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stringlengths 47
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| first_mask_count
int64 0
16
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int64 0
157
| first_mask_gen_count
int64 1
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 10
174
| original_smiles
stringlengths 10
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<|startoftext|><L>CN(CC(=O)Nc1cccc(F)c1)C(=O)[C<mask_1:4>C=CCC1<mask_1:4> | 6 | 29 | 4 | @@H]1C | 4 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1C=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | @H]1 |
<|startoftext|><L>CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H<mask_1:6>CCC1<mask_1:6> | 5 | 32 | 6 | ]1CC= | 6 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H](N)C1CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | ](N)C1 |
<|startoftext|><L>CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CC<mask_1:3>C1<mask_1:3> | 0 | 39 | 3 | 3 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC=CC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | C=C |
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<|startoftext|><L>CN(CC(=O)Nc1cccc(F)c1)C(=<mask_1:6>@H]1CC=CCC1<mask_1:6> | 5 | 25 | 6 | O)[C@ | 6 | CN(CC(=O)Nc1cccc(F)c1)C(=O)CC[C@H]1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | O)CC[C |
<|startoftext|><L>CN(CC(=O)Nc1cccc(<mask_1:3>F)c1)C(=O)[C@@H]1CC=CCC1<mask_1:3> | 0 | 17 | 3 | 3 | CN(CC(=O)Nc1cccc(OCCF)c1)C(=O)[C@@H]1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | OCC |
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<|startoftext|><L>CN(CC(=O)Nc1cccc(F)c1)<mask_1:4>O)[C@@H]1CC=CCC1<mask_1:4> | 3 | 22 | 4 | C(= | 4 | CN(CC(=O)Nc1cccc(F)c1)CC(=O)[C@@H]1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | CC(= |
<|startoftext|><L>CN(CC(=O)Nc1cccc(F)c1)C(=O)<mask_1:4>1CC=CCC1<mask_1:4> | 6 | 27 | 4 | [C@@H] | 4 | CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCN1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | CCCN |
<|startoftext|><L>CN(CC(=O)<mask_1:5>1cccc(F)c1)C(=O)[C@@H]1CC=CCC1<mask_1:5> | 2 | 9 | 5 | Nc | 5 | CN(CC(=O)NCCCc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | NCCCc |
<|startoftext|><L>CN(CC(=O)Nc1cccc(F)<mask_1:3>=O)[C@@H]1CC=CCC1<mask_1:3> | 5 | 19 | 3 | c1)C( | 3 | CN(CC(=O)Nc1cccc(F)c1C=O)[C@@H]1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | c1C |
<|startoftext|><L>C<mask_1:2>C(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1<mask_1:2> | 3 | 1 | 2 | N(C | 2 | CN(C(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC=CCC1 | N( |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc<mask_1:11>)C(=O)[C@H]2[C@H]2CCCN21<mask_1:11> | 10 | 44 | 11 | c4ccccc4c3 | 11 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3C)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | c4ccccc4c3C |
<|startoftext|><L>Cc1ccc2c<mask_1:8>)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21<mask_1:8> | 4 | 8 | 8 | (c1C | 8 | Cc1ccc2c(c1)C(=O)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | (c1)C(=O |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(<mask_1:6>O)[C@H]2[C@H]2CCCN21<mask_1:6> | 1 | 57 | 6 | = | 6 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | =O)C(= |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]<mask_1:4>CCN21<mask_1:4> | 8 | 65 | 4 | 2[C@H]2C | 4 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2N2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | 2N2C |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)<mask_1:4>21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21<mask_1:4> | 5 | 19 | 4 | [C@@] | 4 | Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | [C@] |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H<mask_1:5>C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21<mask_1:5> | 2 | 31 | 5 | ]2 | 5 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C=CC(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | ]2C=C |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3<mask_1:1>[C@H]2[C@H]2CCCN21<mask_1:1> | 6 | 54 | 1 | )C(=O) | 1 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | ) |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=<mask_1:4>]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21<mask_1:4> | 6 | 17 | 4 | O)[C@@ | 4 | Cc1ccc2c(c1C)NC(=O)[C]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | O)[C |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=<mask_1:1>c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21<mask_1:1> | 4 | 36 | 1 | O)N( | 1 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=Nc3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | N |
<|startoftext|><L>Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c<mask_1:5>]2[C@H]2CCCN21<mask_1:5> | 11 | 53 | 5 | 3)C(=O)[C@H | 5 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)[C@]2[C@H]2CCCN21 | Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCCN21 | 3)[C@ |
<|startoftext|><L>CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=<mask_1:3>NC(=O)NC3=O)cc2Cl)cc1<mask_1:3> | 2 | 33 | 3 | O) | 3 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NNC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | O)N |
<|startoftext|><L>CC(C)(C)c1ccc(C(=O)<mask_1:6>c(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:6> | 5 | 19 | 6 | Oc2cc | 6 | CC(C)(C)c1ccc(C(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | COc2cc |
<|startoftext|><L>CC(C)(C)c1ccc(C(=O<mask_1:3>ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:3> | 4 | 18 | 3 | )Oc2 | 3 | CC(C)(C)c1ccc(C(=O)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | )c2 |
<|startoftext|><L>CC(C)(C)<mask_1:3>1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:3> | 1 | 8 | 3 | c | 3 | CC(C)(C)COc1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | COc |
<|startoftext|><L>CC(C)(C)c1<mask_1:8>=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:8> | 6 | 10 | 8 | ccc(C( | 8 | CC(C)(C)c1ccc(OCC(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | ccc(OCC( |
<|startoftext|><L>CC(C)(<mask_1:7>C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:7> | 8 | 6 | 7 | C)c1ccc( | 8 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | C)c1ccc( |
<|startoftext|><L>CC(C)<mask_1:7>C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:7> | 1 | 5 | 7 | ( | 7 | CC(C)[C@@H](C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | [C@@H]( |
<|startoftext|><L>CC(C)(C)c1cc<mask_1:6>c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:6> | 8 | 12 | 6 | c(C(=O)O | 6 | CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | c(OCCO |
<|startoftext|><L>CC(C)(C)c1ccc(C(=O)Oc2ccc(C<mask_1:5>)NC(=O)NC3=O)cc2Cl)cc1<mask_1:5> | 7 | 27 | 5 | =C3C(=O | 5 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C3=C(C)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | 3=C(C |
<|startoftext|><L>CC(C)<mask_1:5>c(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1<mask_1:5> | 7 | 5 | 5 | (C)c1cc | 5 | CC(C)Oc1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 | Oc1cc |
<|startoftext|><L>COC(=O)c1cc(<mask_1:7>(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1<mask_1:7> | 5 | 12 | 7 | OC)cc | 7 | COC(=O)c1cc(C)c(C)c(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | C)c(C)c |
<|startoftext|><L>COC(=O)c1cc(OC)cc(C(=O)<mask_1:4>2CCCC[C@H]2CCNC(C)=O)c1<mask_1:4> | 1 | 23 | 4 | N | 4 | COC(=O)c1cc(OC)cc(C(=O)NCCN2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | NCCN |
<|startoftext|><L>COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCN<mask_1:5>(C)=O)c1<mask_1:5> | 1 | 38 | 5 | C | 5 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNS(C)C(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | S(C)C |
<|startoftext|><L>COC(=O<mask_1:7>(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1<mask_1:7> | 5 | 6 | 7 | )c1cc | 7 | COC(=O)COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | )COc1cc |
<|startoftext|><L>COC(=O)c1cc(OC)cc(C(<mask_1:5>N2CCCC[C@H]2CCNC(C)=O)c1<mask_1:5> | 3 | 20 | 5 | =O) | 5 | COC(=O)c1cc(OC)cc(C(=O)NCN2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | =O)NC |
<|startoftext|><L>COC(=O)c1c<mask_1:7>OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1<mask_1:7> | 2 | 10 | 7 | c( | 7 | COC(=O)c1cc(C(=O)OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | c(C(=O) |
<|startoftext|><L>COC(=<mask_1:7>c(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1<mask_1:7> | 5 | 5 | 7 | O)c1c | 7 | COC(=O)COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | O)COc1c |
<|startoftext|><L>COC(=O)c1cc(OC)cc(<mask_1:6>O)N2CCCC[C@H]2CCNC(C)=O)c1<mask_1:6> | 3 | 18 | 6 | C(= | 6 | COC(=O)c1cc(OC)cc(S(=O)(O)N2CCCC[C@H]2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | S(=O)( |
<|startoftext|><L>COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2C<mask_1:4>NC(C)=O)c1<mask_1:4> | 1 | 36 | 4 | C | 4 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2C(=O)NC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | (=O) |
<|startoftext|><L>COC(=O)c1cc(OC)cc(C(=O)N2CCC<mask_1:5>CCNC(C)=O)c1<mask_1:5> | 7 | 28 | 5 | C[C@H]2 | 5 | COC(=O)c1cc(OC)cc(C(=O)N2CCCCCCC2CCNC(C)=O)c1 | COC(=O)c1cc(OC)cc(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 | CCCC2 |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@<mask_1:5>O)C2)s1<mask_1:5> | 3 | 33 | 5 | H]( | 5 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](CCO)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | H](CC |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2<mask_1:2>CC[C@H](N)[C@@H](O)C2)s1<mask_1:2> | 0 | 19 | 2 | 2 | Cc1ccccc1-c1ncc(CN2CCCC[C@H](N)[C@@H](O)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | CC |
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<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2<mask_1:6>s1<mask_1:6> | 1 | 40 | 6 | ) | 6 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)c(=O)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | )c(=O) |
<|startoftext|><L>Cc1ccccc<mask_1:2>-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1<mask_1:2> | 1 | 8 | 2 | 1 | 2 | Cc1ccccc1C-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | 1C |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](N)<mask_1:2>](O)C2)s1<mask_1:2> | 5 | 29 | 2 | [C@@H | 2 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C](O)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | [C |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C<mask_1:4>1<mask_1:4> | 3 | 39 | 4 | 2)s | 4 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)cn1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | 2)cn |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](<mask_1:6>@H](O)C2)s1<mask_1:6> | 5 | 27 | 6 | N)[C@ | 6 | Cc1ccccc1-c1ncc(CN2CC[C@H](CO)[C@@H](O)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | CO)[C@ |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@<mask_1:6>O)C2)s1<mask_1:6> | 4 | 32 | 6 | @H]( | 6 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@H](CCCO)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | H](CCC |
<|startoftext|><L>Cc1ccccc1-c1ncc(CN2CC[C@H](<mask_1:6>@H](O)C2)s1<mask_1:6> | 5 | 27 | 6 | N)[C@ | 6 | Cc1ccccc1-c1ncc(CN2CC[C@H](CO)[C@@H](O)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | CO)[C@ |
<|startoftext|><L>Cc1ccccc<mask_1:4>1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1<mask_1:4> | 3 | 8 | 4 | 1-c | 4 | Cc1ccccc1CCc1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | Cc1ccccc1-c1ncc(CN2CC[C@H](N)[C@@H](O)C2)s1 | 1CCc |
<|startoftext|><L>O=<mask_1:4>Cc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:4> | 3 | 2 | 4 | C(C | 4 | O=C(NCCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | C(NC |
<|startoftext|><L>O=C(CCc1<mask_1:5>O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:5> | 4 | 8 | 5 | ccc( | 5 | O=C(CCc1ccc(CO)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | ccc(C |
<|startoftext|><L>O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O<mask_1:3>)C1<mask_1:3> | 0 | 45 | 3 | 3 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](OCCO)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | CCO |
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<|startoftext|><L>O=C(CCc1c<mask_1:6>O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:6> | 3 | 9 | 6 | cc( | 6 | O=C(CCc1ccc(OCCO)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | cc(OCC |
<|startoftext|><L>O=C(CCc1c<mask_1:3>1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:3> | 7 | 9 | 3 | cc(O)cc | 3 | O=C(CCc1ccsc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | csc |
<|startoftext|><L>O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[<mask_1:6>@H](O)C1<mask_1:6> | 1 | 39 | 6 | C | 6 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H][C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | C@H][C |
<|startoftext|><L>O=C(<mask_1:7>c(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:7> | 6 | 4 | 7 | CCc1cc | 7 | O=C(CCCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | CCCc1cc |
<|startoftext|><L>O<mask_1:7>C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:7> | 1 | 1 | 7 | = | 7 | O=C(O)CCC(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | =C(O)CC |
<|startoftext|><L>O=C(C<mask_1:7>c1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:7> | 1 | 5 | 7 | C | 7 | O=C(COC(=O)Cc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | OC(=O)C |
<|startoftext|><L>O=C(CCc1ccc(O)cc<mask_1:5>N1C[C@@H](Cc2cnccn2)[C@H](O)C1<mask_1:5> | 2 | 16 | 5 | 1) | 5 | O=C(CCc1ccc(O)cc1Cl)NN1C[C@@H](Cc2cnccn2)[C@H](O)C1 | O=C(CCc1ccc(O)cc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 | 1Cl)N |
<|startoftext|><L>C[C@H](Oc1cccc2c1<mask_1:6>C2=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:6> | 2 | 17 | 6 | CC | 6 | C[C@H](Oc1cccc2c1CCC(O)C2=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | CCC(O) |
<|startoftext|><L>C[C@H](<mask_1:3>Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:3> | 0 | 7 | 3 | 3 | C[C@H](NCCOc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | NCC |
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<|startoftext|><L>C[C@H](Oc1cccc2c1CCC2<mask_1:4>C(=O)Nc1ccc(F)c(F)c1<mask_1:4> | 3 | 21 | 4 | =O) | 4 | C[C@H](Oc1cccc2c1CCC2=O)NC(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | =O)N |
<|startoftext|><L>C<mask_1:5>H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:5> | 3 | 1 | 5 | [C@ | 5 | CC[C@@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@@ |
<|startoftext|><L>C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c<mask_1:6>)c1<mask_1:6> | 2 | 39 | 6 | (F | 6 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(C(F)F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | (C(F)F |
<|startoftext|><L>C[C@H](Oc1cccc2c1CC<mask_1:6>=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:6> | 2 | 19 | 6 | C2 | 6 | C[C@H](Oc1cccc2c1CCCC2)C(=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | CC2)C( |
<|startoftext|><L>C[C@H](Oc1cccc2c1C<mask_1:1>CC2=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:1> | 0 | 18 | 1 | 1 | C[C@H](Oc1cccc2c1CCCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C |
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<|startoftext|><L>C[C@H](Oc1cccc2c1CCC<mask_1:5>=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:5> | 1 | 20 | 5 | 2 | 5 | C[C@H](Oc1cccc2c1CCCC2)C(=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C2)C( |
<|startoftext|><L>C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc<mask_1:5>)c(F)c1<mask_1:5> | 6 | 31 | 5 | 1ccc(F | 5 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1sc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | 1sc(F |
<|startoftext|><L>C[C@<mask_1:2>Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1<mask_1:2> | 3 | 4 | 2 | H]( | 2 | C[C@](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(F)c(F)c1 | ]( |
<|startoftext|><L><mask_1:3>c1nc(F)c(F)c(C#Cc2ccccc2)c1F<mask_1:3> | 1 | 0 | 3 | F | 3 | O=Cc1nc(F)c(F)c(C#Cc2ccccc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | O=C |
<|startoftext|><L>Fc1nc(F)c(F)c(C#Cc2ccccc<mask_1:2>)c1F<mask_1:2> | 1 | 24 | 2 | 2 | 2 | Fc1nc(F)c(F)c(C#Cc2ccccc2F)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | 2F |
<|startoftext|><L>Fc1nc(F)c(F)c(C#Cc2ccccc2<mask_1:1>)c1F<mask_1:1> | 0 | 25 | 1 | 1 | Fc1nc(F)c(F)c(C#Cc2ccccc2F)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | F |
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<|startoftext|><L>Fc1nc(F)c(F)c(C#Cc2ccc<mask_1:3>cc2)c1F<mask_1:3> | 0 | 22 | 3 | 3 | Fc1nc(F)c(F)c(C#Cc2ccc(F)cc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | (F) |
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<|startoftext|><L>Fc1nc(F)c(F<mask_1:4>C#Cc2ccccc2)c1F<mask_1:4> | 3 | 11 | 4 | )c( | 4 | Fc1nc(F)c(F)c(NC#Cc2ccccc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | )c(N |
<|startoftext|><L>Fc1nc(F)c(F)c(C<mask_1:2>Cc2ccccc2)c1F<mask_1:2> | 1 | 15 | 2 | # | 2 | Fc1nc(F)c(F)c(CNCCc2ccccc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | NC |
<|startoftext|><L>Fc1nc(F)c(F)c(C#Cc2ccc<mask_1:2>)c1F<mask_1:2> | 3 | 22 | 2 | cc2 | 2 | Fc1nc(F)c(F)c(C#Cc2ccco2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | o2 |
<|startoftext|><L>Fc1nc(F)c(F)c(<mask_1:4>Cc2ccccc2)c1F<mask_1:4> | 2 | 14 | 4 | C# | 4 | Fc1nc(F)c(F)c(N(C)Cc2ccccc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | N(C) |
<|startoftext|><L>Fc1nc(F)c(<mask_1:2>(C#Cc2ccccc2)c1F<mask_1:2> | 3 | 10 | 2 | F)c | 2 | Fc1nc(F)c(F)(C#Cc2ccccc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | F) |
<|startoftext|><L>Fc1nc(F)c(F)c(C#Cc2<mask_1:2>ccccc2)c1F<mask_1:2> | 0 | 19 | 2 | 2 | Fc1nc(F)c(F)c(C#Cc2ccccccc2)c1F | Fc1nc(F)c(F)c(C#Cc2ccccc2)c1F | cc |
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<|startoftext|><L>COc1cc(-c2n<mask_1:3>3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F<mask_1:3> | 4 | 11 | 3 | c(CN | 3 | COc1cc(-c2nc(N3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | c(N |
<|startoftext|><L>COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc<mask_1:3>F<mask_1:3> | 1 | 46 | 3 | 1 | 3 | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1OCF | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | 1OC |
<|startoftext|><L>COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)<mask_1:6>C)o2)ccc1F<mask_1:6> | 2 | 36 | 6 | c( | 6 | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C(C)C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | c(C(C) |
<|startoftext|><L>COc1cc(<mask_1:6>N3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F<mask_1:6> | 7 | 7 | 6 | -c2nc(C | 6 | COc1cc(-c2nc(N3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | -c2nc( |
<|startoftext|><L>COc1cc(-c2nc(CN<mask_1:1>3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F<mask_1:1> | 0 | 15 | 1 | 1 | COc1cc(-c2nc(CNC3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | C |
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<|startoftext|><L>COc1cc(-<mask_1:4>nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F<mask_1:4> | 2 | 8 | 4 | c2 | 4 | COc1cc(-c2ncnc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | c2nc |
<|startoftext|><L>COc1cc(-c2nc(CN3CCC(Oc4<mask_1:6>c4OC)CC3)c(C)o2)ccc1F<mask_1:6> | 4 | 23 | 6 | cccc | 6 | COc1cc(-c2nc(CN3CCC(Oc4nc(C)sc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | nc(C)s |
<|startoftext|><L><mask_1:3>c(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F<mask_1:3> | 5 | 0 | 3 | COc1c | 3 | c1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | c1c |
<|startoftext|><L>COc1cc(-c2nc(CN3CCC<mask_1:4>Oc4ccccc4OC)CC3)c(C)o2)ccc1F<mask_1:4> | 1 | 19 | 4 | ( | 4 | COc1cc(-c2nc(CN3CCC(O)(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | (O)( |
<|startoftext|><L>COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2<mask_1:1>1F<mask_1:1> | 4 | 42 | 1 | )ccc | 1 | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)1F | COc1cc(-c2nc(CN3CCC(Oc4ccccc4OC)CC3)c(C)o2)ccc1F | ) |
<|startoftext|><L>COc<mask_1:3>cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21<mask_1:3> | 7 | 3 | 3 | 1ccc(F) | 3 | COc1sccc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | 1sc |
<|startoftext|><L>COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2<mask_1:2>c3ccccn3)C[C@@H]21<mask_1:2> | 3 | 32 | 2 | CN( | 2 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2N(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | N( |
<|startoftext|><L>COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C<mask_1:2>]21<mask_1:2> | 3 | 47 | 2 | @@H | 2 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | @H |
<|startoftext|><L>COc1ccc(F)<mask_1:5>c1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21<mask_1:5> | 1 | 10 | 5 | c | 5 | COc1ccc(F)c(Cl)c1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | c(Cl) |
<|startoftext|><L>COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[<mask_1:5>]21<mask_1:5> | 4 | 46 | 5 | C@@H | 4 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | C@@H |
<|startoftext|><L>CO<mask_1:4>ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21<mask_1:4> | 2 | 2 | 4 | c1 | 4 | COCOc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1 |
<|startoftext|><L>COc1cc<mask_1:4>c(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21<mask_1:4> | 0 | 6 | 4 | 4 | COc1cc(Cl)c(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | (Cl) |
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<|startoftext|><L>COc1ccc(F)cc1S(=O)(=O)N1CC<mask_1:7>CN(c3ccccn3)C[C@@H]21<mask_1:7> | 6 | 26 | 7 | [C@H]2 | 7 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | [C@@H]2 |
<|startoftext|><L>COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]<mask_1:5>CN(c3ccccn3)C[C@@H]21<mask_1:5> | 1 | 31 | 5 | 2 | 5 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2OCCCCN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | 2OCCC |
<|startoftext|><L>COc1ccc(F)cc1S(=O)(=O)N<mask_1:4>CC[C@H]2CN(c3ccccn3)C[C@@H]21<mask_1:4> | 1 | 23 | 4 | 1 | 4 | COc1ccc(F)cc1S(=O)(=O)N1CCNCC[C@H]2CN(c3ccccn3)C[C@@H]21 | COc1ccc(F)cc1S(=O)(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 | 1CCN |