c1csc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(NCCc1ccccc1)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(NCc1cccc2ccccc12)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(NCc1ccccc1)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1c[nH]c2ncccc12)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cc(O)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cc(ccc1O)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(F)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(N)cc1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(O)c(c1)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(O)cc1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(O)nc1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)cc1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(c(O)c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)[N+]([O-])=O)C(F)(F)F)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)C(F)(F)F)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(o1)C(F)(F)F)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(o1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccc(s1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cccc(c1)C#N)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cccc(c1)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cccc(c1O)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cccnc1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccnc(O)c1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1ccncc1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1cnc(N)s1)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1coc(c1)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)C(O)c1csc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)CC(CC(O)=O)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)CC(CCO)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)CC(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)CCCC(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)Cc1cccc(c1)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)Cc1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)[C@@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)[C@@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)[C@@H](O)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)[C@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)[C@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(=O)[C@H](O)c1cccc(c1)[N+]([O-])=O)C(O)=O |r|

N[C@@H](CCP(O)(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(O)=S)C(O)=O

N[C@@H](CCP(O)(O)C(=O)C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(O)C(=O)C1CC1C(O)=O)C(O)=O |r|

N[C@@H](CCP(O)(O)C1=CC(=O)OC1)C(O)=O |r,t:7|

N[C@@H](CCP(O)(O)C=C1CCOC1=O)C(O)=O |r,w:7.6|

N[C@@H](CCP(O)=O)C(O)=O

N[C@@H](CCS(O)(=O)=O)C(O)=O |r|

N[C@@H](CCS(O)=O)C(O)=O |r|

N[C@@H](CCc1ns[nH]c1=O)C(O)=O

N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O

N[C@@H](COP(O)(O)=O)C(O)=O

N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|

N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|

N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|

N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|

N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|

N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O

N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O

N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O

N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|

N[C@@H](Cc1cn(CC(O)=O)nn1)C(O)=O |r|

N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|

N[C@@H](Cc1cnnn1CC(O)=O)C(O)=O |r|

N[C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|

N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O

N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O

N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O

N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|

N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O

N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|

N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O

N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|

N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O

N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O |r|

N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O

N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|

N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O

N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O

N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O

N[C@@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|

N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O

N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O

N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O

N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O

N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r|

N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O

N[C@@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r|

N[C@@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O

N[C@@](Cc1ccccc1)(Cn1oc(=O)[nH]c1=O)C(O)=O

N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O

N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O

N[C@@]1(C[C@@H]1CP(O)(O)=O)C(O)=O

N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|

N[C@@]1(C[C@@]1(F)C(=O)P(O)(O)O)C(O)=O |r|

N[C@@]1(C[C@@]1(F)CC(O)=O)C(O)=O |r|

N[C@@]1(C[C@@]1(F)CCC(O)=O)C(O)=O |r|

N[C@@]1(C[C@@]1(F)CP(O)(O)=O)C(O)=O |r|

N[C@@]1(C[C@@]1(F)CS(O)(=O)=O)C(O)=O |r|

N[C@@]1(C[C@H]1CP(O)(O)=O)C(O)=O

N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|

N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O

N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O

N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|

N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O

N[C@H](C(O)=O)c1cc(=O)[nH]o1

N[C@H](C(O)=O)c1cc(O)cc(O)c1

N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1

N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O

N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O

N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|

N[C@H](C(O)=O)c1cccc(O)c1

N[C@H](CC(=C)C(O)=O)C(O)=O

N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|

N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|

N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|

N[C@H](CCC(O)=O)C(O)=O

N[C@H](CCCC(O)=O)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1cc(Cl)c(OCC(O)=O)c(Cl)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1cc(F)c(OCC(O)=O)c(F)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(CCC(O)=O)cc1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(O)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(O)=O)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCCO)cc1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(OCP(O)(O)=O)cc1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)cc1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1ccc(\C=C\C(O)=O)cc1)C(O)=O |r|

N[C@H](CCP(O)(=O)C(O)c1cccc(OCC(O)=O)c1)C(O)=O |r,w:7.7|

N[C@H](CCP(O)(=O)C(O)c1cccc(OCC(O)=O)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|

N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O |r|

N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O |r|

N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)cc1)C(O)=O |r|

N[C@H](CCP(O)(O)=O)C(O)=O |r|

N[C@H](CCc1ns[nH]c1=O)C(O)=O

N[C@H](Cc1cc(=O)[nH]o1)C(O)=O

N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|

N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|

N[C@H](Cn1oc(=O)[nH]c1=O)C(O)=O

N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|

N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O

N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O

N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|

N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O

N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O

N[C@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O

N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|

N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O

N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O

N[C@]1(CC[C@@H](C1)P(O)(O)=O)C(O)=O

N[C@]1(CC[C@@H](CC(O)=O)C1)C(O)=O

N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O

N[C@]1(CC[C@H](C1)P(O)(O)=O)C(O)=O

N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O

N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|

N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|

N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O

N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O

N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O

N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O

N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O

N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O

N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O

N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O

N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|

N[C@]1(C[C@@]1(F)C(=O)P(O)(O)O)C(O)=O |r|

N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O

N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O

N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O

N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O

N[C@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|

Nc1cc(\C=C\c2ccccc2)nc(N)n1

Nc1cccc(\C=C\c2ccccc2)n1

Nc1cccnc1C(=O)Nc1cc(F)c2c(OCC3CCOC3)nccc2c1

Nc1cccnc1C(=O)Nc1cc(F)c2c(OCC3CCOCC3)nccc2c1

Nc1cccnc1C(=O)Nc1cc(F)c2c(OCC3COCCO3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2C3CCC(C3)C2=O)c(Cl)c1 |TLB:13:14:16.17:19,THB:21:20:16.17:19|

Nc1cccnc1C(=O)Nc1ccc(N2CC(CC2=O)c2c(F)cccc2Cl)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2CC(CC2=O)c2cccnc2)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2CC(Cc3ccccc3)CC2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2CC3(CC2=O)CCCCC3)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2CC3(CCCC3)CC2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccc(Cl)cc3C2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3CC2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1

Nc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3F)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OC3CCS(=O)(=O)C3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3CCCCO3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3CCOC3)ncc(F)c2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3CCOCC3)ncc(F)c2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3CCOCC3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3COCCO3)ncc(F)c2c1

Nc1cccnc1C(=O)Nc1ccc2c(OCC3COCCO3)nccc2c1

Nc1cccnc1C(=O)Nc1ccc2c(OC[C@@H]3CCOC3)nccc2c1 |r|

Nc1cccnc1C(=O)Nc1ccc2c(OC[C@H]3CCOC3)nccc2c1 |r|

Nc1cccnc1C(=O)Nc1ccc2c(O[C@H]3CCOC3)ncc(F)c2c1 |r|

Nc1cccnc1C(=O)Nc1ccc2c(O[C@H]3CCOC3)nccc2c1 |r|

Nc1cccnc1C(=O)Nc1ccc2c(Oc3ccncc3)nccc2c1

Nc1cccnc1C(=O)Nc1cccc(Cl)c1

Nc1cccnc1C(=O)Nc1cnc2c(OCC3CCOCC3)nccc2c1

Nc1cncc(\C=C\c2ccccc2)n1

Nc1nc(C=Cc2ccccc2)cc(=O)[nH]1 |w:5.5|

Nc1nc(\C=C\c2ccccc2)cc(n1)C(F)(F)F

Nc1ncc(Br)c(\C=C\c2ccccc2)n1

Nc1ncc(Cl)c(\C=C\c2ccccc2)n1

Nc1ncc(cn1)[C@@H]1C[C@H]1c1ccccc1 |r|

Nc1nccc(CCc2ccccc2)n1

Nc1nccc(\C=C\c2ccc(F)cc2)n1

Nc1nccc(\C=C\c2ccc(cc2)C#N)n1

Nc1nccc(\C=C\c2cccc(F)c2)n1

Nc1nccc(\C=C\c2cccc(c2)C#N)n1

Nc1nccc(\C=C\c2ccccc2)n1

Nc1nccc(\C=C\c2ccccc2C#N)n1

Nc1nccc(\C=C\c2ccccc2F)n1

Nc1nccc(\C=C\c2ccccn2)n1

Nc1nccc(\C=C\c2cccnc2)n1

Nc1nccc(\C=C\c2ccco2)n1

Nc1nccc(\C=C\c2cccs2)n1

Nc1nccc(\C=C\c2ccncc2)n1

Nc1nccc(n1)-c1cc2ccccc2o1

Nc1nccc(n1)-c1cc2ccccc2s1

Nc1nccc(n1)-c1ccc2ccccc2c1

Nc1nccc(n1)C#Cc1ccccc1

Nc1nccnc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Nc1nccnc1C(=O)Nc1ccc2c(OCC3COCCO3)nccc2c1

O=C(C1CC1)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(C1CCC1)N1CCCC2(CCCCC2)C1

O=C(C1CCOCC1)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCOCC1

O=C(N1CCC(C1)N1CCOCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCCC1c1ccccn1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCCOCC1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCCOCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCCS(=O)(=O)CC1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|

O=C(N1CCN2CCCC2C1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCNCC1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCOCC1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCOCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCS(=O)(=O)CC1)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCS(=O)(=O)CC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(N1CCSCC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)C1CCCCC1

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccc1

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccco1

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccncn1

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1cscn1

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1nccs1

O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)c1ccccn1

O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCC1)c1ccccn1

O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccccn1

O=C(Nc1ccc(cc1)S(=O)(=O)NCC1CC1)c1ccccn1

O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccn1

O=C(Nc1ccc2OCOc2c1)c1ccccn1

O=C(Nc1ccc2c(OC3CCOCC3)nccc2c1)c1ccccn1

O=C(Nc1ccc2c(OC3CCSC3)nccc2c1)c1ccccn1

O=C(Nc1ccc2c(OCC3CCCCO3)nccc2c1)c1ccccn1

O=C(Nc1ccc2c(OCC3CCOC3)n[nH]c2c1)c1ccccn1

O=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ccccn1

O=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ccncn1

O=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ccsn1

O=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ncc[nH]1

O=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1nccs1

O=C(Nc1ccc2c(OCC3CCOCC3)nccc2c1)c1ccccn1

O=C(Nc1ccc2c(OC[C@@H]3CCOC3)n[nH]c2c1)c1ccccn1 |r|

O=C(Nc1ccc2c(OC[C@H]3CCOC3)n[nH]c2c1)c1ccccn1 |r|

O=C(Nc1cccc(c1)C#N)c1ccccn1

O=C(Nc1cnc2c(OCC3CCOCC3)nccc2c1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccc(cc1)N1CCOCC1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2OCCCOc2c1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2OCCOc2c1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2OCOc2c1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2occc2c1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccco1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccoc1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1ccsc1)c1ccccn1

O=C(Nc1cnn(c1)S(=O)(=O)c1cnc2ccccc2c1)c1ccccn1

O=C(Nc1ncc(SCc2ccccc2)s1)c1ccccn1

O=C(Nc1nnc(s1)S(=O)(=O)Cc1ccccc1)c1ccccn1

O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCCC1

O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCCCC1

O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCOCC1

O=C1CCCc2nc(sc12)C#Cc1ccccc1

O=C1CCOc2cc(COc3ccccc3)ccc12

O=C1CCOc2cc(OCc3ccccc3)ccc12

O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |r|

O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|

O=S1(=O)N(c2ccc(NC3(CC3)c3ccccn3)cc2)S(=O)(=O)c2ccccc12

O=S1(=O)N(c2ccc(NCc3ccccn3)cc2)S(=O)(=O)c2ccccc12

O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=c1n(CC2CCC2)ccc2cc(Nc3n[nH]c4cccnc34)ccc12

O=c1n(ccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CCCC1

OC(=O)C(=N)CCP(O)(O)CCP(O)(O)=O

OC(=O)C(NCc1ccccc1)c1cc(=O)[nH]o1

OC(=O)CCP(O)(=O)CCC(=N)C(O)=O

OC(=O)C[C@H]1CN[C@@H]1C(O)=O

OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r,c:5|

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1 |r|

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 |r|

OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1

OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1

OCCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

OCc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1

OCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F

OCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

O\N=c1/cc(\C=C\c2ccccc2)oc2ccccc12

O\N=c1/cc(oc2cc(Br)ccc12)-c1cc2ccccc2cn1

O\N=c1/cc(oc2cc(CCc3ccccc3)ccc12)-c1cc2ccccc2cn1

O\N=c1/cc(oc2ccc(Br)cc12)-c1cc2ccccc2cn1

O\N=c1/cc(oc2ccc(CCCN3CCC(F)(F)C3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(CCCN3CCC(F)(F)CC3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(CCCN3CCOCC3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(NC3CCN(CC3)c3ccncn3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(OC(F)(F)F)cc12)-c1cc2ccccc2cn1

O\N=c1/cc(oc2ccc(OC3CN(C3)c3cccnc3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(OCCCc3cccnc3)cc12)-c1cc2cccn2cn1

O\N=c1/cc(oc2ccc(OCCN3CCC(F)(F)CC3)cc12)-c1cc2cccn2cn1

O\N=c1/cc(oc2ccc(OCCN3CCC(F)(F)CC3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(OCCN3CCCC3)cc12)-c1cc2cccn2cn1

O\N=c1/cc(oc2ccc(OCCN3CCOCC3)cc12)-c1cc2cccn2cn1

O\N=c1/cc(oc2ccc(OCCN3CCOCC3)cc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccc(O[C@@H]3CCN(C3)c3ccncn3)cc12)-c1cc2sccc2cn1 |r|

O\N=c1/cc(oc2ccc(cc12)C(F)(F)F)-c1cc2ccccc2cn1

O\N=c1/cc(oc2ccc(cc12)C1CC1)-c1cc2ccccc2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2cc[nH]c2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2ccccc2[nH]1

O\N=c1/cc(oc2ccccc12)-c1cc2ccccc2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2ccccc2o1

O\N=c1/cc(oc2ccccc12)-c1cc2cccn2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2ccsc2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2cnccc2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2ncccc2cn1

O\N=c1/cc(oc2ccccc12)-c1cc2sccc2cn1

O\N=c1/cc(oc2ccccc12)-c1ccc2ncccc2c1

O\N=c1/cc(oc2ccccc12)-c1cn2cccc2cn1

O\N=c1/cc(oc2ccccc12)-c1cnc2ccccc2c1

Oc1c2CCCCc2c(O)n1-c1cc(Cl)cc(Cl)c1

Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(.26,-21.79,;1.4,-22.83,;2.91,-22.53,;3.69,-21.21,;5.21,-21.22,;5.97,-22.56,;5.19,-23.88,;3.66,-23.86,;2.63,-25,;2.94,-26.51,;1.23,-24.36,;-.09,-25.16,;-1.43,-24.42,;-2.75,-25.21,;-2.73,-26.75,;-4.05,-27.54,;-5.4,-26.79,;-5.42,-25.25,;-6.72,-27.59,;-6.69,-29.12,;-8,-29.92,;-9.36,-29.17,;-9.38,-27.63,;-8.06,-26.84,;-1.38,-27.5,;-.06,-26.71,;1.29,-27.46,)|

Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(7.68,2.7,;7.2,1.24,;5.75,.77,;4.41,1.54,;3.08,.77,;3.08,-.77,;4.41,-1.54,;5.75,-.77,;7.2,-1.24,;7.68,-2.7,;8.1,,;9.64,,;10.41,1.33,;11.95,1.33,;12.72,,;14.26,,;15.03,1.33,;14.26,2.67,;16.57,1.33,;17.34,2.67,;18.88,2.67,;19.65,1.33,;18.88,,;17.34,,;11.95,-1.33,;10.41,-1.33,;9.64,-2.67,)|

Oc1c2[C@H]3CC[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wD:3.2,6.9,c:7,THB:1:2:4.5:7.8,10:9:4.5:7.8,(26.53,-38.31,;26.23,-36.8,;27.26,-35.66,;28.79,-35.68,;29.57,-34.36,;28.81,-33.02,;27.28,-33.01,;27.27,-34.55,;28.76,-34.14,;26.51,-34.33,;24.99,-34.63,;23.86,-33.59,;24.83,-36.16,;23.51,-36.96,;22.16,-36.22,;20.85,-37.01,;20.87,-38.55,;19.55,-39.35,;18.2,-38.6,;18.18,-37.06,;16.88,-39.39,;16.91,-40.92,;15.59,-41.72,;14.24,-40.97,;14.21,-39.43,;15.53,-38.64,;22.22,-39.3,;23.54,-38.51,;24.89,-39.26,)|

Oc1c2[C@H]3CC[C@H](O3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:6.6,3.7,(26.11,-24.74,;25.8,-23.23,;26.83,-22.09,;28.36,-22.11,;29.14,-20.79,;28.38,-19.45,;26.86,-19.44,;26.84,-20.97,;26.08,-20.75,;24.57,-21.05,;23.43,-20.01,;24.4,-22.59,;23.08,-23.39,;21.73,-22.64,;20.42,-23.44,;20.44,-24.98,;19.12,-25.77,;17.77,-25.02,;17.75,-23.48,;16.45,-25.81,;16.48,-27.35,;15.16,-28.15,;13.81,-27.4,;13.79,-25.85,;15.11,-25.06,;21.79,-25.73,;23.11,-24.94,;24.46,-25.68,)|

Oc1c2[C@H]3CC[C@H](O3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |wU:3.7,wD:6.6,TLB:9:8:7:5.4,THB:1:2:7:5.4,(10.27,3.88,;9.13,2.85,;7.63,3.17,;3.79,4.86,;.97,3.69,;1.37,2.21,;4.19,3.38,;4.93,6.38,;6.86,1.84,;7.89,.7,;7.57,-.81,;9.29,1.32,;10.62,.55,;10.62,-.99,;11.95,-1.76,;13.29,-.99,;14.62,-1.76,;14.62,-3.3,;13.29,-4.07,;15.95,-4.07,;17.29,-3.3,;18.62,-4.07,;18.62,-5.61,;17.29,-6.38,;15.95,-5.61,;13.29,.55,;11.95,1.32,;11.95,2.86,)|

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|

Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|

Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1

Oc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

Oc1ccc(Nc2n[nH]c3cccnc23)cc1F

Oc1ccc(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(3.08,5.02,;4.54,5.5,;5.02,6.96,;6.56,6.96,;7.04,5.5,;8.5,5.02,;5.79,4.59,;5.79,3.05,;7.12,2.28,;7.12,.74,;5.79,-.03,;5.79,-1.57,;7.12,-2.34,;8.46,-1.57,;7.12,-3.88,;5.79,-4.65,;5.79,-6.19,;7.12,-6.96,;8.46,-6.19,;8.46,-4.65,;4.46,.74,;4.46,2.28,;3.12,3.05,)|

Oc1ccc(nc1)C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1

Oc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1

Oc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3)nccc2c1

Oc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3F)nccc2c1

Oc1cccnc1C(=O)Nc1ccc2c(OCC3CCOC3)nccc2c1

Oc1cccnc1C(=O)Nc1ccc2c(OCC3CCOCC3)ncc(F)c2c1

Oc1cccnc1C(=O)Nc1ccc2c(OCC3COCCO3)ncc(F)c2c1

Oc1cccnc1C(=O)Nc1ccc2c(O[C@H]3CCOC3)nccc2c1 |r|

Oc1cnc(c2ccc(Nc3n[nH]c4cccnc34)cc12)C(F)(F)F

S=c1nccc(C=Cc2ccccc2)[nH]1 |w:7.7|

[2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1

[2H]C([2H])([2H])Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N

[H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|

[H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|

[H][C@@]12C(C(=O)N(C1=O)c1ccc(NC(=O)c3ccccn3)cc1Cl)[C@@]1([H])CC[C@]2([H])C=C1 |c:34,TLB:6:1:27.26:30.31,THB:3:2:27.26:30.31|

[H][C@@]12CC[C@@]([H])(C=C1c1ccc3n(CC(C)(C)C)c(=O)n(C)c3n1)N(C2)C(=O)c1ccon1 |r,c:6|

[H][C@@]12CC[C@@]([H])(CN1C(=O)c1ccon1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|

[H][C@@]12CC[C@@]([H])(CN1C(=O)c1csnn1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|

[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|

[H][C@@]12C[C@@]1(Oc1ccccc1\C2=N\O)C(=O)Nc1ccccc1 |r|

[H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|

[H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|

[H][C@]12C[C@]([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |r,c:5|

[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(OC)c1)C(O)=O |r|

[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|

[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[Na;v0+].[#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2ccccn2)ccc1-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c2ccc(cc2-[#6](-[#8-])=O)-c2cccc(-[#6]-[#8]-c3cc4-[#6]-[#6](-[#6]-5-[#6]-[#6]-[#6]-[#6]-5)-[#6](=O)-c4c(-[#6])c3-[#6])c2)cc1Cl

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccnc2)s1

c1cc2c(ccnc2[nH]1)-c1cnn(c1)-c1ccccc1

c1csc(c1)-n1cc(cn1)-c1ccnc2ccccc12

c1n[nH]cc1-c1ccnc2ccccc12

c1nn(cc1-c1c[nH]c2ccccc12)-c1ccccc1

c1nn(cc1-c1ccnc2ccccc12)-c1ccccc1

c1nn(cc1-c1ccnc2ccccc12)-c1ccccn1

c1nn(cc1-c1ccncc1)-c1ccccc1

c1nn(cc1-c1n[nH]c2ccccc12)-c1ccccc1

c1nn(cc1-c1ncnc2ccccc12)-c1ccccc1