smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)C[NH+]1CCN(Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000027560344 375157337 /nfs/dbraw/zinc/15/73/37/375157337.db2.gz NPMRUYKMWOBIAV-UHFFFAOYSA-N 1 2 334.428 -1.060 20 30 EAEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000027723964 375187310 /nfs/dbraw/zinc/18/73/10/375187310.db2.gz ZNQJOQWOZSOFMU-LLVKDONJSA-N 1 2 331.380 -1.039 20 30 EAEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000027723971 375187439 /nfs/dbraw/zinc/18/74/39/375187439.db2.gz ZNQJOQWOZSOFMU-NSHDSACASA-N 1 2 331.380 -1.039 20 30 EAEDLO CC(C)NC(=O)C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000028753624 375157053 /nfs/dbraw/zinc/15/70/53/375157053.db2.gz TXOXTLRPSXOSTN-UHFFFAOYSA-N 1 2 348.407 -1.398 20 30 EAEDLO C=CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000042925355 375158751 /nfs/dbraw/zinc/15/87/51/375158751.db2.gz 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C=CCn1cc(CNc2nc(NCCO)[nH+]c(NC(C)C)n2)nn1 ZINC000425265173 374830580 /nfs/dbraw/zinc/83/05/80/374830580.db2.gz TVONDWAZEUAVSY-UHFFFAOYSA-N 1 2 333.400 -1.249 20 30 EAEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cn1cnc(C#N)n1 ZINC000426589470 267363362 /nfs/dbraw/zinc/36/33/62/267363362.db2.gz XPGQADVIMABDPM-UHFFFAOYSA-N 1 2 336.352 -1.516 20 30 EAEDLO N#Cc1ncn(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000426725447 265090637 /nfs/dbraw/zinc/09/06/37/265090637.db2.gz CBERNGUGUHRYMX-GFCCVEGCSA-N 1 2 347.379 -1.801 20 30 EAEDLO N#Cc1ncn(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000426725448 415308829 /nfs/dbraw/zinc/30/88/29/415308829.db2.gz CBERNGUGUHRYMX-LBPRGKRZSA-N 1 2 347.379 -1.801 20 30 EAEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)nn1CCC#N ZINC000427017353 415395146 /nfs/dbraw/zinc/39/51/46/415395146.db2.gz SGGSIPKURXHYIC-ZDUSSCGKSA-N 1 2 348.407 -0.431 20 30 EAEDLO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nn1CCC#N ZINC000427406340 415396220 /nfs/dbraw/zinc/39/62/20/415396220.db2.gz PEJZMCXNGGOVSH-CYBMUJFWSA-N 1 2 348.407 -0.431 20 30 EAEDLO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)nn1CCC#N ZINC000427406340 415396212 /nfs/dbraw/zinc/39/62/12/415396212.db2.gz PEJZMCXNGGOVSH-CYBMUJFWSA-N 1 2 348.407 -0.431 20 30 EAEDLO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nn1CCC#N ZINC000427406341 415398655 /nfs/dbraw/zinc/39/86/55/415398655.db2.gz PEJZMCXNGGOVSH-ZDUSSCGKSA-N 1 2 348.407 -0.431 20 30 EAEDLO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nn1CCC#N ZINC000427406341 415398650 /nfs/dbraw/zinc/39/86/50/415398650.db2.gz PEJZMCXNGGOVSH-ZDUSSCGKSA-N 1 2 348.407 -0.431 20 30 EAEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1CCO ZINC000427426631 415438751 /nfs/dbraw/zinc/43/87/51/415438751.db2.gz CYUVCOVMLHSSFE-GFCCVEGCSA-N 1 2 334.380 -0.740 20 30 EAEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1CCO ZINC000427426631 415438723 /nfs/dbraw/zinc/43/87/23/415438723.db2.gz CYUVCOVMLHSSFE-GFCCVEGCSA-N 1 2 334.380 -0.740 20 30 EAEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1CCO ZINC000427426632 415387415 /nfs/dbraw/zinc/38/74/15/415387415.db2.gz CYUVCOVMLHSSFE-LBPRGKRZSA-N 1 2 334.380 -0.740 20 30 EAEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1CCO ZINC000427426632 415387410 /nfs/dbraw/zinc/38/74/10/415387410.db2.gz CYUVCOVMLHSSFE-LBPRGKRZSA-N 1 2 334.380 -0.740 20 30 EAEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)nn1CCC#N ZINC000445167748 415397721 /nfs/dbraw/zinc/39/77/21/415397721.db2.gz SGGSIPKURXHYIC-CYBMUJFWSA-N 1 2 348.407 -0.431 20 30 EAEDLO C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000459883914 374950611 /nfs/dbraw/zinc/95/06/11/374950611.db2.gz JTQVXXHQHITFLE-UHFFFAOYSA-N 1 2 337.424 -1.793 20 30 EAEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000488084813 374958890 /nfs/dbraw/zinc/95/88/90/374958890.db2.gz DDRALBPUKOOSAU-GFCCVEGCSA-N 1 2 332.426 -1.001 20 30 EAEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000488084813 374958882 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C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001043649127 673635045 /nfs/dbraw/zinc/63/50/45/673635045.db2.gz LXBHPCMNOYCUDZ-AWEZNQCLSA-N 1 2 345.403 -1.330 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001043649127 673635044 /nfs/dbraw/zinc/63/50/44/673635044.db2.gz LXBHPCMNOYCUDZ-AWEZNQCLSA-N 1 2 345.403 -1.330 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2csnn2)C1 ZINC001043649158 673635082 /nfs/dbraw/zinc/63/50/82/673635082.db2.gz MSPCZZAUKSAHAJ-LBPRGKRZSA-N 1 2 349.416 -1.061 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2csnn2)C1 ZINC001043649158 673635080 /nfs/dbraw/zinc/63/50/80/673635080.db2.gz MSPCZZAUKSAHAJ-LBPRGKRZSA-N 1 2 349.416 -1.061 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001043649164 673635107 /nfs/dbraw/zinc/63/51/07/673635107.db2.gz MSZNTLOYQWJBPE-LBPRGKRZSA-N 1 2 347.379 -2.540 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001043649164 673635105 /nfs/dbraw/zinc/63/51/05/673635105.db2.gz MSZNTLOYQWJBPE-LBPRGKRZSA-N 1 2 347.379 -2.540 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 ZINC001043649165 673635164 /nfs/dbraw/zinc/63/51/64/673635164.db2.gz MTDAPGGQVFSMPF-ZDUSSCGKSA-N 1 2 337.420 -1.066 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 ZINC001043649165 673635162 /nfs/dbraw/zinc/63/51/62/673635162.db2.gz MTDAPGGQVFSMPF-ZDUSSCGKSA-N 1 2 337.420 -1.066 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001043649583 673635017 /nfs/dbraw/zinc/63/50/17/673635017.db2.gz OIAYLLCCUJEFBP-LBPRGKRZSA-N 1 2 346.391 -1.784 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001043649583 673635015 /nfs/dbraw/zinc/63/50/15/673635015.db2.gz OIAYLLCCUJEFBP-LBPRGKRZSA-N 1 2 346.391 -1.784 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 ZINC001043649594 673635143 /nfs/dbraw/zinc/63/51/43/673635143.db2.gz OSAMGAZPJPNPTJ-ZDUSSCGKSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 ZINC001043649594 673635142 /nfs/dbraw/zinc/63/51/42/673635142.db2.gz OSAMGAZPJPNPTJ-ZDUSSCGKSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001043649598 673635134 /nfs/dbraw/zinc/63/51/34/673635134.db2.gz OXTHZSDVUDZSHD-ZDUSSCGKSA-N 1 2 346.391 -1.935 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001043649598 673635133 /nfs/dbraw/zinc/63/51/33/673635133.db2.gz OXTHZSDVUDZSHD-ZDUSSCGKSA-N 1 2 346.391 -1.935 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 ZINC001043649613 673635075 /nfs/dbraw/zinc/63/50/75/673635075.db2.gz POPHVOYZRLLDSR-AWEZNQCLSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 ZINC001043649613 673635074 /nfs/dbraw/zinc/63/50/74/673635074.db2.gz POPHVOYZRLLDSR-AWEZNQCLSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001043649616 673635416 /nfs/dbraw/zinc/63/54/16/673635416.db2.gz PQNMJMAKGFQKKC-DEYYWGMASA-N 1 2 347.415 -1.190 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001043649616 673635415 /nfs/dbraw/zinc/63/54/15/673635415.db2.gz PQNMJMAKGFQKKC-DEYYWGMASA-N 1 2 347.415 -1.190 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001043649636 673635420 /nfs/dbraw/zinc/63/54/20/673635420.db2.gz QIUKMKPFOMZCFM-ZDUSSCGKSA-N 1 2 331.376 -1.190 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001043649636 673635419 /nfs/dbraw/zinc/63/54/19/673635419.db2.gz QIUKMKPFOMZCFM-ZDUSSCGKSA-N 1 2 331.376 -1.190 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043650165 673635413 /nfs/dbraw/zinc/63/54/13/673635413.db2.gz QTGSOBLIQKRYKZ-NSHDSACASA-N 1 2 337.380 -2.558 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043650165 673635412 /nfs/dbraw/zinc/63/54/12/673635412.db2.gz QTGSOBLIQKRYKZ-NSHDSACASA-N 1 2 337.380 -2.558 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001043650199 673635403 /nfs/dbraw/zinc/63/54/03/673635403.db2.gz RBINVXMKWDVEJH-ZDUSSCGKSA-N 1 2 331.376 -1.190 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001043650199 673635402 /nfs/dbraw/zinc/63/54/02/673635402.db2.gz RBINVXMKWDVEJH-ZDUSSCGKSA-N 1 2 331.376 -1.190 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001043650199 673635400 /nfs/dbraw/zinc/63/54/00/673635400.db2.gz RBINVXMKWDVEJH-ZDUSSCGKSA-N 1 2 331.376 -1.190 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001043650199 673635398 /nfs/dbraw/zinc/63/53/98/673635398.db2.gz RBINVXMKWDVEJH-ZDUSSCGKSA-N 1 2 331.376 -1.190 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 ZINC001043650224 673635458 /nfs/dbraw/zinc/63/54/58/673635458.db2.gz RWOXLPCFHJIMRL-ZDUSSCGKSA-N 1 2 345.403 -1.179 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 ZINC001043650224 673635457 /nfs/dbraw/zinc/63/54/57/673635457.db2.gz RWOXLPCFHJIMRL-ZDUSSCGKSA-N 1 2 345.403 -1.179 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 ZINC001043650226 673635408 /nfs/dbraw/zinc/63/54/08/673635408.db2.gz RZOLEGFYPIGCBQ-AWEZNQCLSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 ZINC001043650226 673635407 /nfs/dbraw/zinc/63/54/07/673635407.db2.gz RZOLEGFYPIGCBQ-AWEZNQCLSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnns2)C1 ZINC001043650233 673635384 /nfs/dbraw/zinc/63/53/84/673635384.db2.gz SHMXXCJPVUKYDT-NSHDSACASA-N 1 2 349.416 -1.061 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnns2)C1 ZINC001043650233 673635383 /nfs/dbraw/zinc/63/53/83/673635383.db2.gz SHMXXCJPVUKYDT-NSHDSACASA-N 1 2 349.416 -1.061 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001043650237 673635357 /nfs/dbraw/zinc/63/53/57/673635357.db2.gz SRHXDSQMYRJJCG-ZDUSSCGKSA-N 1 2 346.391 -1.935 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001043650237 673635356 /nfs/dbraw/zinc/63/53/56/673635356.db2.gz SRHXDSQMYRJJCG-ZDUSSCGKSA-N 1 2 346.391 -1.935 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 ZINC001043650259 673635438 /nfs/dbraw/zinc/63/54/38/673635438.db2.gz UXNKDGJUVWOCPV-ZDUSSCGKSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 ZINC001043650259 673635436 /nfs/dbraw/zinc/63/54/36/673635436.db2.gz UXNKDGJUVWOCPV-ZDUSSCGKSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001043650260 673635393 /nfs/dbraw/zinc/63/53/93/673635393.db2.gz UXOZSUSKKLDIFA-AWEZNQCLSA-N 1 2 343.387 -1.123 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001043650260 673635392 /nfs/dbraw/zinc/63/53/92/673635392.db2.gz UXOZSUSKKLDIFA-AWEZNQCLSA-N 1 2 343.387 -1.123 20 30 EAEDLO 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WSISRWGVLBTVPR-MELADBBJSA-N 1 2 335.408 -1.239 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 ZINC001046069542 673856410 /nfs/dbraw/zinc/85/64/10/673856410.db2.gz IBJPGFUZRWYVLC-CYBMUJFWSA-N 1 2 333.392 -1.219 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 ZINC001046069544 673856593 /nfs/dbraw/zinc/85/65/93/673856593.db2.gz IBJPGFUZRWYVLC-ZDUSSCGKSA-N 1 2 333.392 -1.219 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC001046071085 673857014 /nfs/dbraw/zinc/85/70/14/673857014.db2.gz SHGVRNLWZFQRHB-NEPJUHHUSA-N 1 2 334.380 -1.673 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC001046071087 673857059 /nfs/dbraw/zinc/85/70/59/673857059.db2.gz SHGVRNLWZFQRHB-RYUDHWBXSA-N 1 2 334.380 -1.673 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC001046072065 673856871 /nfs/dbraw/zinc/85/68/71/673856871.db2.gz QQWAXPXHZBWPNU-GFCCVEGCSA-N 1 2 334.380 -1.720 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC001046072066 673856981 /nfs/dbraw/zinc/85/69/81/673856981.db2.gz QQWAXPXHZBWPNU-LBPRGKRZSA-N 1 2 334.380 -1.720 20 30 EAEDLO CN1C(=O)CN(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1=O ZINC001046077715 673857742 /nfs/dbraw/zinc/85/77/42/673857742.db2.gz XTJZNTXHQYPORA-CYBMUJFWSA-N 1 2 348.407 -1.378 20 30 EAEDLO CN1C(=O)CN(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1=O ZINC001046077716 673858063 /nfs/dbraw/zinc/85/80/63/673858063.db2.gz XTJZNTXHQYPORA-ZDUSSCGKSA-N 1 2 348.407 -1.378 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CN3CCC(=O)NC3=O)CC2)C1 ZINC001046078181 673857760 /nfs/dbraw/zinc/85/77/60/673857760.db2.gz UTYKXRWXELWNLO-CYBMUJFWSA-N 1 2 348.407 -1.330 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CN3CCC(=O)NC3=O)CC2)C1 ZINC001046078182 673858165 /nfs/dbraw/zinc/85/81/65/673858165.db2.gz UTYKXRWXELWNLO-ZDUSSCGKSA-N 1 2 348.407 -1.330 20 30 EAEDLO CC(=O)N1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046080292 673858068 /nfs/dbraw/zinc/85/80/68/673858068.db2.gz FBVRLDORENLZGK-CVEARBPZSA-N 1 2 349.435 -1.024 20 30 EAEDLO CC(=O)N1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046080294 673857941 /nfs/dbraw/zinc/85/79/41/673857941.db2.gz FBVRLDORENLZGK-HOTGVXAUSA-N 1 2 349.435 -1.024 20 30 EAEDLO CC(=O)N1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046080296 673858193 /nfs/dbraw/zinc/85/81/93/673858193.db2.gz FBVRLDORENLZGK-HZPDHXFCSA-N 1 2 349.435 -1.024 20 30 EAEDLO CC(=O)N1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046080299 673857819 /nfs/dbraw/zinc/85/78/19/673857819.db2.gz FBVRLDORENLZGK-JKSUJKDBSA-N 1 2 349.435 -1.024 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 ZINC001046080697 673857753 /nfs/dbraw/zinc/85/77/53/673857753.db2.gz BGJMSCYSIZIGJM-GFCCVEGCSA-N 1 2 334.380 -1.720 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 ZINC001046080699 673857961 /nfs/dbraw/zinc/85/79/61/673857961.db2.gz BGJMSCYSIZIGJM-LBPRGKRZSA-N 1 2 334.380 -1.720 20 30 EAEDLO CN1CC(=O)N(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1=O ZINC001046081707 673858619 /nfs/dbraw/zinc/85/86/19/673858619.db2.gz JNGQPYOXCITZLA-CYBMUJFWSA-N 1 2 348.407 -1.378 20 30 EAEDLO CN1CC(=O)N(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1=O ZINC001046081708 673858639 /nfs/dbraw/zinc/85/86/39/673858639.db2.gz JNGQPYOXCITZLA-ZDUSSCGKSA-N 1 2 348.407 -1.378 20 30 EAEDLO Cc1nn(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(=O)n1C ZINC001046082432 673858654 /nfs/dbraw/zinc/85/86/54/673858654.db2.gz WXEWFHKHEQGTQP-AWEZNQCLSA-N 1 2 347.423 -1.368 20 30 EAEDLO Cc1nn(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(=O)n1C ZINC001046082435 673858592 /nfs/dbraw/zinc/85/85/92/673858592.db2.gz WXEWFHKHEQGTQP-CQSZACIVSA-N 1 2 347.423 -1.368 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001046082927 673858494 /nfs/dbraw/zinc/85/84/94/673858494.db2.gz YJYUDHMIONARAC-CYBMUJFWSA-N 1 2 333.392 -1.123 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001046082928 673858577 /nfs/dbraw/zinc/85/85/77/673858577.db2.gz YJYUDHMIONARAC-ZDUSSCGKSA-N 1 2 333.392 -1.123 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)C1 ZINC001046083101 673858356 /nfs/dbraw/zinc/85/83/56/673858356.db2.gz LIVYNRNAZBMTGR-CHWSQXEVSA-N 1 2 348.407 -1.283 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC001046083102 673858509 /nfs/dbraw/zinc/85/85/09/673858509.db2.gz LIVYNRNAZBMTGR-OLZOCXBDSA-N 1 2 348.407 -1.283 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)C1 ZINC001046083103 673858572 /nfs/dbraw/zinc/85/85/72/673858572.db2.gz LIVYNRNAZBMTGR-QWHCGFSZSA-N 1 2 348.407 -1.283 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC001046083104 673858570 /nfs/dbraw/zinc/85/85/70/673858570.db2.gz LIVYNRNAZBMTGR-STQMWFEESA-N 1 2 348.407 -1.283 20 30 EAEDLO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(=O)[nH]c1=O ZINC001046083585 673858986 /nfs/dbraw/zinc/85/89/86/673858986.db2.gz USZXEAVPSGEJLH-GFCCVEGCSA-N 1 2 346.391 -1.158 20 30 EAEDLO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(=O)[nH]c1=O ZINC001046083586 673859058 /nfs/dbraw/zinc/85/90/58/673859058.db2.gz USZXEAVPSGEJLH-LBPRGKRZSA-N 1 2 346.391 -1.158 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046083819 673858999 /nfs/dbraw/zinc/85/89/99/673858999.db2.gz BKRRSALZCXDGDJ-CHWSQXEVSA-N 1 2 341.437 -1.580 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046083820 673858968 /nfs/dbraw/zinc/85/89/68/673858968.db2.gz BKRRSALZCXDGDJ-OLZOCXBDSA-N 1 2 341.437 -1.580 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046083821 673859144 /nfs/dbraw/zinc/85/91/44/673859144.db2.gz BKRRSALZCXDGDJ-QWHCGFSZSA-N 1 2 341.437 -1.580 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 ZINC001046083822 673859014 /nfs/dbraw/zinc/85/90/14/673859014.db2.gz BKRRSALZCXDGDJ-STQMWFEESA-N 1 2 341.437 -1.580 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)C1 ZINC001046084691 673859029 /nfs/dbraw/zinc/85/90/29/673859029.db2.gz AZYRTHUELBTOKC-GFCCVEGCSA-N 1 2 346.395 -1.881 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)C1 ZINC001046084693 673859220 /nfs/dbraw/zinc/85/92/20/673859220.db2.gz AZYRTHUELBTOKC-LBPRGKRZSA-N 1 2 346.395 -1.881 20 30 EAEDLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046085945 673859460 /nfs/dbraw/zinc/85/94/60/673859460.db2.gz KRCVIXMNRDDWCC-CVEARBPZSA-N 1 2 349.435 -1.024 20 30 EAEDLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046085946 673859452 /nfs/dbraw/zinc/85/94/52/673859452.db2.gz KRCVIXMNRDDWCC-HOTGVXAUSA-N 1 2 349.435 -1.024 20 30 EAEDLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046085947 673859386 /nfs/dbraw/zinc/85/93/86/673859386.db2.gz KRCVIXMNRDDWCC-HZPDHXFCSA-N 1 2 349.435 -1.024 20 30 EAEDLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046085948 673859403 /nfs/dbraw/zinc/85/94/03/673859403.db2.gz KRCVIXMNRDDWCC-JKSUJKDBSA-N 1 2 349.435 -1.024 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 ZINC001046089379 673859478 /nfs/dbraw/zinc/85/94/78/673859478.db2.gz CFUFGUHMTCQQSF-CHWSQXEVSA-N 1 2 333.392 -1.219 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 ZINC001046089380 673859747 /nfs/dbraw/zinc/85/97/47/673859747.db2.gz CFUFGUHMTCQQSF-OLZOCXBDSA-N 1 2 333.392 -1.219 20 30 EAEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 ZINC001046089381 673859682 /nfs/dbraw/zinc/85/96/82/673859682.db2.gz CFUFGUHMTCQQSF-QWHCGFSZSA-N 1 2 333.392 -1.219 20 30 EAEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 ZINC001046089382 673859519 /nfs/dbraw/zinc/85/95/19/673859519.db2.gz CFUFGUHMTCQQSF-STQMWFEESA-N 1 2 333.392 -1.219 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047170868 673926582 /nfs/dbraw/zinc/92/65/82/673926582.db2.gz AJHURJBRAPVIMU-UHFFFAOYSA-N 1 2 333.348 -2.219 20 30 EAEDLO C=CCn1cc(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001047182831 673929015 /nfs/dbraw/zinc/92/90/15/673929015.db2.gz HRFAHEAIROIDMD-UHFFFAOYSA-N 1 2 345.363 -1.267 20 30 EAEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047338159 673935923 /nfs/dbraw/zinc/93/59/23/673935923.db2.gz RARPRZFJSLUIBP-AGIUHOORSA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047338159 673935921 /nfs/dbraw/zinc/93/59/21/673935921.db2.gz RARPRZFJSLUIBP-AGIUHOORSA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047338161 673935890 /nfs/dbraw/zinc/93/58/90/673935890.db2.gz RARPRZFJSLUIBP-AVGNSLFASA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047338161 673935888 /nfs/dbraw/zinc/93/58/88/673935888.db2.gz RARPRZFJSLUIBP-AVGNSLFASA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047353517 673936941 /nfs/dbraw/zinc/93/69/41/673936941.db2.gz JHEZNMIHIGGCKG-AGIUHOORSA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047353517 673936938 /nfs/dbraw/zinc/93/69/38/673936938.db2.gz JHEZNMIHIGGCKG-AGIUHOORSA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047353524 673936762 /nfs/dbraw/zinc/93/67/62/673936762.db2.gz JHEZNMIHIGGCKG-AVGNSLFASA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047353524 673936761 /nfs/dbraw/zinc/93/67/61/673936761.db2.gz JHEZNMIHIGGCKG-AVGNSLFASA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047354821 673937209 /nfs/dbraw/zinc/93/72/09/673937209.db2.gz NKWYGZHSDKUYDG-AGIUHOORSA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047354821 673937207 /nfs/dbraw/zinc/93/72/07/673937207.db2.gz NKWYGZHSDKUYDG-AGIUHOORSA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047354822 673937042 /nfs/dbraw/zinc/93/70/42/673937042.db2.gz NKWYGZHSDKUYDG-AVGNSLFASA-N 1 2 345.359 -1.191 20 30 EAEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047354822 673937041 /nfs/dbraw/zinc/93/70/41/673937041.db2.gz NKWYGZHSDKUYDG-AVGNSLFASA-N 1 2 345.359 -1.191 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cnnn3C)C2)C1=O ZINC001047368618 673939615 /nfs/dbraw/zinc/93/96/15/673939615.db2.gz LMDCNDGPZLFELX-UBHSHLNASA-N 1 2 348.407 -1.281 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cnnn3C)C2)C1=O ZINC001047368618 673939613 /nfs/dbraw/zinc/93/96/13/673939613.db2.gz LMDCNDGPZLFELX-UBHSHLNASA-N 1 2 348.407 -1.281 20 30 EAEDLO 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670102304 /nfs/dbraw/zinc/10/23/04/670102304.db2.gz QZPBCEZTNXDPAI-GFCCVEGCSA-N 1 2 343.391 -1.053 20 30 EAEDLO N#Cc1nccnc1N1CC[NH+]([C@H]2CCN(C(=O)CC(N)=O)C2)CC1 ZINC001066701158 670102478 /nfs/dbraw/zinc/10/24/78/670102478.db2.gz QZPBCEZTNXDPAI-LBPRGKRZSA-N 1 2 343.391 -1.053 20 30 EAEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)n1 ZINC001066702066 670102798 /nfs/dbraw/zinc/10/27/98/670102798.db2.gz BBQRKTIJVILPEY-CYBMUJFWSA-N 1 2 343.391 -1.135 20 30 EAEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H]3CCN(C(=O)C(N)=O)C3)CC2)n1 ZINC001066702067 670102819 /nfs/dbraw/zinc/10/28/19/670102819.db2.gz BBQRKTIJVILPEY-ZDUSSCGKSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1cncc(N2CC[NH+]([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)n1 ZINC001066702119 670102875 /nfs/dbraw/zinc/10/28/75/670102875.db2.gz CQDXWXTVOSDGAB-GFCCVEGCSA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1cncc(N2CC[NH+]([C@H]3CCN(C(=O)C(N)=O)C3)CC2)n1 ZINC001066702123 670102954 /nfs/dbraw/zinc/10/29/54/670102954.db2.gz CQDXWXTVOSDGAB-LBPRGKRZSA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)n1 ZINC001066702358 670102388 /nfs/dbraw/zinc/10/23/88/670102388.db2.gz GPWHOBLFXNEZQW-LLVKDONJSA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)C(N)=O)C3)CC2)n1 ZINC001066702360 670102889 /nfs/dbraw/zinc/10/28/89/670102889.db2.gz GPWHOBLFXNEZQW-NSHDSACASA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)nn1 ZINC001066702578 670102932 /nfs/dbraw/zinc/10/29/32/670102932.db2.gz MKCUSNOPTGVLNK-GFCCVEGCSA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)C(N)=O)C3)CC2)nn1 ZINC001066702579 670102855 /nfs/dbraw/zinc/10/28/55/670102855.db2.gz MKCUSNOPTGVLNK-LBPRGKRZSA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1cnc(N2CC[NH+]([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)cn1 ZINC001066702737 670102740 /nfs/dbraw/zinc/10/27/40/670102740.db2.gz PWCJLRHYHHQYLY-GFCCVEGCSA-N 1 2 329.364 -1.444 20 30 EAEDLO N#Cc1cnc(N2CC[NH+]([C@H]3CCN(C(=O)C(N)=O)C3)CC2)cn1 ZINC001066702738 670102869 /nfs/dbraw/zinc/10/28/69/670102869.db2.gz PWCJLRHYHHQYLY-LBPRGKRZSA-N 1 2 329.364 -1.444 20 30 EAEDLO CC#CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905710 673153333 /nfs/dbraw/zinc/15/33/33/673153333.db2.gz LTHYINIWYDHVBW-ILXRZTDVSA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905710 673153331 /nfs/dbraw/zinc/15/33/31/673153331.db2.gz LTHYINIWYDHVBW-ILXRZTDVSA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905711 673153342 /nfs/dbraw/zinc/15/33/42/673153342.db2.gz LTHYINIWYDHVBW-QLFBSQMISA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905711 673153341 /nfs/dbraw/zinc/15/33/41/673153341.db2.gz LTHYINIWYDHVBW-QLFBSQMISA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069911733 673153792 /nfs/dbraw/zinc/15/37/92/673153792.db2.gz MTOZLCVFXMKBRT-CABCVRRESA-N 1 2 332.408 -1.025 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069911733 673153787 /nfs/dbraw/zinc/15/37/87/673153787.db2.gz MTOZLCVFXMKBRT-CABCVRRESA-N 1 2 332.408 -1.025 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](n2ccnn2)C1 ZINC001069912147 673154055 /nfs/dbraw/zinc/15/40/55/673154055.db2.gz PAUYODUCWOUCJL-NEPJUHHUSA-N 1 2 330.352 -1.360 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](n2ccnn2)C1 ZINC001069912147 673154053 /nfs/dbraw/zinc/15/40/53/673154053.db2.gz PAUYODUCWOUCJL-NEPJUHHUSA-N 1 2 330.352 -1.360 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069912165 673154097 /nfs/dbraw/zinc/15/40/97/673154097.db2.gz QCBYTTCEKATEPR-ILXRZTDVSA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069912165 673154095 /nfs/dbraw/zinc/15/40/95/673154095.db2.gz QCBYTTCEKATEPR-ILXRZTDVSA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069912166 673154328 /nfs/dbraw/zinc/15/43/28/673154328.db2.gz QCBYTTCEKATEPR-QLFBSQMISA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069912166 673154326 /nfs/dbraw/zinc/15/43/26/673154326.db2.gz QCBYTTCEKATEPR-QLFBSQMISA-N 1 2 332.408 -1.027 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](n2ccnn2)C1 ZINC001069930416 673156755 /nfs/dbraw/zinc/15/67/55/673156755.db2.gz IGGBLFADFUXPGG-MNOVXSKESA-N 1 2 343.351 -2.357 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](n2ccnn2)C1 ZINC001069930416 673156751 /nfs/dbraw/zinc/15/67/51/673156751.db2.gz IGGBLFADFUXPGG-MNOVXSKESA-N 1 2 343.351 -2.357 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001069940862 673157001 /nfs/dbraw/zinc/15/70/01/673157001.db2.gz IAMLKDXTAFHGSZ-UPJWGTAASA-N 1 2 344.375 -1.210 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001069940862 673156999 /nfs/dbraw/zinc/15/69/99/673156999.db2.gz IAMLKDXTAFHGSZ-UPJWGTAASA-N 1 2 344.375 -1.210 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001069940863 673157231 /nfs/dbraw/zinc/15/72/31/673157231.db2.gz IAMLKDXTAFHGSZ-XQQFMLRXSA-N 1 2 344.375 -1.210 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001069940863 673157227 /nfs/dbraw/zinc/15/72/27/673157227.db2.gz IAMLKDXTAFHGSZ-XQQFMLRXSA-N 1 2 344.375 -1.210 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947229 673158301 /nfs/dbraw/zinc/15/83/01/673158301.db2.gz RSTYEVGJODWYOJ-OLZOCXBDSA-N 1 2 332.364 -1.888 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947229 673158298 /nfs/dbraw/zinc/15/82/98/673158298.db2.gz RSTYEVGJODWYOJ-OLZOCXBDSA-N 1 2 332.364 -1.888 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947267 673158227 /nfs/dbraw/zinc/15/82/27/673158227.db2.gz UGNPTXAZARMXSC-KGLIPLIRSA-N 1 2 346.391 -1.498 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947267 673158226 /nfs/dbraw/zinc/15/82/26/673158226.db2.gz UGNPTXAZARMXSC-KGLIPLIRSA-N 1 2 346.391 -1.498 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001069948098 673157916 /nfs/dbraw/zinc/15/79/16/673157916.db2.gz HARYNRUHIGBIIP-AXFHLTTASA-N 1 2 331.336 -2.149 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001069948098 673157912 /nfs/dbraw/zinc/15/79/12/673157912.db2.gz HARYNRUHIGBIIP-AXFHLTTASA-N 1 2 331.336 -2.149 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001069949141 673158214 /nfs/dbraw/zinc/15/82/14/673158214.db2.gz FWFOETNKHNYMJX-TUAOUCFPSA-N 1 2 345.363 -1.759 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001069949141 673158212 /nfs/dbraw/zinc/15/82/12/673158212.db2.gz FWFOETNKHNYMJX-TUAOUCFPSA-N 1 2 345.363 -1.759 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001069949214 673158170 /nfs/dbraw/zinc/15/81/70/673158170.db2.gz JYAVNSCUGCWCJL-RDBSUJKOSA-N 1 2 345.407 -1.798 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001069949214 673158168 /nfs/dbraw/zinc/15/81/68/673158168.db2.gz JYAVNSCUGCWCJL-RDBSUJKOSA-N 1 2 345.407 -1.798 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069949437 673158801 /nfs/dbraw/zinc/15/88/01/673158801.db2.gz XTUOGPLSGZUBBM-OLZOCXBDSA-N 1 2 327.348 -1.340 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069949437 673158799 /nfs/dbraw/zinc/15/87/99/673158799.db2.gz XTUOGPLSGZUBBM-OLZOCXBDSA-N 1 2 327.348 -1.340 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069963875 673159541 /nfs/dbraw/zinc/15/95/41/673159541.db2.gz SFRCYTASCPUAAU-KGLIPLIRSA-N 1 2 345.407 -1.973 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069963875 673159538 /nfs/dbraw/zinc/15/95/38/673159538.db2.gz SFRCYTASCPUAAU-KGLIPLIRSA-N 1 2 345.407 -1.973 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001069964241 673159709 /nfs/dbraw/zinc/15/97/09/673159709.db2.gz BRXMMZNYPIVXNV-OLZOCXBDSA-N 1 2 344.379 -1.762 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001069964241 673159706 /nfs/dbraw/zinc/15/97/06/673159706.db2.gz BRXMMZNYPIVXNV-OLZOCXBDSA-N 1 2 344.379 -1.762 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001069964399 673160020 /nfs/dbraw/zinc/16/00/20/673160020.db2.gz KSAMASILNNIDGK-NEPJUHHUSA-N 1 2 330.352 -2.152 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001069964399 673160017 /nfs/dbraw/zinc/16/00/17/673160017.db2.gz KSAMASILNNIDGK-NEPJUHHUSA-N 1 2 330.352 -2.152 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@@H](n2ccnn2)C1 ZINC001069964426 673160246 /nfs/dbraw/zinc/16/02/46/673160246.db2.gz MBWHRFSFMTWALH-ILXRZTDVSA-N 1 2 332.408 -1.027 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@@H](n2ccnn2)C1 ZINC001069964426 673160244 /nfs/dbraw/zinc/16/02/44/673160244.db2.gz MBWHRFSFMTWALH-ILXRZTDVSA-N 1 2 332.408 -1.027 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](n2ccnn2)C1 ZINC001069964427 673160236 /nfs/dbraw/zinc/16/02/36/673160236.db2.gz MBWHRFSFMTWALH-QLFBSQMISA-N 1 2 332.408 -1.027 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](n2ccnn2)C1 ZINC001069964427 673160233 /nfs/dbraw/zinc/16/02/33/673160233.db2.gz MBWHRFSFMTWALH-QLFBSQMISA-N 1 2 332.408 -1.027 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069968095 673160653 /nfs/dbraw/zinc/16/06/53/673160653.db2.gz GWSICASPHOONCE-OLZOCXBDSA-N 1 2 331.380 -1.332 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069968095 673160652 /nfs/dbraw/zinc/16/06/52/673160652.db2.gz GWSICASPHOONCE-OLZOCXBDSA-N 1 2 331.380 -1.332 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069971785 673161096 /nfs/dbraw/zinc/16/10/96/673161096.db2.gz HIJGWLXEYPRLJX-NEPJUHHUSA-N 1 2 343.347 -1.785 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069971785 673161091 /nfs/dbraw/zinc/16/10/91/673161091.db2.gz HIJGWLXEYPRLJX-NEPJUHHUSA-N 1 2 343.347 -1.785 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](n2ccnn2)C1 ZINC001069985745 673163325 /nfs/dbraw/zinc/16/33/25/673163325.db2.gz FTJVCMLLIBISQM-YPMHNXCESA-N 1 2 327.348 -1.340 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](n2ccnn2)C1 ZINC001069985745 673163324 /nfs/dbraw/zinc/16/33/24/673163324.db2.gz FTJVCMLLIBISQM-YPMHNXCESA-N 1 2 327.348 -1.340 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069993521 673163807 /nfs/dbraw/zinc/16/38/07/673163807.db2.gz BLMLUJCNRGMOFH-OLZOCXBDSA-N 1 2 331.380 -2.315 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069993521 673163806 /nfs/dbraw/zinc/16/38/06/673163806.db2.gz BLMLUJCNRGMOFH-OLZOCXBDSA-N 1 2 331.380 -2.315 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069995271 673164548 /nfs/dbraw/zinc/16/45/48/673164548.db2.gz HZTFBGYQNHFABI-KGLIPLIRSA-N 1 2 345.407 -1.925 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069995271 673164543 /nfs/dbraw/zinc/16/45/43/673164543.db2.gz HZTFBGYQNHFABI-KGLIPLIRSA-N 1 2 345.407 -1.925 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069995630 673164447 /nfs/dbraw/zinc/16/44/47/673164447.db2.gz QIRUSGJETUGANP-AGIUHOORSA-N 1 2 331.380 -1.334 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069995630 673164441 /nfs/dbraw/zinc/16/44/41/673164441.db2.gz QIRUSGJETUGANP-AGIUHOORSA-N 1 2 331.380 -1.334 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069995631 673164576 /nfs/dbraw/zinc/16/45/76/673164576.db2.gz QIRUSGJETUGANP-UPJWGTAASA-N 1 2 331.380 -1.334 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069995631 673164573 /nfs/dbraw/zinc/16/45/73/673164573.db2.gz QIRUSGJETUGANP-UPJWGTAASA-N 1 2 331.380 -1.334 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001070024469 673168366 /nfs/dbraw/zinc/16/83/66/673168366.db2.gz RAJMQDLRDOZGJS-DGAVXFQQSA-N 1 2 330.392 -1.023 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001070024469 673168364 /nfs/dbraw/zinc/16/83/64/673168364.db2.gz RAJMQDLRDOZGJS-DGAVXFQQSA-N 1 2 330.392 -1.023 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070024649 673168407 /nfs/dbraw/zinc/16/84/07/673168407.db2.gz ZXJZHHUCDRTEPW-OLZOCXBDSA-N 1 2 327.348 -1.006 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070024649 673168403 /nfs/dbraw/zinc/16/84/03/673168403.db2.gz ZXJZHHUCDRTEPW-OLZOCXBDSA-N 1 2 327.348 -1.006 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070025665 673168330 /nfs/dbraw/zinc/16/83/30/673168330.db2.gz CNNUDBHWKRTFOM-MROQNXINSA-N 1 2 332.364 -1.714 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070025665 673168328 /nfs/dbraw/zinc/16/83/28/673168328.db2.gz CNNUDBHWKRTFOM-MROQNXINSA-N 1 2 332.364 -1.714 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070026505 673168834 /nfs/dbraw/zinc/16/88/34/673168834.db2.gz BAJOUUWRNPHQTH-ZOBORPQBSA-N 1 2 346.391 -1.324 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070026505 673168833 /nfs/dbraw/zinc/16/88/33/673168833.db2.gz BAJOUUWRNPHQTH-ZOBORPQBSA-N 1 2 346.391 -1.324 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070040676 673169697 /nfs/dbraw/zinc/16/96/97/673169697.db2.gz AKJWVQTWOQUWOO-AXFHLTTASA-N 1 2 331.336 -2.149 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070040676 673169696 /nfs/dbraw/zinc/16/96/96/673169696.db2.gz AKJWVQTWOQUWOO-AXFHLTTASA-N 1 2 331.336 -2.149 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070041125 673169690 /nfs/dbraw/zinc/16/96/90/673169690.db2.gz VPXDRHKGKBCEHD-TUAOUCFPSA-N 1 2 345.363 -1.759 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070041125 673169689 /nfs/dbraw/zinc/16/96/89/673169689.db2.gz VPXDRHKGKBCEHD-TUAOUCFPSA-N 1 2 345.363 -1.759 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070052846 673172085 /nfs/dbraw/zinc/17/20/85/673172085.db2.gz OWNWPVDKPPSUII-OLZOCXBDSA-N 1 2 344.375 -1.304 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070052846 673172083 /nfs/dbraw/zinc/17/20/83/673172083.db2.gz OWNWPVDKPPSUII-OLZOCXBDSA-N 1 2 344.375 -1.304 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070053028 673172226 /nfs/dbraw/zinc/17/22/26/673172226.db2.gz YZRNMQPOWGQEFV-NEPJUHHUSA-N 1 2 330.348 -1.694 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070053028 673172224 /nfs/dbraw/zinc/17/22/24/673172224.db2.gz YZRNMQPOWGQEFV-NEPJUHHUSA-N 1 2 330.348 -1.694 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070055827 673172616 /nfs/dbraw/zinc/17/26/16/673172616.db2.gz RYVFSUDTFSTMTJ-MNOVXSKESA-N 1 2 331.336 -2.195 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070055827 673172613 /nfs/dbraw/zinc/17/26/13/673172613.db2.gz RYVFSUDTFSTMTJ-MNOVXSKESA-N 1 2 331.336 -2.195 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070055939 673172525 /nfs/dbraw/zinc/17/25/25/673172525.db2.gz YNZDXNGIFZNHNX-NEPJUHHUSA-N 1 2 345.363 -1.805 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070055939 673172523 /nfs/dbraw/zinc/17/25/23/673172523.db2.gz YNZDXNGIFZNHNX-NEPJUHHUSA-N 1 2 345.363 -1.805 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001070064413 673174308 /nfs/dbraw/zinc/17/43/08/673174308.db2.gz PYJJGZABKSFUJZ-OLZOCXBDSA-N 1 2 327.348 -1.006 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001070064413 673174305 /nfs/dbraw/zinc/17/43/05/673174305.db2.gz PYJJGZABKSFUJZ-OLZOCXBDSA-N 1 2 327.348 -1.006 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070070717 673174253 /nfs/dbraw/zinc/17/42/53/673174253.db2.gz QDUYNWUZFUYTNN-NEPJUHHUSA-N 1 2 345.363 -1.805 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070070717 673174252 /nfs/dbraw/zinc/17/42/52/673174252.db2.gz QDUYNWUZFUYTNN-NEPJUHHUSA-N 1 2 345.363 -1.805 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070074924 673174983 /nfs/dbraw/zinc/17/49/83/673174983.db2.gz NIZRPAQELCGBHO-NEPJUHHUSA-N 1 2 345.363 -1.853 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070074924 673174982 /nfs/dbraw/zinc/17/49/82/673174982.db2.gz NIZRPAQELCGBHO-NEPJUHHUSA-N 1 2 345.363 -1.853 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001070079868 673175016 /nfs/dbraw/zinc/17/50/16/673175016.db2.gz YBNPDSHGYTTYCZ-KGLIPLIRSA-N 1 2 341.375 -1.182 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001070079868 673175013 /nfs/dbraw/zinc/17/50/13/673175013.db2.gz YBNPDSHGYTTYCZ-KGLIPLIRSA-N 1 2 341.375 -1.182 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001070085584 673175776 /nfs/dbraw/zinc/17/57/76/673175776.db2.gz HXYCFMDASCCKMH-OLZOCXBDSA-N 1 2 344.379 -1.843 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001070085584 673175772 /nfs/dbraw/zinc/17/57/72/673175772.db2.gz HXYCFMDASCCKMH-OLZOCXBDSA-N 1 2 344.379 -1.843 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@@H](n2ccnn2)C1 ZINC001070086693 673176014 /nfs/dbraw/zinc/17/60/14/673176014.db2.gz IDJRPRPDVIOKTH-ILXRZTDVSA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@@H](n2ccnn2)C1 ZINC001070086693 673176013 /nfs/dbraw/zinc/17/60/13/673176013.db2.gz IDJRPRPDVIOKTH-ILXRZTDVSA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@@H](n2ccnn2)C1 ZINC001070086694 673176048 /nfs/dbraw/zinc/17/60/48/673176048.db2.gz IDJRPRPDVIOKTH-QLFBSQMISA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@@H](n2ccnn2)C1 ZINC001070086694 673176045 /nfs/dbraw/zinc/17/60/45/673176045.db2.gz IDJRPRPDVIOKTH-QLFBSQMISA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070090062 673176489 /nfs/dbraw/zinc/17/64/89/673176489.db2.gz NZZXGMCLTLXUTC-OLZOCXBDSA-N 1 2 327.348 -1.340 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070090062 673176486 /nfs/dbraw/zinc/17/64/86/673176486.db2.gz NZZXGMCLTLXUTC-OLZOCXBDSA-N 1 2 327.348 -1.340 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070091359 673176925 /nfs/dbraw/zinc/17/69/25/673176925.db2.gz HCDWKCNEODDLJQ-NEPJUHHUSA-N 1 2 345.363 -1.853 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070091359 673176920 /nfs/dbraw/zinc/17/69/20/673176920.db2.gz HCDWKCNEODDLJQ-NEPJUHHUSA-N 1 2 345.363 -1.853 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091387 673177065 /nfs/dbraw/zinc/17/70/65/673177065.db2.gz IPSSSPHSCJVPGJ-MNOVXSKESA-N 1 2 331.336 -2.195 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091387 673177064 /nfs/dbraw/zinc/17/70/64/673177064.db2.gz IPSSSPHSCJVPGJ-MNOVXSKESA-N 1 2 331.336 -2.195 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091422 673176939 /nfs/dbraw/zinc/17/69/39/673176939.db2.gz KDGJTAHMNRBSCU-NEPJUHHUSA-N 1 2 345.363 -1.805 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091422 673176935 /nfs/dbraw/zinc/17/69/35/673176935.db2.gz KDGJTAHMNRBSCU-NEPJUHHUSA-N 1 2 345.363 -1.805 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092657 673177037 /nfs/dbraw/zinc/17/70/37/673177037.db2.gz KZSHLOCSKMMPFW-OLZOCXBDSA-N 1 2 344.375 -1.208 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092657 673177036 /nfs/dbraw/zinc/17/70/36/673177036.db2.gz KZSHLOCSKMMPFW-OLZOCXBDSA-N 1 2 344.375 -1.208 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092783 673176899 /nfs/dbraw/zinc/17/68/99/673176899.db2.gz TWVBZCCAPOAPIY-NEPJUHHUSA-N 1 2 330.348 -1.598 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092783 673176896 /nfs/dbraw/zinc/17/68/96/673176896.db2.gz TWVBZCCAPOAPIY-NEPJUHHUSA-N 1 2 330.348 -1.598 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070094875 673177498 /nfs/dbraw/zinc/17/74/98/673177498.db2.gz IZCBORCNSQNAHB-NEPJUHHUSA-N 1 2 343.347 -1.634 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070094875 673177497 /nfs/dbraw/zinc/17/74/97/673177497.db2.gz IZCBORCNSQNAHB-NEPJUHHUSA-N 1 2 343.347 -1.634 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070096353 673177416 /nfs/dbraw/zinc/17/74/16/673177416.db2.gz VCSCEGQINCWWJI-OLZOCXBDSA-N 1 2 327.348 -1.006 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070096353 673177413 /nfs/dbraw/zinc/17/74/13/673177413.db2.gz VCSCEGQINCWWJI-OLZOCXBDSA-N 1 2 327.348 -1.006 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098535 673177923 /nfs/dbraw/zinc/17/79/23/673177923.db2.gz DWCHFEXKCLYNBF-TUAOUCFPSA-N 1 2 338.393 -2.056 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098535 673177921 /nfs/dbraw/zinc/17/79/21/673177921.db2.gz DWCHFEXKCLYNBF-TUAOUCFPSA-N 1 2 338.393 -2.056 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098536 673177870 /nfs/dbraw/zinc/17/78/70/673177870.db2.gz DWCHFEXKCLYNBF-UTUOFQBUSA-N 1 2 338.393 -2.056 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070098536 673177869 /nfs/dbraw/zinc/17/78/69/673177869.db2.gz DWCHFEXKCLYNBF-UTUOFQBUSA-N 1 2 338.393 -2.056 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070099460 673178294 /nfs/dbraw/zinc/17/82/94/673178294.db2.gz HBCQDOOTFJENDX-ILXRZTDVSA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070099460 673178293 /nfs/dbraw/zinc/17/82/93/673178293.db2.gz HBCQDOOTFJENDX-ILXRZTDVSA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070099463 673178151 /nfs/dbraw/zinc/17/81/51/673178151.db2.gz HBCQDOOTFJENDX-QLFBSQMISA-N 1 2 346.391 -1.500 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070099463 673178148 /nfs/dbraw/zinc/17/81/48/673178148.db2.gz HBCQDOOTFJENDX-QLFBSQMISA-N 1 2 346.391 -1.500 20 30 EAEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](n2ccnn2)C1 ZINC001070102439 673178757 /nfs/dbraw/zinc/17/87/57/673178757.db2.gz JVNZZTWKGPGVBE-PWSUYJOCSA-N 1 2 345.367 -1.804 20 30 EAEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](n2ccnn2)C1 ZINC001070102439 673178755 /nfs/dbraw/zinc/17/87/55/673178755.db2.gz JVNZZTWKGPGVBE-PWSUYJOCSA-N 1 2 345.367 -1.804 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105125 673179370 /nfs/dbraw/zinc/17/93/70/673179370.db2.gz LINRNKNFNDXAAS-OLZOCXBDSA-N 1 2 343.391 -1.006 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105125 673179368 /nfs/dbraw/zinc/17/93/68/673179368.db2.gz LINRNKNFNDXAAS-OLZOCXBDSA-N 1 2 343.391 -1.006 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105286 673179210 /nfs/dbraw/zinc/17/92/10/673179210.db2.gz PLCBQTYPJOGHNZ-NEPJUHHUSA-N 1 2 329.364 -1.396 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105286 673179208 /nfs/dbraw/zinc/17/92/08/673179208.db2.gz PLCBQTYPJOGHNZ-NEPJUHHUSA-N 1 2 329.364 -1.396 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070109103 673179451 /nfs/dbraw/zinc/17/94/51/673179451.db2.gz FPKDFIYEXYZRHF-AGIUHOORSA-N 1 2 331.380 -1.204 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070109103 673179448 /nfs/dbraw/zinc/17/94/48/673179448.db2.gz FPKDFIYEXYZRHF-AGIUHOORSA-N 1 2 331.380 -1.204 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111399 673179641 /nfs/dbraw/zinc/17/96/41/673179641.db2.gz HKQZTCQSNSCQNM-ZNMIVQPWSA-N 1 2 332.408 -1.027 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111399 673179638 /nfs/dbraw/zinc/17/96/38/673179638.db2.gz HKQZTCQSNSCQNM-ZNMIVQPWSA-N 1 2 332.408 -1.027 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111458 673179753 /nfs/dbraw/zinc/17/97/53/673179753.db2.gz KAICALHKJCJNQU-UPJWGTAASA-N 1 2 344.375 -1.304 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111458 673179749 /nfs/dbraw/zinc/17/97/49/673179749.db2.gz KAICALHKJCJNQU-UPJWGTAASA-N 1 2 344.375 -1.304 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111459 673179910 /nfs/dbraw/zinc/17/99/10/673179910.db2.gz KAICALHKJCJNQU-XQQFMLRXSA-N 1 2 344.375 -1.304 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111459 673179908 /nfs/dbraw/zinc/17/99/08/673179908.db2.gz KAICALHKJCJNQU-XQQFMLRXSA-N 1 2 344.375 -1.304 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111461 673179740 /nfs/dbraw/zinc/17/97/40/673179740.db2.gz KCYIPDVHRSEKAQ-TUAOUCFPSA-N 1 2 330.348 -1.694 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111461 673179738 /nfs/dbraw/zinc/17/97/38/673179738.db2.gz KCYIPDVHRSEKAQ-TUAOUCFPSA-N 1 2 330.348 -1.694 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111462 673179811 /nfs/dbraw/zinc/17/98/11/673179811.db2.gz KCYIPDVHRSEKAQ-UTUOFQBUSA-N 1 2 330.348 -1.694 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111462 673179808 /nfs/dbraw/zinc/17/98/08/673179808.db2.gz KCYIPDVHRSEKAQ-UTUOFQBUSA-N 1 2 330.348 -1.694 20 30 EAEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070159629 671889499 /nfs/dbraw/zinc/88/94/99/671889499.db2.gz LLFBHVPVTMEZMK-AXFHLTTASA-N 1 2 345.367 -1.599 20 30 EAEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070159630 671889097 /nfs/dbraw/zinc/88/90/97/671889097.db2.gz LLFBHVPVTMEZMK-MXWKQRLJSA-N 1 2 345.367 -1.599 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cn1cnnn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441573 671922093 /nfs/dbraw/zinc/92/20/93/671922093.db2.gz XNVMOWKRHYUXOJ-GFCCVEGCSA-N 1 2 341.379 -1.339 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cn1cnnn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441574 671922038 /nfs/dbraw/zinc/92/20/38/671922038.db2.gz XNVMOWKRHYUXOJ-LBPRGKRZSA-N 1 2 341.379 -1.339 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cn1ncnn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446289 671921993 /nfs/dbraw/zinc/92/19/93/671921993.db2.gz YSFCIJOUMPEAKU-GFCCVEGCSA-N 1 2 341.379 -1.339 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cn1ncnn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070446290 671922219 /nfs/dbraw/zinc/92/22/19/671922219.db2.gz YSFCIJOUMPEAKU-LBPRGKRZSA-N 1 2 341.379 -1.339 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447819 671922665 /nfs/dbraw/zinc/92/26/65/671922665.db2.gz QWGSNHQOWJQXCY-LLVKDONJSA-N 1 2 341.379 -1.189 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1nnn(C)n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447820 671922520 /nfs/dbraw/zinc/92/25/20/671922520.db2.gz QWGSNHQOWJQXCY-NSHDSACASA-N 1 2 341.379 -1.189 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448018 671922551 /nfs/dbraw/zinc/92/25/51/671922551.db2.gz TWMWNONQMAVBDV-NEPJUHHUSA-N 1 2 343.391 -1.344 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448019 671922588 /nfs/dbraw/zinc/92/25/88/671922588.db2.gz TWMWNONQMAVBDV-NWDGAFQWSA-N 1 2 343.391 -1.344 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448020 671922502 /nfs/dbraw/zinc/92/25/02/671922502.db2.gz TWMWNONQMAVBDV-RYUDHWBXSA-N 1 2 343.391 -1.344 20 30 EAEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448021 671922474 /nfs/dbraw/zinc/92/24/74/671922474.db2.gz TWMWNONQMAVBDV-VXGBXAGGSA-N 1 2 343.391 -1.344 20 30 EAEDLO C[N@H+]1CCO[C@H](C(=O)NCc2nc([C@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583007 671931345 /nfs/dbraw/zinc/93/13/45/671931345.db2.gz AETCCGOUOAVYCB-NEPJUHHUSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@@H+]1CCO[C@H](C(=O)NCc2nc([C@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583007 671931338 /nfs/dbraw/zinc/93/13/38/671931338.db2.gz AETCCGOUOAVYCB-NEPJUHHUSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@H+]1CCO[C@@H](C(=O)NCc2nc([C@@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583008 671931159 /nfs/dbraw/zinc/93/11/59/671931159.db2.gz AETCCGOUOAVYCB-NWDGAFQWSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@@H+]1CCO[C@@H](C(=O)NCc2nc([C@@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583008 671931156 /nfs/dbraw/zinc/93/11/56/671931156.db2.gz AETCCGOUOAVYCB-NWDGAFQWSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@H+]1CCO[C@H](C(=O)NCc2nc([C@@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583009 671931128 /nfs/dbraw/zinc/93/11/28/671931128.db2.gz AETCCGOUOAVYCB-RYUDHWBXSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@@H+]1CCO[C@H](C(=O)NCc2nc([C@@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583009 671931124 /nfs/dbraw/zinc/93/11/24/671931124.db2.gz AETCCGOUOAVYCB-RYUDHWBXSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@H+]1CCO[C@@H](C(=O)NCc2nc([C@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583010 671931533 /nfs/dbraw/zinc/93/15/33/671931533.db2.gz AETCCGOUOAVYCB-VXGBXAGGSA-N 1 2 349.395 -1.352 20 30 EAEDLO C[N@@H+]1CCO[C@@H](C(=O)NCc2nc([C@H]3COCCN3CC#N)n[nH]2)C1 ZINC001070583010 671931529 /nfs/dbraw/zinc/93/15/29/671931529.db2.gz AETCCGOUOAVYCB-VXGBXAGGSA-N 1 2 349.395 -1.352 20 30 EAEDLO C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001070583283 671931587 /nfs/dbraw/zinc/93/15/87/671931587.db2.gz IJZRVVVJZSIAAR-CHWSQXEVSA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001070583283 671931586 /nfs/dbraw/zinc/93/15/86/671931586.db2.gz IJZRVVVJZSIAAR-CHWSQXEVSA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001070583284 671931114 /nfs/dbraw/zinc/93/11/14/671931114.db2.gz IJZRVVVJZSIAAR-OLZOCXBDSA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001070583284 671931111 /nfs/dbraw/zinc/93/11/11/671931111.db2.gz IJZRVVVJZSIAAR-OLZOCXBDSA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001070583285 671931582 /nfs/dbraw/zinc/93/15/82/671931582.db2.gz IJZRVVVJZSIAAR-QWHCGFSZSA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001070583285 671931581 /nfs/dbraw/zinc/93/15/81/671931581.db2.gz IJZRVVVJZSIAAR-QWHCGFSZSA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001070583286 671931575 /nfs/dbraw/zinc/93/15/75/671931575.db2.gz IJZRVVVJZSIAAR-STQMWFEESA-N 1 2 348.407 -1.242 20 30 EAEDLO C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001070583286 671931574 /nfs/dbraw/zinc/93/15/74/671931574.db2.gz IJZRVVVJZSIAAR-STQMWFEESA-N 1 2 348.407 -1.242 20 30 EAEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC#N ZINC001070628576 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YVLWYDUVGSPWBI-STQMWFEESA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001074361260 686760268 /nfs/dbraw/zinc/76/02/68/686760268.db2.gz YVLWYDUVGSPWBI-STQMWFEESA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400629 686765002 /nfs/dbraw/zinc/76/50/02/686765002.db2.gz UOLKHQCSOTURHX-CHWSQXEVSA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400629 686764995 /nfs/dbraw/zinc/76/49/95/686764995.db2.gz UOLKHQCSOTURHX-CHWSQXEVSA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400630 686764705 /nfs/dbraw/zinc/76/47/05/686764705.db2.gz UOLKHQCSOTURHX-OLZOCXBDSA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400630 686764702 /nfs/dbraw/zinc/76/47/02/686764702.db2.gz UOLKHQCSOTURHX-OLZOCXBDSA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400631 686765052 /nfs/dbraw/zinc/76/50/52/686765052.db2.gz UOLKHQCSOTURHX-QWHCGFSZSA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400631 686765045 /nfs/dbraw/zinc/76/50/45/686765045.db2.gz UOLKHQCSOTURHX-QWHCGFSZSA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400632 686765533 /nfs/dbraw/zinc/76/55/33/686765533.db2.gz UOLKHQCSOTURHX-STQMWFEESA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400632 686765529 /nfs/dbraw/zinc/76/55/29/686765529.db2.gz UOLKHQCSOTURHX-STQMWFEESA-N 1 2 334.376 -1.137 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001074413278 686766213 /nfs/dbraw/zinc/76/62/13/686766213.db2.gz QTLOSBIAKNYSNF-KBPBESRZSA-N 1 2 346.391 -1.298 20 30 EAEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001074413278 686766208 /nfs/dbraw/zinc/76/62/08/686766208.db2.gz QTLOSBIAKNYSNF-KBPBESRZSA-N 1 2 346.391 -1.298 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 ZINC001074413279 686766425 /nfs/dbraw/zinc/76/64/25/686766425.db2.gz QTLOSBIAKNYSNF-KGLIPLIRSA-N 1 2 346.391 -1.298 20 30 EAEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 ZINC001074413279 686766423 /nfs/dbraw/zinc/76/64/23/686766423.db2.gz QTLOSBIAKNYSNF-KGLIPLIRSA-N 1 2 346.391 -1.298 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001074413280 686766244 /nfs/dbraw/zinc/76/62/44/686766244.db2.gz QTLOSBIAKNYSNF-UONOGXRCSA-N 1 2 346.391 -1.298 20 30 EAEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001074413280 686766237 /nfs/dbraw/zinc/76/62/37/686766237.db2.gz QTLOSBIAKNYSNF-UONOGXRCSA-N 1 2 346.391 -1.298 20 30 EAEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 ZINC001074413281 686766469 /nfs/dbraw/zinc/76/64/69/686766469.db2.gz 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C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001076708716 685276951 /nfs/dbraw/zinc/27/69/51/685276951.db2.gz DIQCPQHSNZWQFU-FRRDWIJNSA-N 1 2 337.376 -1.177 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001076708716 685276944 /nfs/dbraw/zinc/27/69/44/685276944.db2.gz DIQCPQHSNZWQFU-FRRDWIJNSA-N 1 2 337.376 -1.177 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001076708717 685277335 /nfs/dbraw/zinc/27/73/35/685277335.db2.gz DIQCPQHSNZWQFU-JHJVBQTASA-N 1 2 337.376 -1.177 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001076708717 685277329 /nfs/dbraw/zinc/27/73/29/685277329.db2.gz DIQCPQHSNZWQFU-JHJVBQTASA-N 1 2 337.376 -1.177 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001076711199 685277984 /nfs/dbraw/zinc/27/79/84/685277984.db2.gz GDXRZCXWKLODGJ-QLFBSQMISA-N 1 2 346.387 -1.118 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001076711199 685277979 /nfs/dbraw/zinc/27/79/79/685277979.db2.gz GDXRZCXWKLODGJ-QLFBSQMISA-N 1 2 346.387 -1.118 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001076711201 685277678 /nfs/dbraw/zinc/27/76/78/685277678.db2.gz GDXRZCXWKLODGJ-RBSFLKMASA-N 1 2 346.387 -1.118 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001076711201 685277671 /nfs/dbraw/zinc/27/76/71/685277671.db2.gz GDXRZCXWKLODGJ-RBSFLKMASA-N 1 2 346.387 -1.118 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001076713204 685277953 /nfs/dbraw/zinc/27/79/53/685277953.db2.gz PHKNLFCSYJIRBW-FRRDWIJNSA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001076713204 685277947 /nfs/dbraw/zinc/27/79/47/685277947.db2.gz PHKNLFCSYJIRBW-FRRDWIJNSA-N 1 2 347.375 -1.256 20 30 EAEDLO 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O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077001585 685330430 /nfs/dbraw/zinc/33/04/30/685330430.db2.gz AWFURPZUKFZHKJ-HUUCEWRRSA-N 1 2 326.360 -1.114 20 30 EAEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)s1 ZINC001077001961 685331173 /nfs/dbraw/zinc/33/11/73/685331173.db2.gz VLPZLQQYUOAMRY-VXGBXAGGSA-N 1 2 333.377 -1.032 20 30 EAEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)s1 ZINC001077001961 685331166 /nfs/dbraw/zinc/33/11/66/685331166.db2.gz VLPZLQQYUOAMRY-VXGBXAGGSA-N 1 2 333.377 -1.032 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077002692 685330967 /nfs/dbraw/zinc/33/09/67/685330967.db2.gz CRPYGZQGSCAPKF-GRYCIOLGSA-N 1 2 335.368 -2.379 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077002692 685330962 /nfs/dbraw/zinc/33/09/62/685330962.db2.gz CRPYGZQGSCAPKF-GRYCIOLGSA-N 1 2 335.368 -2.379 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077002693 685330829 /nfs/dbraw/zinc/33/08/29/685330829.db2.gz CRPYGZQGSCAPKF-IJLUTSLNSA-N 1 2 335.368 -2.379 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077002693 685330825 /nfs/dbraw/zinc/33/08/25/685330825.db2.gz CRPYGZQGSCAPKF-IJLUTSLNSA-N 1 2 335.368 -2.379 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063174 685341294 /nfs/dbraw/zinc/34/12/94/685341294.db2.gz BIZWNYKECKNAML-FRRDWIJNSA-N 1 2 334.380 -1.774 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063174 685341285 /nfs/dbraw/zinc/34/12/85/685341285.db2.gz BIZWNYKECKNAML-FRRDWIJNSA-N 1 2 334.380 -1.774 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063175 685341335 /nfs/dbraw/zinc/34/13/35/685341335.db2.gz BIZWNYKECKNAML-JHJVBQTASA-N 1 2 334.380 -1.774 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077063175 685341310 /nfs/dbraw/zinc/34/13/10/685341310.db2.gz BIZWNYKECKNAML-JHJVBQTASA-N 1 2 334.380 -1.774 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077158508 685362228 /nfs/dbraw/zinc/36/22/28/685362228.db2.gz IYPZBECTAYUEFR-QLFBSQMISA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077158508 685362223 /nfs/dbraw/zinc/36/22/23/685362223.db2.gz IYPZBECTAYUEFR-QLFBSQMISA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077158567 685362107 /nfs/dbraw/zinc/36/21/07/685362107.db2.gz LVOAQPZATDLYQU-QLFBSQMISA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077158567 685362098 /nfs/dbraw/zinc/36/20/98/685362098.db2.gz LVOAQPZATDLYQU-QLFBSQMISA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001077158571 685362809 /nfs/dbraw/zinc/36/28/09/685362809.db2.gz LYLYDNWDTUWWIF-FRRDWIJNSA-N 1 2 348.407 -2.133 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O ZINC001077158571 685362802 /nfs/dbraw/zinc/36/28/02/685362802.db2.gz LYLYDNWDTUWWIF-FRRDWIJNSA-N 1 2 348.407 -2.133 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001077158614 685362072 /nfs/dbraw/zinc/36/20/72/685362072.db2.gz OEETZPATCOUBJF-FRRDWIJNSA-N 1 2 333.396 -2.031 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001077158614 685362065 /nfs/dbraw/zinc/36/20/65/685362065.db2.gz OEETZPATCOUBJF-FRRDWIJNSA-N 1 2 333.396 -2.031 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077158616 685362885 /nfs/dbraw/zinc/36/28/85/685362885.db2.gz OFKFAENJAWSYKQ-HZSPNIEDSA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077158616 685362878 /nfs/dbraw/zinc/36/28/78/685362878.db2.gz OFKFAENJAWSYKQ-HZSPNIEDSA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077158675 685362960 /nfs/dbraw/zinc/36/29/60/685362960.db2.gz REAQQZCXIWXTOR-QLFBSQMISA-N 1 2 334.420 -1.522 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077158675 685362952 /nfs/dbraw/zinc/36/29/52/685362952.db2.gz REAQQZCXIWXTOR-QLFBSQMISA-N 1 2 334.420 -1.522 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001077158689 685362907 /nfs/dbraw/zinc/36/29/07/685362907.db2.gz RZLMASAUQKOHCE-HZSPNIEDSA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001077158689 685362899 /nfs/dbraw/zinc/36/28/99/685362899.db2.gz RZLMASAUQKOHCE-HZSPNIEDSA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077158735 685362564 /nfs/dbraw/zinc/36/25/64/685362564.db2.gz VSUZVPGQACNJPF-QLFBSQMISA-N 1 2 334.420 -1.476 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077158735 685362557 /nfs/dbraw/zinc/36/25/57/685362557.db2.gz VSUZVPGQACNJPF-QLFBSQMISA-N 1 2 334.420 -1.476 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077158751 685362013 /nfs/dbraw/zinc/36/20/13/685362013.db2.gz WHVZLDJDIRBWAV-OWCLPIDISA-N 1 2 348.447 -1.134 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077158751 685362006 /nfs/dbraw/zinc/36/20/06/685362006.db2.gz WHVZLDJDIRBWAV-OWCLPIDISA-N 1 2 348.447 -1.134 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC001077158780 685362686 /nfs/dbraw/zinc/36/26/86/685362686.db2.gz YCUVXGRLVMFJGW-OWCLPIDISA-N 1 2 348.447 -1.132 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC001077158780 685362678 /nfs/dbraw/zinc/36/26/78/685362678.db2.gz YCUVXGRLVMFJGW-OWCLPIDISA-N 1 2 348.447 -1.132 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001077158799 685362641 /nfs/dbraw/zinc/36/26/41/685362641.db2.gz ZFAPBXOEMDCKFN-FRRDWIJNSA-N 1 2 333.396 -2.031 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001077158799 685362633 /nfs/dbraw/zinc/36/26/33/685362633.db2.gz ZFAPBXOEMDCKFN-FRRDWIJNSA-N 1 2 333.396 -2.031 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)C[C@H]1O ZINC001077159149 685362773 /nfs/dbraw/zinc/36/27/73/685362773.db2.gz QTPLUFOEDKCLOO-HZSPNIEDSA-N 1 2 332.408 -1.128 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)C[C@H]1O ZINC001077159149 685362765 /nfs/dbraw/zinc/36/27/65/685362765.db2.gz QTPLUFOEDKCLOO-HZSPNIEDSA-N 1 2 332.408 -1.128 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077159277 685362587 /nfs/dbraw/zinc/36/25/87/685362587.db2.gz WWCKJQXNFMVZCM-QLFBSQMISA-N 1 2 332.408 -1.426 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077159277 685362579 /nfs/dbraw/zinc/36/25/79/685362579.db2.gz WWCKJQXNFMVZCM-QLFBSQMISA-N 1 2 332.408 -1.426 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001077182787 685367293 /nfs/dbraw/zinc/36/72/93/685367293.db2.gz GEPFXUIXXCQOHO-FRRDWIJNSA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001077182787 685367288 /nfs/dbraw/zinc/36/72/88/685367288.db2.gz GEPFXUIXXCQOHO-FRRDWIJNSA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001077182788 685367631 /nfs/dbraw/zinc/36/76/31/685367631.db2.gz GEPFXUIXXCQOHO-JHJVBQTASA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001077182788 685367627 /nfs/dbraw/zinc/36/76/27/685367627.db2.gz GEPFXUIXXCQOHO-JHJVBQTASA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001077183988 685368590 /nfs/dbraw/zinc/36/85/90/685368590.db2.gz KDDDGTYZTFRHIX-GRYCIOLGSA-N 1 2 349.391 -1.014 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001077183988 685368586 /nfs/dbraw/zinc/36/85/86/685368586.db2.gz KDDDGTYZTFRHIX-GRYCIOLGSA-N 1 2 349.391 -1.014 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001077183989 685368670 /nfs/dbraw/zinc/36/86/70/685368670.db2.gz KDDDGTYZTFRHIX-IJLUTSLNSA-N 1 2 349.391 -1.014 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001077183989 685368668 /nfs/dbraw/zinc/36/86/68/685368668.db2.gz KDDDGTYZTFRHIX-IJLUTSLNSA-N 1 2 349.391 -1.014 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001077199660 685373148 /nfs/dbraw/zinc/37/31/48/685373148.db2.gz YVDPCHWIWHHKQB-FRRDWIJNSA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001077199660 685373141 /nfs/dbraw/zinc/37/31/41/685373141.db2.gz YVDPCHWIWHHKQB-FRRDWIJNSA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001077199661 685373929 /nfs/dbraw/zinc/37/39/29/685373929.db2.gz YVDPCHWIWHHKQB-JHJVBQTASA-N 1 2 347.375 -1.256 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001077199661 685373923 /nfs/dbraw/zinc/37/39/23/685373923.db2.gz YVDPCHWIWHHKQB-JHJVBQTASA-N 1 2 347.375 -1.256 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001077251550 685384169 /nfs/dbraw/zinc/38/41/69/685384169.db2.gz GGHGIYSIIOHKPD-GHMZBOCLSA-N 1 2 327.362 -1.275 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001077251550 685384162 /nfs/dbraw/zinc/38/41/62/685384162.db2.gz GGHGIYSIIOHKPD-GHMZBOCLSA-N 1 2 327.362 -1.275 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001077299215 685398217 /nfs/dbraw/zinc/39/82/17/685398217.db2.gz VDLGKBOFCJYTEV-NXEZZACHSA-N 1 2 327.362 -1.275 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001077299215 685398213 /nfs/dbraw/zinc/39/82/13/685398213.db2.gz VDLGKBOFCJYTEV-NXEZZACHSA-N 1 2 327.362 -1.275 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001077316733 685405888 /nfs/dbraw/zinc/40/58/88/685405888.db2.gz QOUMYDGLWXNENZ-MBNYWOFBSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001077316733 685405881 /nfs/dbraw/zinc/40/58/81/685405881.db2.gz QOUMYDGLWXNENZ-MBNYWOFBSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001077316734 685405857 /nfs/dbraw/zinc/40/58/57/685405857.db2.gz QOUMYDGLWXNENZ-YRGRVCCFSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001077316734 685405852 /nfs/dbraw/zinc/40/58/52/685405852.db2.gz QOUMYDGLWXNENZ-YRGRVCCFSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001077427196 685439310 /nfs/dbraw/zinc/43/93/10/685439310.db2.gz XVPMSWGHDQNBDV-OUAUKWLOSA-N 1 2 331.394 -2.363 20 30 EAEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001077427196 685439305 /nfs/dbraw/zinc/43/93/05/685439305.db2.gz XVPMSWGHDQNBDV-OUAUKWLOSA-N 1 2 331.394 -2.363 20 30 EAEDLO N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430389 685442520 /nfs/dbraw/zinc/44/25/20/685442520.db2.gz KAGCCZLTALSEPF-TUVASFSCSA-N 1 2 338.408 -1.449 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001077430451 685442539 /nfs/dbraw/zinc/44/25/39/685442539.db2.gz MMBOCJAOPVNYAC-FPCVCCKLSA-N 1 2 337.420 -1.339 20 30 EAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001077430451 685442536 /nfs/dbraw/zinc/44/25/36/685442536.db2.gz MMBOCJAOPVNYAC-FPCVCCKLSA-N 1 2 337.420 -1.339 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001077442022 685453603 /nfs/dbraw/zinc/45/36/03/685453603.db2.gz NQAINRRANACXBT-ZIAGYGMSSA-N 1 2 327.348 -1.145 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001077442022 685453600 /nfs/dbraw/zinc/45/36/00/685453600.db2.gz NQAINRRANACXBT-ZIAGYGMSSA-N 1 2 327.348 -1.145 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001077480896 685464522 /nfs/dbraw/zinc/46/45/22/685464522.db2.gz COIHVSHNQYEZMZ-GHMZBOCLSA-N 1 2 330.352 -1.508 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001077480896 685464519 /nfs/dbraw/zinc/46/45/19/685464519.db2.gz COIHVSHNQYEZMZ-GHMZBOCLSA-N 1 2 330.352 -1.508 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001077495142 685558429 /nfs/dbraw/zinc/55/84/29/685558429.db2.gz TUUFOYWWXULCDG-GRYCIOLGSA-N 1 2 334.380 -1.325 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001077495142 685558428 /nfs/dbraw/zinc/55/84/28/685558428.db2.gz TUUFOYWWXULCDG-GRYCIOLGSA-N 1 2 334.380 -1.325 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001077495143 685558358 /nfs/dbraw/zinc/55/83/58/685558358.db2.gz TUUFOYWWXULCDG-IJLUTSLNSA-N 1 2 334.380 -1.325 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001077495143 685558355 /nfs/dbraw/zinc/55/83/55/685558355.db2.gz TUUFOYWWXULCDG-IJLUTSLNSA-N 1 2 334.380 -1.325 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001077514488 685566286 /nfs/dbraw/zinc/56/62/86/685566286.db2.gz XKTRXIONXCUOOB-NQBHXWOUSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001077514488 685566280 /nfs/dbraw/zinc/56/62/80/685566280.db2.gz XKTRXIONXCUOOB-NQBHXWOUSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001077514489 685566461 /nfs/dbraw/zinc/56/64/61/685566461.db2.gz XKTRXIONXCUOOB-NTZNESFSSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001077514489 685566458 /nfs/dbraw/zinc/56/64/58/685566458.db2.gz XKTRXIONXCUOOB-NTZNESFSSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537982 685585441 /nfs/dbraw/zinc/58/54/41/685585441.db2.gz RQSGYVVGYJKZGO-DXUDUQDWSA-N 1 2 335.404 -1.173 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537982 685585439 /nfs/dbraw/zinc/58/54/39/685585439.db2.gz RQSGYVVGYJKZGO-DXUDUQDWSA-N 1 2 335.404 -1.173 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537983 685585586 /nfs/dbraw/zinc/58/55/86/685585586.db2.gz RQSGYVVGYJKZGO-FVUFVHQMSA-N 1 2 335.404 -1.173 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537983 685585579 /nfs/dbraw/zinc/58/55/79/685585579.db2.gz RQSGYVVGYJKZGO-FVUFVHQMSA-N 1 2 335.404 -1.173 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001077586169 685610559 /nfs/dbraw/zinc/61/05/59/685610559.db2.gz KPTNNGAOHZMJKR-FRRDWIJNSA-N 1 2 347.375 -1.668 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001077586169 685610557 /nfs/dbraw/zinc/61/05/57/685610557.db2.gz KPTNNGAOHZMJKR-FRRDWIJNSA-N 1 2 347.375 -1.668 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001077586170 685610346 /nfs/dbraw/zinc/61/03/46/685610346.db2.gz KPTNNGAOHZMJKR-JHJVBQTASA-N 1 2 347.375 -1.668 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001077586170 685610340 /nfs/dbraw/zinc/61/03/40/685610340.db2.gz KPTNNGAOHZMJKR-JHJVBQTASA-N 1 2 347.375 -1.668 20 30 EAEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001077598727 685611003 /nfs/dbraw/zinc/61/10/03/685611003.db2.gz BCYRTCRXMMHYKA-IJLUTSLNSA-N 1 2 335.389 -1.038 20 30 EAEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001077598727 685610998 /nfs/dbraw/zinc/61/09/98/685610998.db2.gz BCYRTCRXMMHYKA-IJLUTSLNSA-N 1 2 335.389 -1.038 20 30 EAEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001077598728 685610846 /nfs/dbraw/zinc/61/08/46/685610846.db2.gz BCYRTCRXMMHYKA-QJPTWQEYSA-N 1 2 335.389 -1.038 20 30 EAEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001077598728 685610843 /nfs/dbraw/zinc/61/08/43/685610843.db2.gz BCYRTCRXMMHYKA-QJPTWQEYSA-N 1 2 335.389 -1.038 20 30 EAEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599185 685612719 /nfs/dbraw/zinc/61/27/19/685612719.db2.gz PWHGEHOLVZFZMY-RBSFLKMASA-N 1 2 328.372 -1.119 20 30 EAEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599185 685612718 /nfs/dbraw/zinc/61/27/18/685612718.db2.gz PWHGEHOLVZFZMY-RBSFLKMASA-N 1 2 328.372 -1.119 20 30 EAEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599186 685612722 /nfs/dbraw/zinc/61/27/22/685612722.db2.gz PWHGEHOLVZFZMY-RRFJBIMHSA-N 1 2 328.372 -1.119 20 30 EAEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599186 685612721 /nfs/dbraw/zinc/61/27/21/685612721.db2.gz PWHGEHOLVZFZMY-RRFJBIMHSA-N 1 2 328.372 -1.119 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001077625084 685615887 /nfs/dbraw/zinc/61/58/87/685615887.db2.gz PYTRXFKGTMVUHK-KGYLQXTDSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001077625084 685615882 /nfs/dbraw/zinc/61/58/82/685615882.db2.gz PYTRXFKGTMVUHK-KGYLQXTDSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001077625085 685615994 /nfs/dbraw/zinc/61/59/94/685615994.db2.gz PYTRXFKGTMVUHK-RAIGVLPGSA-N 1 2 349.391 -1.313 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001077625085 685615990 /nfs/dbraw/zinc/61/59/90/685615990.db2.gz PYTRXFKGTMVUHK-RAIGVLPGSA-N 1 2 349.391 -1.313 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)c1 ZINC001077648445 685618363 /nfs/dbraw/zinc/61/83/63/685618363.db2.gz KUADQGYWBAWUGY-HZSPNIEDSA-N 1 2 342.355 -1.357 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)c1 ZINC001077648445 685618361 /nfs/dbraw/zinc/61/83/61/685618361.db2.gz KUADQGYWBAWUGY-HZSPNIEDSA-N 1 2 342.355 -1.357 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)c1 ZINC001077648446 685618385 /nfs/dbraw/zinc/61/83/85/685618385.db2.gz KUADQGYWBAWUGY-MGPQQGTHSA-N 1 2 342.355 -1.357 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)c1 ZINC001077648446 685618383 /nfs/dbraw/zinc/61/83/83/685618383.db2.gz KUADQGYWBAWUGY-MGPQQGTHSA-N 1 2 342.355 -1.357 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001077651161 685618998 /nfs/dbraw/zinc/61/89/98/685618998.db2.gz VUWFAPJEUSDYSR-NXEZZACHSA-N 1 2 327.366 -2.145 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001077651161 685618996 /nfs/dbraw/zinc/61/89/96/685618996.db2.gz VUWFAPJEUSDYSR-NXEZZACHSA-N 1 2 327.366 -2.145 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001077668542 685621773 /nfs/dbraw/zinc/62/17/73/685621773.db2.gz DWONKNLMNIJNFI-APIJFGDWSA-N 1 2 335.404 -1.049 20 30 EAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001077668542 685621769 /nfs/dbraw/zinc/62/17/69/685621769.db2.gz DWONKNLMNIJNFI-APIJFGDWSA-N 1 2 335.404 -1.049 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001077801293 685641526 /nfs/dbraw/zinc/64/15/26/685641526.db2.gz KWGGWAXKSYDWQS-DMDPSCGWSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001077801293 685641524 /nfs/dbraw/zinc/64/15/24/685641524.db2.gz KWGGWAXKSYDWQS-DMDPSCGWSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001077801294 685641495 /nfs/dbraw/zinc/64/14/95/685641495.db2.gz KWGGWAXKSYDWQS-NQBHXWOUSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2O)nn1 ZINC001077801294 685641493 /nfs/dbraw/zinc/64/14/93/685641493.db2.gz KWGGWAXKSYDWQS-NQBHXWOUSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077801371 685641330 /nfs/dbraw/zinc/64/13/30/685641330.db2.gz OUUAWWGGKYNMIX-KWCYVHTRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077801371 685641327 /nfs/dbraw/zinc/64/13/27/685641327.db2.gz OUUAWWGGKYNMIX-KWCYVHTRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077801372 685641255 /nfs/dbraw/zinc/64/12/55/685641255.db2.gz OUUAWWGGKYNMIX-MRVWCRGKSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2O)nn1 ZINC001077801372 685641254 /nfs/dbraw/zinc/64/12/54/685641254.db2.gz OUUAWWGGKYNMIX-MRVWCRGKSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)nn1 ZINC001077802562 685641542 /nfs/dbraw/zinc/64/15/42/685641542.db2.gz NPNIZQICUXRCDR-KWCYVHTRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)nn1 ZINC001077802562 685641540 /nfs/dbraw/zinc/64/15/40/685641540.db2.gz NPNIZQICUXRCDR-KWCYVHTRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)nn1 ZINC001077802563 685641487 /nfs/dbraw/zinc/64/14/87/685641487.db2.gz NPNIZQICUXRCDR-MRVWCRGKSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)nn1 ZINC001077802563 685641485 /nfs/dbraw/zinc/64/14/85/685641485.db2.gz NPNIZQICUXRCDR-MRVWCRGKSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077802689 685641775 /nfs/dbraw/zinc/64/17/75/685641775.db2.gz UPEISZBJNOGQRY-KGYLQXTDSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077802689 685641770 /nfs/dbraw/zinc/64/17/70/685641770.db2.gz UPEISZBJNOGQRY-KGYLQXTDSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077802690 685641736 /nfs/dbraw/zinc/64/17/36/685641736.db2.gz UPEISZBJNOGQRY-RAIGVLPGSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077802690 685641730 /nfs/dbraw/zinc/64/17/30/685641730.db2.gz UPEISZBJNOGQRY-RAIGVLPGSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077812481 685643437 /nfs/dbraw/zinc/64/34/37/685643437.db2.gz HLOWVUJCDGFWTG-KWCYVHTRSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077812481 685643430 /nfs/dbraw/zinc/64/34/30/685643430.db2.gz HLOWVUJCDGFWTG-KWCYVHTRSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077812482 685643617 /nfs/dbraw/zinc/64/36/17/685643617.db2.gz HLOWVUJCDGFWTG-MRVWCRGKSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)nn1 ZINC001077812482 685643614 /nfs/dbraw/zinc/64/36/14/685643614.db2.gz HLOWVUJCDGFWTG-MRVWCRGKSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001077813849 685643959 /nfs/dbraw/zinc/64/39/59/685643959.db2.gz FXQOSZQHKCJTIE-KWCYVHTRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001077813849 685643953 /nfs/dbraw/zinc/64/39/53/685643953.db2.gz FXQOSZQHKCJTIE-KWCYVHTRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001077813850 685644169 /nfs/dbraw/zinc/64/41/69/685644169.db2.gz FXQOSZQHKCJTIE-MRVWCRGKSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2O)nn1 ZINC001077813850 685644164 /nfs/dbraw/zinc/64/41/64/685644164.db2.gz FXQOSZQHKCJTIE-MRVWCRGKSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2O)nn1 ZINC001077814220 685644187 /nfs/dbraw/zinc/64/41/87/685644187.db2.gz YXSGVRDINZVGTL-KGYLQXTDSA-N 1 2 336.396 -1.107 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2O)nn1 ZINC001077814220 685644183 /nfs/dbraw/zinc/64/41/83/685644183.db2.gz YXSGVRDINZVGTL-KGYLQXTDSA-N 1 2 336.396 -1.107 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2O)nn1 ZINC001077814221 685643941 /nfs/dbraw/zinc/64/39/41/685643941.db2.gz YXSGVRDINZVGTL-RAIGVLPGSA-N 1 2 336.396 -1.107 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2O)nn1 ZINC001077814221 685643935 /nfs/dbraw/zinc/64/39/35/685643935.db2.gz YXSGVRDINZVGTL-RAIGVLPGSA-N 1 2 336.396 -1.107 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077816884 685644571 /nfs/dbraw/zinc/64/45/71/685644571.db2.gz AXPGRSJGVKCPDR-CHWSQXEVSA-N 1 2 334.380 -1.637 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077816884 685644567 /nfs/dbraw/zinc/64/45/67/685644567.db2.gz AXPGRSJGVKCPDR-CHWSQXEVSA-N 1 2 334.380 -1.637 20 30 EAEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001077854348 685655893 /nfs/dbraw/zinc/65/58/93/685655893.db2.gz FRMSUTWDYAJHTH-VXGBXAGGSA-N 1 2 332.364 -1.191 20 30 EAEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001077854348 685655884 /nfs/dbraw/zinc/65/58/84/685655884.db2.gz FRMSUTWDYAJHTH-VXGBXAGGSA-N 1 2 332.364 -1.191 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077897383 685660040 /nfs/dbraw/zinc/66/00/40/685660040.db2.gz WTMYSXUJAXMIKU-FRRDWIJNSA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077897383 685660034 /nfs/dbraw/zinc/66/00/34/685660034.db2.gz WTMYSXUJAXMIKU-FRRDWIJNSA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077897384 685660055 /nfs/dbraw/zinc/66/00/55/685660055.db2.gz WTMYSXUJAXMIKU-JHJVBQTASA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077897384 685660054 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C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@@H](O)C2)C1=O ZINC001083752345 685595530 /nfs/dbraw/zinc/59/55/30/685595530.db2.gz PYTRXFKGTMVUHK-WXHSDQCUSA-N 1 2 349.391 -1.313 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)c1 ZINC001083765046 685599383 /nfs/dbraw/zinc/59/93/83/685599383.db2.gz KUADQGYWBAWUGY-MCIONIFRSA-N 1 2 342.355 -1.357 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)c1 ZINC001083765046 685599381 /nfs/dbraw/zinc/59/93/81/685599381.db2.gz KUADQGYWBAWUGY-MCIONIFRSA-N 1 2 342.355 -1.357 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)c1 ZINC001083765047 685599441 /nfs/dbraw/zinc/59/94/41/685599441.db2.gz KUADQGYWBAWUGY-RDBSUJKOSA-N 1 2 342.355 -1.357 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)c1 ZINC001083765047 685599439 /nfs/dbraw/zinc/59/94/39/685599439.db2.gz KUADQGYWBAWUGY-RDBSUJKOSA-N 1 2 342.355 -1.357 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001083767271 685600964 /nfs/dbraw/zinc/60/09/64/685600964.db2.gz VUWFAPJEUSDYSR-ZJUUUORDSA-N 1 2 327.366 -2.145 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001083767271 685600961 /nfs/dbraw/zinc/60/09/61/685600961.db2.gz VUWFAPJEUSDYSR-ZJUUUORDSA-N 1 2 327.366 -2.145 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@@H](O)C1 ZINC001083774383 685604727 /nfs/dbraw/zinc/60/47/27/685604727.db2.gz DWONKNLMNIJNFI-CBBWQLFWSA-N 1 2 335.404 -1.049 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@@H](O)C1 ZINC001083774383 685604723 /nfs/dbraw/zinc/60/47/23/685604723.db2.gz DWONKNLMNIJNFI-CBBWQLFWSA-N 1 2 335.404 -1.049 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083843515 685769736 /nfs/dbraw/zinc/76/97/36/685769736.db2.gz KWGGWAXKSYDWQS-LOWVWBTDSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083843515 685769726 /nfs/dbraw/zinc/76/97/26/685769726.db2.gz KWGGWAXKSYDWQS-LOWVWBTDSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083843516 685769999 /nfs/dbraw/zinc/76/99/99/685769999.db2.gz KWGGWAXKSYDWQS-WZRBSPASSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)nn1 ZINC001083843516 685769994 /nfs/dbraw/zinc/76/99/94/685769994.db2.gz KWGGWAXKSYDWQS-WZRBSPASSA-N 1 2 336.396 -1.284 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083843564 685770063 /nfs/dbraw/zinc/77/00/63/685770063.db2.gz NPNIZQICUXRCDR-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083843564 685770060 /nfs/dbraw/zinc/77/00/60/685770060.db2.gz NPNIZQICUXRCDR-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083843565 685769777 /nfs/dbraw/zinc/76/97/77/685769777.db2.gz NPNIZQICUXRCDR-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083843565 685769769 /nfs/dbraw/zinc/76/97/69/685769769.db2.gz NPNIZQICUXRCDR-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)nn1 ZINC001083843587 685769754 /nfs/dbraw/zinc/76/97/54/685769754.db2.gz OUUAWWGGKYNMIX-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)nn1 ZINC001083843587 685769748 /nfs/dbraw/zinc/76/97/48/685769748.db2.gz OUUAWWGGKYNMIX-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)nn1 ZINC001083843588 685769694 /nfs/dbraw/zinc/76/96/94/685769694.db2.gz OUUAWWGGKYNMIX-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)nn1 ZINC001083843588 685769689 /nfs/dbraw/zinc/76/96/89/685769689.db2.gz OUUAWWGGKYNMIX-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083843696 685769814 /nfs/dbraw/zinc/76/98/14/685769814.db2.gz UPEISZBJNOGQRY-RTXFEEFZSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083843696 685769809 /nfs/dbraw/zinc/76/98/09/685769809.db2.gz UPEISZBJNOGQRY-RTXFEEFZSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083843697 685769986 /nfs/dbraw/zinc/76/99/86/685769986.db2.gz UPEISZBJNOGQRY-WXHSDQCUSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083843697 685769983 /nfs/dbraw/zinc/76/99/83/685769983.db2.gz UPEISZBJNOGQRY-WXHSDQCUSA-N 1 2 334.380 -1.482 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083846580 685772591 /nfs/dbraw/zinc/77/25/91/685772591.db2.gz HLOWVUJCDGFWTG-BNOWGMLFSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083846580 685772587 /nfs/dbraw/zinc/77/25/87/685772587.db2.gz HLOWVUJCDGFWTG-BNOWGMLFSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083846581 685772674 /nfs/dbraw/zinc/77/26/74/685772674.db2.gz HLOWVUJCDGFWTG-XBFCOCLRSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)nn1 ZINC001083846581 685772672 /nfs/dbraw/zinc/77/26/72/685772672.db2.gz HLOWVUJCDGFWTG-XBFCOCLRSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083848941 685773661 /nfs/dbraw/zinc/77/36/61/685773661.db2.gz FXQOSZQHKCJTIE-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083848941 685773656 /nfs/dbraw/zinc/77/36/56/685773656.db2.gz FXQOSZQHKCJTIE-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083848942 685773674 /nfs/dbraw/zinc/77/36/74/685773674.db2.gz FXQOSZQHKCJTIE-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)nn1 ZINC001083848942 685773671 /nfs/dbraw/zinc/77/36/71/685773671.db2.gz FXQOSZQHKCJTIE-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2O)nn1 ZINC001083849322 685774114 /nfs/dbraw/zinc/77/41/14/685774114.db2.gz YXSGVRDINZVGTL-RTXFEEFZSA-N 1 2 336.396 -1.107 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]2O)nn1 ZINC001083849322 685774110 /nfs/dbraw/zinc/77/41/10/685774110.db2.gz YXSGVRDINZVGTL-RTXFEEFZSA-N 1 2 336.396 -1.107 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)nn1 ZINC001083849323 685774075 /nfs/dbraw/zinc/77/40/75/685774075.db2.gz YXSGVRDINZVGTL-WXHSDQCUSA-N 1 2 336.396 -1.107 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)nn1 ZINC001083849323 685774072 /nfs/dbraw/zinc/77/40/72/685774072.db2.gz YXSGVRDINZVGTL-WXHSDQCUSA-N 1 2 336.396 -1.107 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083850899 685774549 /nfs/dbraw/zinc/77/45/49/685774549.db2.gz AXPGRSJGVKCPDR-OLZOCXBDSA-N 1 2 334.380 -1.637 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083850899 685774544 /nfs/dbraw/zinc/77/45/44/685774544.db2.gz AXPGRSJGVKCPDR-OLZOCXBDSA-N 1 2 334.380 -1.637 20 30 EAEDLO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](O)C1 ZINC001083869898 685785655 /nfs/dbraw/zinc/78/56/55/685785655.db2.gz FRMSUTWDYAJHTH-NEPJUHHUSA-N 1 2 332.364 -1.191 20 30 EAEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](O)C1 ZINC001083869898 685785650 /nfs/dbraw/zinc/78/56/50/685785650.db2.gz FRMSUTWDYAJHTH-NEPJUHHUSA-N 1 2 332.364 -1.191 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891648 685793340 /nfs/dbraw/zinc/79/33/40/685793340.db2.gz WTMYSXUJAXMIKU-AGIUHOORSA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891648 685793333 /nfs/dbraw/zinc/79/33/33/685793333.db2.gz WTMYSXUJAXMIKU-AGIUHOORSA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891649 685793807 /nfs/dbraw/zinc/79/38/07/685793807.db2.gz WTMYSXUJAXMIKU-UPJWGTAASA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891649 685793800 /nfs/dbraw/zinc/79/38/00/685793800.db2.gz WTMYSXUJAXMIKU-UPJWGTAASA-N 1 2 333.392 -1.100 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cn(CC)nn3)[C@@H](O)C2)C1=O ZINC001083899878 685797410 /nfs/dbraw/zinc/79/74/10/685797410.db2.gz XECLGWKBLCXVOV-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cn(CC)nn3)[C@@H](O)C2)C1=O ZINC001083899878 685797406 /nfs/dbraw/zinc/79/74/06/685797406.db2.gz XECLGWKBLCXVOV-BNOWGMLFSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cn(CC)nn3)[C@@H](O)C2)C1=O ZINC001083899879 685797949 /nfs/dbraw/zinc/79/79/49/685797949.db2.gz XECLGWKBLCXVOV-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn(CC)nn3)[C@@H](O)C2)C1=O ZINC001083899879 685797943 /nfs/dbraw/zinc/79/79/43/685797943.db2.gz XECLGWKBLCXVOV-XBFCOCLRSA-N 1 2 348.407 -1.140 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3nonc3C)[C@@H](O)C2)C1=O ZINC001083905743 685798798 /nfs/dbraw/zinc/79/87/98/685798798.db2.gz KVYPGSJVSVIWEM-MCIONIFRSA-N 1 2 349.391 -1.131 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3nonc3C)[C@@H](O)C2)C1=O ZINC001083905743 685798790 /nfs/dbraw/zinc/79/87/90/685798790.db2.gz KVYPGSJVSVIWEM-MCIONIFRSA-N 1 2 349.391 -1.131 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3nonc3C)[C@@H](O)C2)C1=O ZINC001083905744 685798920 /nfs/dbraw/zinc/79/89/20/685798920.db2.gz KVYPGSJVSVIWEM-RDBSUJKOSA-N 1 2 349.391 -1.131 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3nonc3C)[C@@H](O)C2)C1=O ZINC001083905744 685798914 /nfs/dbraw/zinc/79/89/14/685798914.db2.gz KVYPGSJVSVIWEM-RDBSUJKOSA-N 1 2 349.391 -1.131 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)C1=O ZINC001083935627 686220289 /nfs/dbraw/zinc/22/02/89/686220289.db2.gz FLPZSEKTNLLXTH-UTUOFQBUSA-N 1 2 334.380 -1.705 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)C1=O ZINC001083935627 686220285 /nfs/dbraw/zinc/22/02/85/686220285.db2.gz FLPZSEKTNLLXTH-UTUOFQBUSA-N 1 2 334.380 -1.705 20 30 EAEDLO 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C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033510 686305429 /nfs/dbraw/zinc/30/54/29/686305429.db2.gz WJJMTOKYNRGKEK-AGIUHOORSA-N 1 2 334.380 -1.774 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033511 686305647 /nfs/dbraw/zinc/30/56/47/686305647.db2.gz WJJMTOKYNRGKEK-UPJWGTAASA-N 1 2 334.380 -1.774 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033511 686305642 /nfs/dbraw/zinc/30/56/42/686305642.db2.gz WJJMTOKYNRGKEK-UPJWGTAASA-N 1 2 334.380 -1.774 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccn(C)n3)[C@@H](O)C2)C1=O ZINC001084054345 686321081 /nfs/dbraw/zinc/32/10/81/686321081.db2.gz AVSJCGIMIZAWBH-MCIONIFRSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccn(C)n3)[C@@H](O)C2)C1=O ZINC001084054345 686321073 /nfs/dbraw/zinc/32/10/73/686321073.db2.gz AVSJCGIMIZAWBH-MCIONIFRSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccn(C)n3)[C@@H](O)C2)C1=O ZINC001084054346 686322151 /nfs/dbraw/zinc/32/21/51/686322151.db2.gz AVSJCGIMIZAWBH-RDBSUJKOSA-N 1 2 333.392 -1.018 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccn(C)n3)[C@@H](O)C2)C1=O ZINC001084054346 686322146 /nfs/dbraw/zinc/32/21/46/686322146.db2.gz AVSJCGIMIZAWBH-RDBSUJKOSA-N 1 2 333.392 -1.018 20 30 EAEDLO C#CCC[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001084054567 686321692 /nfs/dbraw/zinc/32/16/92/686321692.db2.gz MRODILMEAJQESP-OLZOCXBDSA-N 1 2 329.422 -2.099 20 30 EAEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001084054567 686321684 /nfs/dbraw/zinc/32/16/84/686321684.db2.gz MRODILMEAJQESP-OLZOCXBDSA-N 1 2 329.422 -2.099 20 30 EAEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)CC1 ZINC001084090148 686332540 /nfs/dbraw/zinc/33/25/40/686332540.db2.gz MEBYYMWHSDXCFH-OLZOCXBDSA-N 1 2 348.407 -1.483 20 30 EAEDLO 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C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]21 ZINC001084996006 686362761 /nfs/dbraw/zinc/36/27/61/686362761.db2.gz MKVSHHWHMIWXNW-AGIUHOORSA-N 1 2 339.417 -1.544 20 30 EAEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]21 ZINC001084996006 686362757 /nfs/dbraw/zinc/36/27/57/686362757.db2.gz MKVSHHWHMIWXNW-AGIUHOORSA-N 1 2 339.417 -1.544 20 30 EAEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085739855 686376299 /nfs/dbraw/zinc/37/62/99/686376299.db2.gz ACANRMUSFSYHQQ-NEPJUHHUSA-N 1 2 327.406 -1.544 20 30 EAEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085739855 686376291 /nfs/dbraw/zinc/37/62/91/686376291.db2.gz ACANRMUSFSYHQQ-NEPJUHHUSA-N 1 2 327.406 -1.544 20 30 EAEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085739856 686376721 /nfs/dbraw/zinc/37/67/21/686376721.db2.gz ACANRMUSFSYHQQ-RYUDHWBXSA-N 1 2 327.406 -1.544 20 30 EAEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001085739856 686376714 /nfs/dbraw/zinc/37/67/14/686376714.db2.gz ACANRMUSFSYHQQ-RYUDHWBXSA-N 1 2 327.406 -1.544 20 30 EAEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1CC ZINC001087667404 685161023 /nfs/dbraw/zinc/16/10/23/685161023.db2.gz WQDAWMMEJKIXGE-RWMBFGLXSA-N 1 2 341.433 -1.108 20 30 EAEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1CC ZINC001087667404 685161022 /nfs/dbraw/zinc/16/10/22/685161022.db2.gz WQDAWMMEJKIXGE-RWMBFGLXSA-N 1 2 341.433 -1.108 20 30 EAEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1CC ZINC001087670221 685160266 /nfs/dbraw/zinc/16/02/66/685160266.db2.gz IDSSCVNTBOMJQD-SDDRHHMPSA-N 1 2 327.406 -1.498 20 30 EAEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1CC ZINC001087670221 685160263 /nfs/dbraw/zinc/16/02/63/685160263.db2.gz IDSSCVNTBOMJQD-SDDRHHMPSA-N 1 2 327.406 -1.498 20 30 EAEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]2C1 ZINC001088050204 785673490 /nfs/dbraw/zinc/67/34/90/785673490.db2.gz VJXMKGHSSUKGLN-AGIUHOORSA-N 1 2 339.417 -1.687 20 30 EAEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]2C1 ZINC001088050204 785673485 /nfs/dbraw/zinc/67/34/85/785673485.db2.gz VJXMKGHSSUKGLN-AGIUHOORSA-N 1 2 339.417 -1.687 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277320 786278489 /nfs/dbraw/zinc/27/84/89/786278489.db2.gz UQLSOWNPDKPKLU-NXEZZACHSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277320 786278482 /nfs/dbraw/zinc/27/84/82/786278482.db2.gz UQLSOWNPDKPKLU-NXEZZACHSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277324 786278468 /nfs/dbraw/zinc/27/84/68/786278468.db2.gz UQLSOWNPDKPKLU-UWVGGRQHSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277324 786278462 /nfs/dbraw/zinc/27/84/62/786278462.db2.gz UQLSOWNPDKPKLU-UWVGGRQHSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277326 786279464 /nfs/dbraw/zinc/27/94/64/786279464.db2.gz UQLSOWNPDKPKLU-VHSXEESVSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277326 786279458 /nfs/dbraw/zinc/27/94/58/786279458.db2.gz UQLSOWNPDKPKLU-VHSXEESVSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277328 786279074 /nfs/dbraw/zinc/27/90/74/786279074.db2.gz UQLSOWNPDKPKLU-ZJUUUORDSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277328 786279070 /nfs/dbraw/zinc/27/90/70/786279070.db2.gz UQLSOWNPDKPKLU-ZJUUUORDSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090372935 786317147 /nfs/dbraw/zinc/31/71/47/786317147.db2.gz BSZCGJJNAUMMHQ-GHMZBOCLSA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090372935 786317139 /nfs/dbraw/zinc/31/71/39/786317139.db2.gz BSZCGJJNAUMMHQ-GHMZBOCLSA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090372936 786316097 /nfs/dbraw/zinc/31/60/97/786316097.db2.gz BSZCGJJNAUMMHQ-MNOVXSKESA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090372936 786316092 /nfs/dbraw/zinc/31/60/92/786316092.db2.gz BSZCGJJNAUMMHQ-MNOVXSKESA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090372937 786317262 /nfs/dbraw/zinc/31/72/62/786317262.db2.gz BSZCGJJNAUMMHQ-QWRGUYRKSA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090372937 786317257 /nfs/dbraw/zinc/31/72/57/786317257.db2.gz BSZCGJJNAUMMHQ-QWRGUYRKSA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090372938 786315974 /nfs/dbraw/zinc/31/59/74/786315974.db2.gz BSZCGJJNAUMMHQ-WDEREUQCSA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090372938 786315966 /nfs/dbraw/zinc/31/59/66/786315966.db2.gz BSZCGJJNAUMMHQ-WDEREUQCSA-N 1 2 329.788 -1.114 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090485734 786953173 /nfs/dbraw/zinc/95/31/73/786953173.db2.gz JVONCXDHZWHQFJ-NEPJUHHUSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090485734 786953168 /nfs/dbraw/zinc/95/31/68/786953168.db2.gz JVONCXDHZWHQFJ-NEPJUHHUSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090485735 786954175 /nfs/dbraw/zinc/95/41/75/786954175.db2.gz JVONCXDHZWHQFJ-NWDGAFQWSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090485735 786954171 /nfs/dbraw/zinc/95/41/71/786954171.db2.gz JVONCXDHZWHQFJ-NWDGAFQWSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090485736 786953324 /nfs/dbraw/zinc/95/33/24/786953324.db2.gz JVONCXDHZWHQFJ-RYUDHWBXSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090485736 786953317 /nfs/dbraw/zinc/95/33/17/786953317.db2.gz JVONCXDHZWHQFJ-RYUDHWBXSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090485737 786954205 /nfs/dbraw/zinc/95/42/05/786954205.db2.gz JVONCXDHZWHQFJ-VXGBXAGGSA-N 1 2 330.816 -1.278 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090485737 786954201 /nfs/dbraw/zinc/95/42/01/786954201.db2.gz JVONCXDHZWHQFJ-VXGBXAGGSA-N 1 2 330.816 -1.278 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090533967 787339957 /nfs/dbraw/zinc/33/99/57/787339957.db2.gz LBGYBBWOOOOCJD-KBPBESRZSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090533967 787339948 /nfs/dbraw/zinc/33/99/48/787339948.db2.gz LBGYBBWOOOOCJD-KBPBESRZSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090533968 787338960 /nfs/dbraw/zinc/33/89/60/787338960.db2.gz LBGYBBWOOOOCJD-KGLIPLIRSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090533968 787338958 /nfs/dbraw/zinc/33/89/58/787338958.db2.gz LBGYBBWOOOOCJD-KGLIPLIRSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090533969 787339092 /nfs/dbraw/zinc/33/90/92/787339092.db2.gz LBGYBBWOOOOCJD-UONOGXRCSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090533969 787339084 /nfs/dbraw/zinc/33/90/84/787339084.db2.gz LBGYBBWOOOOCJD-UONOGXRCSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090533970 787342192 /nfs/dbraw/zinc/34/21/92/787342192.db2.gz LBGYBBWOOOOCJD-ZIAGYGMSSA-N 1 2 344.371 -1.357 20 30 EAEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090533970 787342185 /nfs/dbraw/zinc/34/21/85/787342185.db2.gz LBGYBBWOOOOCJD-ZIAGYGMSSA-N 1 2 344.371 -1.357 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC001090636001 787374147 /nfs/dbraw/zinc/37/41/47/787374147.db2.gz AZONIPTWUQRCPG-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC001090636001 787374138 /nfs/dbraw/zinc/37/41/38/787374138.db2.gz AZONIPTWUQRCPG-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC001090636003 787375217 /nfs/dbraw/zinc/37/52/17/787375217.db2.gz AZONIPTWUQRCPG-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC001090636003 787375212 /nfs/dbraw/zinc/37/52/12/787375212.db2.gz AZONIPTWUQRCPG-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC001090636005 787375172 /nfs/dbraw/zinc/37/51/72/787375172.db2.gz AZONIPTWUQRCPG-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC001090636005 787375164 /nfs/dbraw/zinc/37/51/64/787375164.db2.gz AZONIPTWUQRCPG-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC001090636006 787374262 /nfs/dbraw/zinc/37/42/62/787374262.db2.gz AZONIPTWUQRCPG-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC001090636006 787374253 /nfs/dbraw/zinc/37/42/53/787374253.db2.gz AZONIPTWUQRCPG-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC001090636598 787375110 /nfs/dbraw/zinc/37/51/10/787375110.db2.gz GTLGFWJQENQNAB-GXTWGEPZSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC001090636598 787375099 /nfs/dbraw/zinc/37/50/99/787375099.db2.gz GTLGFWJQENQNAB-GXTWGEPZSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC001090636599 787374843 /nfs/dbraw/zinc/37/48/43/787374843.db2.gz GTLGFWJQENQNAB-JSGCOSHPSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC001090636599 787374833 /nfs/dbraw/zinc/37/48/33/787374833.db2.gz GTLGFWJQENQNAB-JSGCOSHPSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC001090636600 787373562 /nfs/dbraw/zinc/37/35/62/787373562.db2.gz GTLGFWJQENQNAB-OCCSQVGLSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC001090636600 787373557 /nfs/dbraw/zinc/37/35/57/787373557.db2.gz GTLGFWJQENQNAB-OCCSQVGLSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC001090636601 787374013 /nfs/dbraw/zinc/37/40/13/787374013.db2.gz GTLGFWJQENQNAB-TZMCWYRMSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC001090636601 787374000 /nfs/dbraw/zinc/37/40/00/787374000.db2.gz GTLGFWJQENQNAB-TZMCWYRMSA-N 1 2 348.407 -1.139 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2O)nn1 ZINC001090638284 787371560 /nfs/dbraw/zinc/37/15/60/787371560.db2.gz PDRKZQUNVKKIJT-GXTWGEPZSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2O)nn1 ZINC001090638284 787371549 /nfs/dbraw/zinc/37/15/49/787371549.db2.gz PDRKZQUNVKKIJT-GXTWGEPZSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2O)nn1 ZINC001090638288 787371078 /nfs/dbraw/zinc/37/10/78/787371078.db2.gz PDRKZQUNVKKIJT-JSGCOSHPSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2O)nn1 ZINC001090638288 787371068 /nfs/dbraw/zinc/37/10/68/787371068.db2.gz PDRKZQUNVKKIJT-JSGCOSHPSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2O)nn1 ZINC001090638289 787370711 /nfs/dbraw/zinc/37/07/11/787370711.db2.gz PDRKZQUNVKKIJT-OCCSQVGLSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2O)nn1 ZINC001090638289 787370696 /nfs/dbraw/zinc/37/06/96/787370696.db2.gz PDRKZQUNVKKIJT-OCCSQVGLSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2O)nn1 ZINC001090638291 787371708 /nfs/dbraw/zinc/37/17/08/787371708.db2.gz PDRKZQUNVKKIJT-TZMCWYRMSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2O)nn1 ZINC001090638291 787371703 /nfs/dbraw/zinc/37/17/03/787371703.db2.gz PDRKZQUNVKKIJT-TZMCWYRMSA-N 1 2 346.395 -1.042 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC001090638774 787372983 /nfs/dbraw/zinc/37/29/83/787372983.db2.gz RXARUPIRWYHJBS-GXTWGEPZSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC001090638774 787372973 /nfs/dbraw/zinc/37/29/73/787372973.db2.gz RXARUPIRWYHJBS-GXTWGEPZSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC001090638775 787374452 /nfs/dbraw/zinc/37/44/52/787374452.db2.gz RXARUPIRWYHJBS-JSGCOSHPSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC001090638775 787374443 /nfs/dbraw/zinc/37/44/43/787374443.db2.gz RXARUPIRWYHJBS-JSGCOSHPSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC001090638776 787375444 /nfs/dbraw/zinc/37/54/44/787375444.db2.gz RXARUPIRWYHJBS-OCCSQVGLSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC001090638776 787375436 /nfs/dbraw/zinc/37/54/36/787375436.db2.gz RXARUPIRWYHJBS-OCCSQVGLSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC001090638777 787375288 /nfs/dbraw/zinc/37/52/88/787375288.db2.gz RXARUPIRWYHJBS-TZMCWYRMSA-N 1 2 348.407 -1.092 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC001090638777 787375280 /nfs/dbraw/zinc/37/52/80/787375280.db2.gz RXARUPIRWYHJBS-TZMCWYRMSA-N 1 2 348.407 -1.092 20 30 EAEDLO C#CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](O)C1 ZINC001090651640 787380390 /nfs/dbraw/zinc/38/03/90/787380390.db2.gz JULYHGMEDVEDPX-NEPJUHHUSA-N 1 2 330.348 -1.744 20 30 EAEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](O)C1 ZINC001090651640 787380382 /nfs/dbraw/zinc/38/03/82/787380382.db2.gz JULYHGMEDVEDPX-NEPJUHHUSA-N 1 2 330.348 -1.744 20 30 EAEDLO C#CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](O)C1 ZINC001090651647 787383007 /nfs/dbraw/zinc/38/30/07/787383007.db2.gz JULYHGMEDVEDPX-NWDGAFQWSA-N 1 2 330.348 -1.744 20 30 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330.772 -1.158 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090794347 787423982 /nfs/dbraw/zinc/42/39/82/787423982.db2.gz OXJMQSYKUWQOSB-VHSXEESVSA-N 1 2 330.772 -1.158 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090794347 787423973 /nfs/dbraw/zinc/42/39/73/787423973.db2.gz OXJMQSYKUWQOSB-VHSXEESVSA-N 1 2 330.772 -1.158 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090794348 787424219 /nfs/dbraw/zinc/42/42/19/787424219.db2.gz OXJMQSYKUWQOSB-ZJUUUORDSA-N 1 2 330.772 -1.158 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090794348 787424207 /nfs/dbraw/zinc/42/42/07/787424207.db2.gz OXJMQSYKUWQOSB-ZJUUUORDSA-N 1 2 330.772 -1.158 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090829804 787437019 /nfs/dbraw/zinc/43/70/19/787437019.db2.gz GLTNVJVLCGPSMV-GXSJLCMTSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090829804 787437014 /nfs/dbraw/zinc/43/70/14/787437014.db2.gz GLTNVJVLCGPSMV-GXSJLCMTSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090829805 787436898 /nfs/dbraw/zinc/43/68/98/787436898.db2.gz GLTNVJVLCGPSMV-KOLCDFICSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090829805 787436892 /nfs/dbraw/zinc/43/68/92/787436892.db2.gz GLTNVJVLCGPSMV-KOLCDFICSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090829808 787437501 /nfs/dbraw/zinc/43/75/01/787437501.db2.gz GLTNVJVLCGPSMV-MWLCHTKSSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090829808 787437498 /nfs/dbraw/zinc/43/74/98/787437498.db2.gz GLTNVJVLCGPSMV-MWLCHTKSSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090829810 787436699 /nfs/dbraw/zinc/43/66/99/787436699.db2.gz GLTNVJVLCGPSMV-ONGXEEELSA-N 1 2 342.787 -1.319 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090829810 787436696 /nfs/dbraw/zinc/43/66/96/787436696.db2.gz GLTNVJVLCGPSMV-ONGXEEELSA-N 1 2 342.787 -1.319 20 30 EAEDLO C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@]2(C)C1 ZINC001091877828 787606042 /nfs/dbraw/zinc/60/60/42/787606042.db2.gz UWNCZSHVFWGXEF-XUJVJEKNSA-N 1 2 339.417 -1.687 20 30 EAEDLO C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@]2(C)C1 ZINC001091877828 787606037 /nfs/dbraw/zinc/60/60/37/787606037.db2.gz UWNCZSHVFWGXEF-XUJVJEKNSA-N 1 2 339.417 -1.687 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1O ZINC001092144426 787612571 /nfs/dbraw/zinc/61/25/71/787612571.db2.gz ZCJJUAFIJHHIFO-CHWSQXEVSA-N 1 2 331.376 -1.020 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC001092144427 787613080 /nfs/dbraw/zinc/61/30/80/787613080.db2.gz ZCJJUAFIJHHIFO-OLZOCXBDSA-N 1 2 331.376 -1.020 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1O ZINC001092144428 787612972 /nfs/dbraw/zinc/61/29/72/787612972.db2.gz ZCJJUAFIJHHIFO-QWHCGFSZSA-N 1 2 331.376 -1.020 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC001092144429 787612170 /nfs/dbraw/zinc/61/21/70/787612170.db2.gz ZCJJUAFIJHHIFO-STQMWFEESA-N 1 2 331.376 -1.020 20 30 EAEDLO C[C@H](C#N)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCC(=O)NC3=O)nn2)C1 ZINC001093312263 787656189 /nfs/dbraw/zinc/65/61/89/787656189.db2.gz QALBIOBXXRREEQ-BXKDBHETSA-N 1 2 345.363 -1.284 20 30 EAEDLO C[C@@H](C#N)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCC(=O)NC3=O)nn2)C1 ZINC001093312267 787655206 /nfs/dbraw/zinc/65/52/06/787655206.db2.gz QALBIOBXXRREEQ-CABZTGNLSA-N 1 2 345.363 -1.284 20 30 EAEDLO C[C@@H](C#N)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCC(=O)NC3=O)nn2)C1 ZINC001093312269 787655295 /nfs/dbraw/zinc/65/52/95/787655295.db2.gz QALBIOBXXRREEQ-JOYOIKCWSA-N 1 2 345.363 -1.284 20 30 EAEDLO C[C@H](C#N)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCC(=O)NC3=O)nn2)C1 ZINC001093312274 787655177 /nfs/dbraw/zinc/65/51/77/787655177.db2.gz QALBIOBXXRREEQ-SKDRFNHKSA-N 1 2 345.363 -1.284 20 30 EAEDLO C=CCN1CC[C@@H]([NH2+]Cc2cn(C3CN(C(=O)C(N)=O)C3)nn2)C1=O ZINC001093332648 787656197 /nfs/dbraw/zinc/65/61/97/787656197.db2.gz DSTNYNYHAIBQGD-GFCCVEGCSA-N 1 2 347.379 -1.977 20 30 EAEDLO C=CCN1CC[C@H]([NH2+]Cc2cn(C3CN(C(=O)C(N)=O)C3)nn2)C1=O ZINC001093332649 787655400 /nfs/dbraw/zinc/65/54/00/787655400.db2.gz DSTNYNYHAIBQGD-LBPRGKRZSA-N 1 2 347.379 -1.977 20 30 EAEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccnc(C#N)n1 ZINC001094085034 787683668 /nfs/dbraw/zinc/68/36/68/787683668.db2.gz JOIDTHJOFJOQIW-LBPRGKRZSA-N 1 2 342.363 -1.231 20 30 EAEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccnc(C#N)n1 ZINC001094085034 787683663 /nfs/dbraw/zinc/68/36/63/787683663.db2.gz JOIDTHJOFJOQIW-LBPRGKRZSA-N 1 2 342.363 -1.231 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CS(=O)(=O)C3)nn2)C1 ZINC001094292356 787700434 /nfs/dbraw/zinc/70/04/34/787700434.db2.gz BPKOPHJWGKXNRZ-UHFFFAOYSA-N 1 2 325.394 -1.018 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3CS(=O)(=O)C3)nn2)C1 ZINC001094292785 787699843 /nfs/dbraw/zinc/69/98/43/787699843.db2.gz HSEKQHWRZQAMBH-UHFFFAOYSA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094297138 787702576 /nfs/dbraw/zinc/70/25/76/787702576.db2.gz YDZJXBHJFIVZLE-HNNXBMFYSA-N 1 2 332.408 -1.159 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094297138 787702568 /nfs/dbraw/zinc/70/25/68/787702568.db2.gz YDZJXBHJFIVZLE-HNNXBMFYSA-N 1 2 332.408 -1.159 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094297158 787701332 /nfs/dbraw/zinc/70/13/32/787701332.db2.gz YZHLULFDOBAJNM-AWEZNQCLSA-N 1 2 345.407 -1.666 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094297158 787701324 /nfs/dbraw/zinc/70/13/24/787701324.db2.gz YZHLULFDOBAJNM-AWEZNQCLSA-N 1 2 345.407 -1.666 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CN(C)C(=O)N3)nn2)C1 ZINC001094311157 787696026 /nfs/dbraw/zinc/69/60/26/787696026.db2.gz MEOGJQNIQLCORJ-CYBMUJFWSA-N 1 2 331.380 -1.202 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CN(C)C(=O)N3)nn2)C1 ZINC001094311158 787696096 /nfs/dbraw/zinc/69/60/96/787696096.db2.gz MEOGJQNIQLCORJ-ZDUSSCGKSA-N 1 2 331.380 -1.202 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)nn2)C1 ZINC001094319273 787697104 /nfs/dbraw/zinc/69/71/04/787697104.db2.gz XEDFFFZWALBPBF-UONOGXRCSA-N 1 2 346.391 -1.193 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)nn2)C1 ZINC001094319308 787697234 /nfs/dbraw/zinc/69/72/34/787697234.db2.gz YUQNTTNOHCJUMC-QWHCGFSZSA-N 1 2 334.380 -1.030 20 30 EAEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)nn2)C1 ZINC001094323893 787708363 /nfs/dbraw/zinc/70/83/63/787708363.db2.gz IZVOIXKRXBFYBX-LBPRGKRZSA-N 1 2 347.379 -1.075 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)nn2)C1 ZINC001094323942 787708489 /nfs/dbraw/zinc/70/84/89/787708489.db2.gz KTGZNPNWUSOMLU-NSHDSACASA-N 1 2 333.352 -1.465 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)nn2)C1 ZINC001094324410 787708552 /nfs/dbraw/zinc/70/85/52/787708552.db2.gz VJXBKCUKBWQEQW-LBPRGKRZSA-N 1 2 345.363 -1.628 20 30 EAEDLO C=CCn1cc(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)nn1 ZINC001094325382 787708587 /nfs/dbraw/zinc/70/85/87/787708587.db2.gz LUJKARNGLIGONM-UHFFFAOYSA-N 1 2 332.368 -1.165 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3CC(=O)NC(=O)C3)nn2)C1 ZINC001094326911 787703237 /nfs/dbraw/zinc/70/32/37/787703237.db2.gz TZGAYJBXLKOMBW-UHFFFAOYSA-N 1 2 344.375 -1.173 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CC(=O)NC(=O)C3)nn2)C1 ZINC001094327001 787703344 /nfs/dbraw/zinc/70/33/44/787703344.db2.gz XSEAIPYQURBDRF-UHFFFAOYSA-N 1 2 332.364 -1.010 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCS(=O)(=O)N3)nn2)C1 ZINC001094339209 787706510 /nfs/dbraw/zinc/70/65/10/787706510.db2.gz WKAMONTXXKRVPM-GFCCVEGCSA-N 1 2 340.409 -1.371 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)nn2)C1 ZINC001094339211 787706294 /nfs/dbraw/zinc/70/62/94/787706294.db2.gz WKAMONTXXKRVPM-LBPRGKRZSA-N 1 2 340.409 -1.371 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cn(CC(N)=O)nn3)nn2)C1 ZINC001094339811 787708081 /nfs/dbraw/zinc/70/80/81/787708081.db2.gz ZDSLXMIWCFVNSH-UHFFFAOYSA-N 1 2 345.367 -1.672 20 30 EAEDLO C#CCN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674264 787723943 /nfs/dbraw/zinc/72/39/43/787723943.db2.gz FMRUPPIZBDDZAO-UONOGXRCSA-N 1 2 336.417 -1.094 20 30 EAEDLO Cn1c[nH+]cc1CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094674560 787724457 /nfs/dbraw/zinc/72/44/57/787724457.db2.gz UNDOUMFCJJHPMD-QWHCGFSZSA-N 1 2 337.405 -1.204 20 30 EAEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094727318 787747787 /nfs/dbraw/zinc/74/77/87/787747787.db2.gz KLYIKDCSVKJJMF-LLVKDONJSA-N 1 2 334.380 -1.039 20 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787758753 /nfs/dbraw/zinc/75/87/53/787758753.db2.gz GDQTWXBXGZGDIP-JQWIXIFHSA-N 1 2 349.391 -1.438 20 30 EAEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC2=O)C1 ZINC001094745410 787759041 /nfs/dbraw/zinc/75/90/41/787759041.db2.gz GDQTWXBXGZGDIP-PWSUYJOCSA-N 1 2 349.391 -1.438 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CN3CCOCC3=O)CC2=O)C1 ZINC001094745572 787758047 /nfs/dbraw/zinc/75/80/47/787758047.db2.gz JDIBCDLNDGBKEE-GFCCVEGCSA-N 1 2 336.392 -1.568 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CCOCC3=O)CC2=O)C1 ZINC001094745573 787758920 /nfs/dbraw/zinc/75/89/20/787758920.db2.gz JDIBCDLNDGBKEE-LBPRGKRZSA-N 1 2 336.392 -1.568 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC2=O)C1 ZINC001094746150 787759666 /nfs/dbraw/zinc/75/96/66/787759666.db2.gz SJPACKBKZCZFRY-KOLCDFICSA-N 1 2 335.364 -1.828 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC2=O)C1 ZINC001094746151 787760204 /nfs/dbraw/zinc/76/02/04/787760204.db2.gz SJPACKBKZCZFRY-ONGXEEELSA-N 1 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787772840 /nfs/dbraw/zinc/77/28/40/787772840.db2.gz RRDRPVGVXZUEDL-ZDUSSCGKSA-N 1 2 349.435 -1.604 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2=O)C1 ZINC001094782727 787781654 /nfs/dbraw/zinc/78/16/54/787781654.db2.gz DLHAESPLJKIQFH-KGYLQXTDSA-N 1 2 336.392 -1.393 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2=O)C1 ZINC001094782728 787781582 /nfs/dbraw/zinc/78/15/82/787781582.db2.gz DLHAESPLJKIQFH-WCFLWFBJSA-N 1 2 336.392 -1.393 20 30 EAEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2=O)C1 ZINC001094791540 787783908 /nfs/dbraw/zinc/78/39/08/787783908.db2.gz GRZCVQXYBDCKLT-JQWIXIFHSA-N 1 2 349.391 -1.438 20 30 EAEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2=O)C1 ZINC001094791542 787784422 /nfs/dbraw/zinc/78/44/22/787784422.db2.gz GRZCVQXYBDCKLT-PWSUYJOCSA-N 1 2 349.391 -1.438 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2=O)C1 ZINC001094791577 787783800 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C=CC[NH+]1CC(N2C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC2=O)C1 ZINC001094813110 787790024 /nfs/dbraw/zinc/79/00/24/787790024.db2.gz BZVUQMNBYUPJQR-JTQLQIEISA-N 1 2 335.364 -1.875 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CN3C(=O)CNC3=O)CC2=O)C1 ZINC001094813111 787789531 /nfs/dbraw/zinc/78/95/31/787789531.db2.gz BZVUQMNBYUPJQR-SNVBAGLBSA-N 1 2 335.364 -1.875 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)CC2=O)C1 ZINC001094813891 787790889 /nfs/dbraw/zinc/79/08/89/787790889.db2.gz URGFTQMDXZRETM-JTQLQIEISA-N 1 2 347.375 -1.313 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)CC2=O)C1 ZINC001094813892 787790908 /nfs/dbraw/zinc/79/09/08/787790908.db2.gz URGFTQMDXZRETM-SNVBAGLBSA-N 1 2 347.375 -1.313 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccc(=O)n(C)n3)CC2=O)C1 ZINC001094813959 787791226 /nfs/dbraw/zinc/79/12/26/787791226.db2.gz XHFDXWLGIGSEJI-LLVKDONJSA-N 1 2 331.376 -1.019 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CC2=O)C1 ZINC001094813960 787791474 /nfs/dbraw/zinc/79/14/74/787791474.db2.gz XHFDXWLGIGSEJI-NSHDSACASA-N 1 2 331.376 -1.019 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CN3C(=O)CCC3=O)CC2=O)C1 ZINC001094815530 787792614 /nfs/dbraw/zinc/79/26/14/787792614.db2.gz WFFRJPAEUZVTJE-LLVKDONJSA-N 1 2 334.376 -1.277 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CN3C(=O)CCC3=O)CC2=O)C1 ZINC001094815531 787792213 /nfs/dbraw/zinc/79/22/13/787792213.db2.gz WFFRJPAEUZVTJE-NSHDSACASA-N 1 2 334.376 -1.277 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3nccnc3C(N)=O)CC2=O)C1 ZINC001094815542 787792553 /nfs/dbraw/zinc/79/25/53/787792553.db2.gz WQROMLMOIFPKTB-JTQLQIEISA-N 1 2 344.375 -1.224 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3nccnc3C(N)=O)CC2=O)C1 ZINC001094815543 787791918 /nfs/dbraw/zinc/79/19/18/787791918.db2.gz WQROMLMOIFPKTB-SNVBAGLBSA-N 1 2 344.375 -1.224 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)CC2=O)C1 ZINC001094817411 787794084 /nfs/dbraw/zinc/79/40/84/787794084.db2.gz LLZRZXLCNHGPRG-JTQLQIEISA-N 1 2 347.379 -2.036 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)CC2=O)C1 ZINC001094817412 787793899 /nfs/dbraw/zinc/79/38/99/787793899.db2.gz LLZRZXLCNHGPRG-SNVBAGLBSA-N 1 2 347.379 -2.036 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)CC2=O)C1 ZINC001094817935 787793891 /nfs/dbraw/zinc/79/38/91/787793891.db2.gz URWDRTPGGGJTCJ-CMPLNLGQSA-N 1 2 342.421 -1.735 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)CC2=O)C1 ZINC001094817936 787793561 /nfs/dbraw/zinc/79/35/61/787793561.db2.gz URWDRTPGGGJTCJ-JQWIXIFHSA-N 1 2 342.421 -1.735 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)CC2=O)C1 ZINC001094817937 787793875 /nfs/dbraw/zinc/79/38/75/787793875.db2.gz URWDRTPGGGJTCJ-PWSUYJOCSA-N 1 2 342.421 -1.735 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)CC2=O)C1 ZINC001094817938 787794039 /nfs/dbraw/zinc/79/40/39/787794039.db2.gz URWDRTPGGGJTCJ-ZYHUDNBSSA-N 1 2 342.421 -1.735 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)c(=O)n3C)CC2=O)C1 ZINC001094819299 787794504 /nfs/dbraw/zinc/79/45/04/787794504.db2.gz MPPZIQDMTCHCIC-LLVKDONJSA-N 1 2 333.392 -1.075 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CC2=O)C1 ZINC001094819300 787795180 /nfs/dbraw/zinc/79/51/80/787795180.db2.gz MPPZIQDMTCHCIC-NSHDSACASA-N 1 2 333.392 -1.075 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094824405 787803607 /nfs/dbraw/zinc/80/36/07/787803607.db2.gz HFXPUUCDIRKCQR-GHMZBOCLSA-N 1 2 334.376 -1.374 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094824406 787802700 /nfs/dbraw/zinc/80/27/00/787802700.db2.gz HFXPUUCDIRKCQR-MNOVXSKESA-N 1 2 334.376 -1.374 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094824407 787802382 /nfs/dbraw/zinc/80/23/82/787802382.db2.gz HFXPUUCDIRKCQR-QWRGUYRKSA-N 1 2 334.376 -1.374 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094824408 787803061 /nfs/dbraw/zinc/80/30/61/787803061.db2.gz HFXPUUCDIRKCQR-WDEREUQCSA-N 1 2 334.376 -1.374 20 30 EAEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803318 791634750 /nfs/dbraw/zinc/63/47/50/791634750.db2.gz HSXXLVQUBBNDAE-RHYQMDGZSA-N 1 2 327.406 -1.193 20 30 EAEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803318 791634747 /nfs/dbraw/zinc/63/47/47/791634747.db2.gz HSXXLVQUBBNDAE-RHYQMDGZSA-N 1 2 327.406 -1.193 20 30 EAEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803419 791635756 /nfs/dbraw/zinc/63/57/56/791635756.db2.gz MFKYKMOHKBVNGK-VOAKCMCISA-N 1 2 339.417 -1.356 20 30 EAEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803419 791635749 /nfs/dbraw/zinc/63/57/49/791635749.db2.gz MFKYKMOHKBVNGK-VOAKCMCISA-N 1 2 339.417 -1.356 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)nn1 ZINC001096263488 791976529 /nfs/dbraw/zinc/97/65/29/791976529.db2.gz CHWJJVIMWIDWLT-UHFFFAOYSA-N 1 2 332.368 -1.745 20 30 EAEDLO N#Cc1cccnc1N1CC[NH+](CCNC(=O)CNC(N)=O)CC1 ZINC001096263531 791974707 /nfs/dbraw/zinc/97/47/07/791974707.db2.gz DBKDXMWYNAKDSX-UHFFFAOYSA-N 1 2 331.380 -1.140 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)n1 ZINC001096263761 791974681 /nfs/dbraw/zinc/97/46/81/791974681.db2.gz FZXKLJDPFRRMAP-UHFFFAOYSA-N 1 2 332.368 -1.745 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)cn1 ZINC001096264013 791975658 /nfs/dbraw/zinc/97/56/58/791975658.db2.gz KWYXBFATFOYZCC-UHFFFAOYSA-N 1 2 332.368 -1.745 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)n1 ZINC001096264089 791976893 /nfs/dbraw/zinc/97/68/93/791976893.db2.gz NCDYEKVERKZTSO-UHFFFAOYSA-N 1 2 332.368 -1.745 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)cn1 ZINC001096264132 791976121 /nfs/dbraw/zinc/97/61/21/791976121.db2.gz PBCBTEFWEABSKQ-UHFFFAOYSA-N 1 2 331.380 -1.140 20 30 EAEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)CNC(N)=O)CC1 ZINC001096264276 791975866 /nfs/dbraw/zinc/97/58/66/791975866.db2.gz RVWFHWMLEDUNJX-UHFFFAOYSA-N 1 2 331.380 -1.140 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)nc1 ZINC001096264336 791976850 /nfs/dbraw/zinc/97/68/50/791976850.db2.gz UVFHEWLFXJFQKR-UHFFFAOYSA-N 1 2 331.380 -1.140 20 30 EAEDLO Cc1cc(C#N)nc(N2CC[NH+](CCNC(=O)CNC(N)=O)CC2)n1 ZINC001096264412 791976277 /nfs/dbraw/zinc/97/62/77/791976277.db2.gz XPQSTPWGZMJPBY-UHFFFAOYSA-N 1 2 346.395 -1.437 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3cnnn3)CC2)nn1 ZINC001096265547 791976043 /nfs/dbraw/zinc/97/60/43/791976043.db2.gz IMNNNNKNSUWUOZ-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)Cn2cnnn2)CC1 ZINC001096265573 791975943 /nfs/dbraw/zinc/97/59/43/791975943.db2.gz JKYBVBDZUKKFMJ-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3cnnn3)CC2)nc1 ZINC001096265726 791976571 /nfs/dbraw/zinc/97/65/71/791976571.db2.gz MZUCQHDOCIAWFS-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)Cn3cnnn3)CC2)n1 ZINC001096265731 791976735 /nfs/dbraw/zinc/97/67/35/791976735.db2.gz NFUWMNXPQBBEJZ-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1cccnc1N1CC[NH+](CCNC(=O)Cn2cnnn2)CC1 ZINC001096265772 791976331 /nfs/dbraw/zinc/97/63/31/791976331.db2.gz PYPOPJVURHRONC-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3cnnn3)CC2)cn1 ZINC001096265870 791976348 /nfs/dbraw/zinc/97/63/48/791976348.db2.gz WKEALCIGAOUMQH-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)Cn3cnnn3)CC2)cn1 ZINC001096265891 791975702 /nfs/dbraw/zinc/97/57/02/791975702.db2.gz WRGFFVJUSVTIEC-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)Cn3cnnn3)CC2)n1 ZINC001096265894 791975626 /nfs/dbraw/zinc/97/56/26/791975626.db2.gz XEDHBAQRXQKFRP-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096267621 791976295 /nfs/dbraw/zinc/97/62/95/791976295.db2.gz DKYBARLVDYEXFD-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096267867 791976551 /nfs/dbraw/zinc/97/65/51/791976551.db2.gz NBVZZWYWJCDCDV-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096268120 791976636 /nfs/dbraw/zinc/97/66/36/791976636.db2.gz YOAHBCKOEGJMJM-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096268124 791976503 /nfs/dbraw/zinc/97/65/03/791976503.db2.gz YSYQKUUSFYVUGV-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096268488 791976653 /nfs/dbraw/zinc/97/66/53/791976653.db2.gz BAVWKBVTMNRYEO-UHFFFAOYSA-N 1 2 347.379 -1.058 20 30 EAEDLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096268617 791975833 /nfs/dbraw/zinc/97/58/33/791975833.db2.gz IXXOPVZXXQIXHE-UHFFFAOYSA-N 1 2 347.379 -1.058 20 30 EAEDLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096268661 791975407 /nfs/dbraw/zinc/97/54/07/791975407.db2.gz KSYYCQKSNNQMKY-UHFFFAOYSA-N 1 2 347.379 -1.058 20 30 EAEDLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096268890 791976832 /nfs/dbraw/zinc/97/68/32/791976832.db2.gz WCCISRIHHAUFOI-UHFFFAOYSA-N 1 2 347.379 -1.058 20 30 EAEDLO C=CCOCC(=O)NCC[NH+]1CCN(c2ccc3nnnn3n2)CC1 ZINC001096272920 791975784 /nfs/dbraw/zinc/97/57/84/791975784.db2.gz FJRJPBPJXKKYIA-UHFFFAOYSA-N 1 2 346.395 -1.040 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@H]3CCC(=O)N3)CC2)cn1 ZINC001096272921 791976642 /nfs/dbraw/zinc/97/66/42/791976642.db2.gz FLHVAPZNPJVFDW-CYBMUJFWSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC001096273292 791975319 /nfs/dbraw/zinc/97/53/19/791975319.db2.gz LDACUZBZLRFCDU-GFCCVEGCSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC001096273332 791975584 /nfs/dbraw/zinc/97/55/84/791975584.db2.gz MCZUWVIQKBGERU-CYBMUJFWSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC(=O)N3)CC2)nn1 ZINC001096273521 791975363 /nfs/dbraw/zinc/97/53/63/791975363.db2.gz RMLYEERMXJSSLR-CYBMUJFWSA-N 1 2 343.391 -1.135 20 30 EAEDLO C=CCOCC(=O)NCC[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC001096273863 791975563 /nfs/dbraw/zinc/97/55/63/791975563.db2.gz ZHATZMMCPMRLPO-UHFFFAOYSA-N 1 2 346.395 -1.040 20 30 EAEDLO Cc1cc(C#N)nc(N2CC[NH+](CCNC(=O)CC(N)=O)CC2)n1 ZINC001096275230 791975606 /nfs/dbraw/zinc/97/56/06/791975606.db2.gz UMFTVBBRMUVXCZ-UHFFFAOYSA-N 1 2 331.380 -1.230 20 30 EAEDLO C#CCNC(=O)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001096275576 791976758 /nfs/dbraw/zinc/97/67/58/791976758.db2.gz BGNNMPBRTKSSRB-UHFFFAOYSA-N 1 2 330.392 -1.146 20 30 EAEDLO C#CCNC(=O)CC(=O)NCC[NH+]1CCN(c2cnc(F)cn2)CC1 ZINC001096275639 791975683 /nfs/dbraw/zinc/97/56/83/791975683.db2.gz FWODBKUOLVNSDQ-UHFFFAOYSA-N 1 2 348.382 -1.007 20 30 EAEDLO C#CCNC(=O)CC(=O)NCC[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC001096275643 791976239 /nfs/dbraw/zinc/97/62/39/791976239.db2.gz GGRDWJQLHKMQEQ-UHFFFAOYSA-N 1 2 348.382 -1.007 20 30 EAEDLO C#CCNC(=O)CC(=O)NCC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC001096276001 791976174 /nfs/dbraw/zinc/97/61/74/791976174.db2.gz SCSOLZMDZHLGSI-UHFFFAOYSA-N 1 2 348.382 -1.007 20 30 EAEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC001096277746 791978836 /nfs/dbraw/zinc/97/88/36/791978836.db2.gz GTRRSKRSHSRSQT-LLVKDONJSA-N 1 2 329.368 -1.083 20 30 EAEDLO C[C@@H](C#N)C(=O)NCC[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC001096277747 791977950 /nfs/dbraw/zinc/97/79/50/791977950.db2.gz GTRRSKRSHSRSQT-NSHDSACASA-N 1 2 329.368 -1.083 20 30 EAEDLO CNC(=O)CC(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096279625 791978260 /nfs/dbraw/zinc/97/82/60/791978260.db2.gz CELZOIXPUUTSTA-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO CNC(=O)CC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096280061 791977878 /nfs/dbraw/zinc/97/78/78/791977878.db2.gz UVRUKUKXZJDKGJ-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO CNC(=O)CC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096280298 791978444 /nfs/dbraw/zinc/97/84/44/791978444.db2.gz ZXWSFCVYMIVYIZ-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@H]3COC(=O)N3)CC2)cn1 ZINC001096280360 791978028 /nfs/dbraw/zinc/97/80/28/791978028.db2.gz CLAMYENVQMDTOT-GFCCVEGCSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@@H]3COC(=O)N3)CC2)cn1 ZINC001096280361 791978602 /nfs/dbraw/zinc/97/86/02/791978602.db2.gz CLAMYENVQMDTOT-LBPRGKRZSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3COC(=O)N3)CC2)nn1 ZINC001096280382 791977631 /nfs/dbraw/zinc/97/76/31/791977631.db2.gz DQVFMLJKAGMYFN-GFCCVEGCSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3COC(=O)N3)CC2)nn1 ZINC001096280383 791978273 /nfs/dbraw/zinc/97/82/73/791978273.db2.gz DQVFMLJKAGMYFN-LBPRGKRZSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001096280811 791977892 /nfs/dbraw/zinc/97/78/92/791977892.db2.gz LQZZOVJKIGJYPY-GFCCVEGCSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001096280812 791978570 /nfs/dbraw/zinc/97/85/70/791978570.db2.gz LQZZOVJKIGJYPY-LBPRGKRZSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001096281042 791978142 /nfs/dbraw/zinc/97/81/42/791978142.db2.gz RBHQZIFVVLKXFN-LLVKDONJSA-N 1 2 345.363 -1.305 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001096281043 791977493 /nfs/dbraw/zinc/97/74/93/791977493.db2.gz RBHQZIFVVLKXFN-NSHDSACASA-N 1 2 345.363 -1.305 20 30 EAEDLO CNC(=O)CC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096281784 791978740 /nfs/dbraw/zinc/97/87/40/791978740.db2.gz KAVLEVJPNRNSBC-UHFFFAOYSA-N 1 2 331.380 -1.277 20 30 EAEDLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096282292 791978093 /nfs/dbraw/zinc/97/80/93/791978093.db2.gz FIRIRRONWJOPKY-NSHDSACASA-N 1 2 346.395 -1.357 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)Cn3cncn3)CC2)cn1 ZINC001096282444 791978041 /nfs/dbraw/zinc/97/80/41/791978041.db2.gz MTIFGLNICHHARE-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096282478 791977344 /nfs/dbraw/zinc/97/73/44/791977344.db2.gz OOOVDOJCGZIBHU-NSHDSACASA-N 1 2 346.395 -1.357 20 30 EAEDLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096282546 791978490 /nfs/dbraw/zinc/97/84/90/791978490.db2.gz QUAOHUDBYFJPGI-NSHDSACASA-N 1 2 346.395 -1.357 20 30 EAEDLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096282663 791978388 /nfs/dbraw/zinc/97/83/88/791978388.db2.gz YCNWWUWUDXBQJY-NSHDSACASA-N 1 2 346.395 -1.357 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3cncn3)CC2)nn1 ZINC001096284454 791977905 /nfs/dbraw/zinc/97/79/05/791977905.db2.gz BALXIQNHGKICNV-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)Cn3cncn3)CC2)n1 ZINC001096284672 791977471 /nfs/dbraw/zinc/97/74/71/791977471.db2.gz KNPKFUNQRMYRRE-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)Cn3cncn3)CC2)n1 ZINC001096284816 791978903 /nfs/dbraw/zinc/97/89/03/791978903.db2.gz NTSQBZIOYXCZES-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)CCNC(N)=O)CC2)nn1 ZINC001096284834 791977849 /nfs/dbraw/zinc/97/78/49/791977849.db2.gz OTEFLIFLPWBDQX-UHFFFAOYSA-N 1 2 346.395 -1.355 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)CCNC(N)=O)CC2)n1 ZINC001096284898 791977811 /nfs/dbraw/zinc/97/78/11/791977811.db2.gz URDPGOYBEMHLHS-UHFFFAOYSA-N 1 2 346.395 -1.355 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)CCNC(N)=O)CC2)cn1 ZINC001096285088 791977864 /nfs/dbraw/zinc/97/78/64/791977864.db2.gz ZPDKQDSNSRLMNR-UHFFFAOYSA-N 1 2 346.395 -1.355 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)CCNC(N)=O)CC2)n1 ZINC001096285092 791977933 /nfs/dbraw/zinc/97/79/33/791977933.db2.gz ZXDXCOUALQVBFS-UHFFFAOYSA-N 1 2 346.395 -1.355 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@@H]3CCC(=O)N3)CC2)cn1 ZINC001096285225 791978184 /nfs/dbraw/zinc/97/81/84/791978184.db2.gz FLHVAPZNPJVFDW-ZDUSSCGKSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC001096285419 791977385 /nfs/dbraw/zinc/97/73/85/791977385.db2.gz LDACUZBZLRFCDU-LBPRGKRZSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC001096285435 791977645 /nfs/dbraw/zinc/97/76/45/791977645.db2.gz MCZUWVIQKBGERU-ZDUSSCGKSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC(=O)N3)CC2)nn1 ZINC001096285503 791978318 /nfs/dbraw/zinc/97/83/18/791978318.db2.gz RMLYEERMXJSSLR-ZDUSSCGKSA-N 1 2 343.391 -1.135 20 30 EAEDLO N#Cc1cccnc1N1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001096288365 791977566 /nfs/dbraw/zinc/97/75/66/791977566.db2.gz IEPIFOAPLJMGAY-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)Cn3ncnn3)CC2)cn1 ZINC001096288485 791978352 /nfs/dbraw/zinc/97/83/52/791978352.db2.gz LOEYYLHRQNHCSS-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3ncnn3)CC2)cn1 ZINC001096288710 791977922 /nfs/dbraw/zinc/97/79/22/791977922.db2.gz SKTOOFXYYCKHOQ-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3nccn3)CC2)nn1 ZINC001096290298 791980078 /nfs/dbraw/zinc/98/00/78/791980078.db2.gz BOTPYMBTZORUOT-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)Cn3ncnn3)CC2)n1 ZINC001096290515 791979780 /nfs/dbraw/zinc/97/97/80/791979780.db2.gz KHTURRUVGFEXMJ-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)Cn3nccn3)CC2)n1 ZINC001096290579 791980114 /nfs/dbraw/zinc/98/01/14/791980114.db2.gz NEKKGUIVLXODBN-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3ncnn3)CC2)nc1 ZINC001096290723 791980181 /nfs/dbraw/zinc/98/01/81/791980181.db2.gz QEQXOSFWSQBGFJ-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)Cn3nccn3)CC2)cn1 ZINC001096290726 791980292 /nfs/dbraw/zinc/98/02/92/791980292.db2.gz QIFLZDFNYXNNHK-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001096290753 791980262 /nfs/dbraw/zinc/98/02/62/791980262.db2.gz ROEXGBCQBBNAMD-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)Cn3ncnn3)CC2)n1 ZINC001096290883 791980754 /nfs/dbraw/zinc/98/07/54/791980754.db2.gz UNXMSTQJBOEKCS-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)Cn3nccn3)CC2)n1 ZINC001096290994 791979298 /nfs/dbraw/zinc/97/92/98/791979298.db2.gz YWCGZRAITJHDQU-UHFFFAOYSA-N 1 2 341.379 -1.122 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)Cn3ncnn3)CC2)nn1 ZINC001096290996 791979899 /nfs/dbraw/zinc/97/98/99/791979899.db2.gz ZERACUQVDZZZDG-UHFFFAOYSA-N 1 2 342.367 -1.727 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCNC3=O)CC2)nn1 ZINC001096293220 791980058 /nfs/dbraw/zinc/98/00/58/791980058.db2.gz AGZDQFJBZZYRDU-CYBMUJFWSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCNC3=O)CC2)nn1 ZINC001096293221 791980209 /nfs/dbraw/zinc/98/02/09/791980209.db2.gz AGZDQFJBZZYRDU-ZDUSSCGKSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@@H]3CCNC3=O)CC2)cn1 ZINC001096293265 791980708 /nfs/dbraw/zinc/98/07/08/791980708.db2.gz CVUDOSUZIVGDJL-CYBMUJFWSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@H]3CCNC3=O)CC2)cn1 ZINC001096293266 791980364 /nfs/dbraw/zinc/98/03/64/791980364.db2.gz CVUDOSUZIVGDJL-ZDUSSCGKSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC001096293652 791979810 /nfs/dbraw/zinc/97/98/10/791979810.db2.gz QBLVMNIAFRMHIP-GFCCVEGCSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@H]3CCNC3=O)CC2)n1 ZINC001096293653 791980628 /nfs/dbraw/zinc/98/06/28/791980628.db2.gz QBLVMNIAFRMHIP-LBPRGKRZSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC001096293795 791980011 /nfs/dbraw/zinc/98/00/11/791980011.db2.gz UFZPMSUOPRWCAT-CYBMUJFWSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@H]3CCNC3=O)CC2)n1 ZINC001096293799 791979959 /nfs/dbraw/zinc/97/99/59/791979959.db2.gz UFZPMSUOPRWCAT-ZDUSSCGKSA-N 1 2 343.391 -1.277 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001096299261 791980377 /nfs/dbraw/zinc/98/03/77/791980377.db2.gz ADLSXNQEXOKPID-GFCCVEGCSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001096299264 791979881 /nfs/dbraw/zinc/97/98/81/791979881.db2.gz ADLSXNQEXOKPID-LBPRGKRZSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001096299268 791980037 /nfs/dbraw/zinc/98/00/37/791980037.db2.gz AEIHALRDGXMBLJ-GFCCVEGCSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001096299269 791982426 /nfs/dbraw/zinc/98/24/26/791982426.db2.gz AEIHALRDGXMBLJ-LBPRGKRZSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001096299286 791982673 /nfs/dbraw/zinc/98/26/73/791982673.db2.gz BBCBWTVTIDWFJQ-CYBMUJFWSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001096299289 791982869 /nfs/dbraw/zinc/98/28/69/791982869.db2.gz BBCBWTVTIDWFJQ-ZDUSSCGKSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 ZINC001096299659 791982717 /nfs/dbraw/zinc/98/27/17/791982717.db2.gz IMLKQNRKBBHHSD-OLZOCXBDSA-N 1 2 343.391 -1.292 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CNC(=O)N3)CC2)cn1 ZINC001096299665 791981772 /nfs/dbraw/zinc/98/17/72/791981772.db2.gz ISFHOKIHNCSHCV-AWEZNQCLSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CNC(=O)N3)CC2)cn1 ZINC001096299666 791982499 /nfs/dbraw/zinc/98/24/99/791982499.db2.gz ISFHOKIHNCSHCV-CQSZACIVSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001096299697 791982184 /nfs/dbraw/zinc/98/21/84/791982184.db2.gz KUTXYAUCTGSCPI-NEPJUHHUSA-N 1 2 343.391 -1.292 20 30 EAEDLO N#Cc1cccnc1N1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001096299705 791981475 /nfs/dbraw/zinc/98/14/75/791981475.db2.gz LJRZLMDVFRYMFE-CYBMUJFWSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1cccnc1N1CC[NH+](CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001096299706 791981401 /nfs/dbraw/zinc/98/14/01/791981401.db2.gz LJRZLMDVFRYMFE-ZDUSSCGKSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cn1 ZINC001096299715 791981204 /nfs/dbraw/zinc/98/12/04/791981204.db2.gz LUGYUOLMDVZKKH-OLZOCXBDSA-N 1 2 343.391 -1.292 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CNC(=O)N3)CC2)nc1 ZINC001096300043 791980239 /nfs/dbraw/zinc/98/02/39/791980239.db2.gz OJEIBQNLLFKSIO-CYBMUJFWSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CNC(=O)N3)CC2)nc1 ZINC001096300044 791980443 /nfs/dbraw/zinc/98/04/43/791980443.db2.gz OJEIBQNLLFKSIO-ZDUSSCGKSA-N 1 2 343.391 -1.127 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001096300079 791980722 /nfs/dbraw/zinc/98/07/22/791980722.db2.gz PFZDXHKCADCCLT-LLVKDONJSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001096300082 791979820 /nfs/dbraw/zinc/97/98/20/791979820.db2.gz PFZDXHKCADCCLT-NSHDSACASA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001096300087 791980503 /nfs/dbraw/zinc/98/05/03/791980503.db2.gz PJEBTFGVLXOIEZ-OLZOCXBDSA-N 1 2 343.391 -1.292 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@H]3CNC(=O)N3)CC2)cn1 ZINC001096300089 791979670 /nfs/dbraw/zinc/97/96/70/791979670.db2.gz PKARTXPCXZFQPS-GFCCVEGCSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)[C@@H]3CNC(=O)N3)CC2)cn1 ZINC001096300091 791980163 /nfs/dbraw/zinc/98/01/63/791980163.db2.gz PKARTXPCXZFQPS-LBPRGKRZSA-N 1 2 344.379 -1.732 20 30 EAEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)C3(C(N)=O)CC3)CC2)n1 ZINC001096304232 791982327 /nfs/dbraw/zinc/98/23/27/791982327.db2.gz IDXYVYBLPPQWRK-UHFFFAOYSA-N 1 2 343.391 -1.148 20 30 EAEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)C3(C(N)=O)CC3)CC2)nn1 ZINC001096304397 791982487 /nfs/dbraw/zinc/98/24/87/791982487.db2.gz KUQRTYQPFYMAAL-UHFFFAOYSA-N 1 2 343.391 -1.148 20 30 EAEDLO N#Cc1cnc(N2CC[NH+](CCNC(=O)C3(C(N)=O)CC3)CC2)cn1 ZINC001096304419 791982006 /nfs/dbraw/zinc/98/20/06/791982006.db2.gz MPPWZISMKCACNC-UHFFFAOYSA-N 1 2 343.391 -1.148 20 30 EAEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)C3(C(N)=O)CC3)CC2)n1 ZINC001096304469 791982372 /nfs/dbraw/zinc/98/23/72/791982372.db2.gz OZRDQZFECVYYLD-UHFFFAOYSA-N 1 2 343.391 -1.148 20 30 EAEDLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096305517 791982735 /nfs/dbraw/zinc/98/27/35/791982735.db2.gz BUKDEPQMGPRZFP-UHFFFAOYSA-N 1 2 346.395 -1.485 20 30 EAEDLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096305532 791981880 /nfs/dbraw/zinc/98/18/80/791981880.db2.gz BXAJLANWEOXGPY-UHFFFAOYSA-N 1 2 346.395 -1.485 20 30 EAEDLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096305654 791981544 /nfs/dbraw/zinc/98/15/44/791981544.db2.gz GFNHLVANXRQZTE-UHFFFAOYSA-N 1 2 346.395 -1.485 20 30 EAEDLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096305870 791981943 /nfs/dbraw/zinc/98/19/43/791981943.db2.gz QSWAQXFLZRGQJR-UHFFFAOYSA-N 1 2 346.395 -1.485 20 30 EAEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573045 792012297 /nfs/dbraw/zinc/01/22/97/792012297.db2.gz HSXXLVQUBBNDAE-WYUUTHIRSA-N 1 2 327.406 -1.193 20 30 EAEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573045 792012288 /nfs/dbraw/zinc/01/22/88/792012288.db2.gz HSXXLVQUBBNDAE-WYUUTHIRSA-N 1 2 327.406 -1.193 20 30 EAEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573180 792011129 /nfs/dbraw/zinc/01/11/29/792011129.db2.gz MFKYKMOHKBVNGK-NDBYEHHHSA-N 1 2 339.417 -1.356 20 30 EAEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573180 792011119 /nfs/dbraw/zinc/01/11/19/792011119.db2.gz MFKYKMOHKBVNGK-NDBYEHHHSA-N 1 2 339.417 -1.356 20 30 EAEDLO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001098528477 785098080 /nfs/dbraw/zinc/09/80/80/785098080.db2.gz GZZBDNPPPIKRQP-UHFFFAOYSA-N 1 2 348.407 -1.618 20 30 EAEDLO C#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001098528477 785098070 /nfs/dbraw/zinc/09/80/70/785098070.db2.gz GZZBDNPPPIKRQP-UHFFFAOYSA-N 1 2 348.407 -1.618 20 30 EAEDLO N#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001098529215 785101140 /nfs/dbraw/zinc/10/11/40/785101140.db2.gz YIIQEIFATVMEHR-UHFFFAOYSA-N 1 2 349.395 -1.728 20 30 EAEDLO N#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001098529215 785101131 /nfs/dbraw/zinc/10/11/31/785101131.db2.gz YIIQEIFATVMEHR-UHFFFAOYSA-N 1 2 349.395 -1.728 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC)C2)nn1 ZINC001098586352 785241316 /nfs/dbraw/zinc/24/13/16/785241316.db2.gz DMZWFNPKCYBDBJ-GXTWGEPZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)COC)C2)nn1 ZINC001098586353 785241373 /nfs/dbraw/zinc/24/13/73/785241373.db2.gz DMZWFNPKCYBDBJ-JSGCOSHPSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)COC)C2)nn1 ZINC001098586354 785242055 /nfs/dbraw/zinc/24/20/55/785242055.db2.gz DMZWFNPKCYBDBJ-OCCSQVGLSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC)C2)nn1 ZINC001098586355 785241777 /nfs/dbraw/zinc/24/17/77/785241777.db2.gz DMZWFNPKCYBDBJ-TZMCWYRMSA-N 1 2 348.407 -1.075 20 30 EAEDLO COCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098586925 785243281 /nfs/dbraw/zinc/24/32/81/785243281.db2.gz QCLPKAVUHIJZAA-GFCCVEGCSA-N 1 2 335.368 -1.573 20 30 EAEDLO COCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098586927 785243106 /nfs/dbraw/zinc/24/31/06/785243106.db2.gz QCLPKAVUHIJZAA-LBPRGKRZSA-N 1 2 335.368 -1.573 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC)C2)nn1 ZINC001098587241 785243080 /nfs/dbraw/zinc/24/30/80/785243080.db2.gz XYIWHUXTTVTBDB-CYBMUJFWSA-N 1 2 334.380 -1.463 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)COC)C2)nn1 ZINC001098587242 785242924 /nfs/dbraw/zinc/24/29/24/785242924.db2.gz XYIWHUXTTVTBDB-ZDUSSCGKSA-N 1 2 334.380 -1.463 20 30 EAEDLO COCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098598371 785254418 /nfs/dbraw/zinc/25/44/18/785254418.db2.gz DVVVEAVLXJNFTG-CYBMUJFWSA-N 1 2 349.395 -1.183 20 30 EAEDLO COCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098598374 785253813 /nfs/dbraw/zinc/25/38/13/785253813.db2.gz DVVVEAVLXJNFTG-ZDUSSCGKSA-N 1 2 349.395 -1.183 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOC)C2)nn1 ZINC001098598978 792040761 /nfs/dbraw/zinc/04/07/61/792040761.db2.gz PPHBDBIHQZWUSN-AWEZNQCLSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCOC)C2)nn1 ZINC001098598979 792042043 /nfs/dbraw/zinc/04/20/43/792042043.db2.gz PPHBDBIHQZWUSN-CQSZACIVSA-N 1 2 348.407 -1.073 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 ZINC001098600618 792041557 /nfs/dbraw/zinc/04/15/57/792041557.db2.gz DJEBCGGNAIJAGD-HNNXBMFYSA-N 1 2 348.407 -1.073 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 ZINC001098600619 792042140 /nfs/dbraw/zinc/04/21/40/792042140.db2.gz DJEBCGGNAIJAGD-OAHLLOKOSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC)C2)nn1 ZINC001098604264 792041219 /nfs/dbraw/zinc/04/12/19/792041219.db2.gz KVDIJSAKLVYANW-AWEZNQCLSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC)C2)nn1 ZINC001098604265 792041147 /nfs/dbraw/zinc/04/11/47/792041147.db2.gz KVDIJSAKLVYANW-CQSZACIVSA-N 1 2 348.407 -1.073 20 30 EAEDLO CCOCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098607736 792044828 /nfs/dbraw/zinc/04/48/28/792044828.db2.gz DHTRGNKFMCTUIB-CYBMUJFWSA-N 1 2 349.395 -1.183 20 30 EAEDLO CCOCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098607737 792043125 /nfs/dbraw/zinc/04/31/25/792043125.db2.gz DHTRGNKFMCTUIB-ZDUSSCGKSA-N 1 2 349.395 -1.183 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608254 785285600 /nfs/dbraw/zinc/28/56/00/785285600.db2.gz QYOHRRRSVZESTF-CYBMUJFWSA-N 1 2 329.368 -1.149 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001098608255 785286678 /nfs/dbraw/zinc/28/66/78/785286678.db2.gz QYOHRRRSVZESTF-ZDUSSCGKSA-N 1 2 329.368 -1.149 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098615478 785293786 /nfs/dbraw/zinc/29/37/86/785293786.db2.gz TXPDZUAKZMIMKL-CYBMUJFWSA-N 1 2 349.395 -1.541 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 ZINC001098615479 785293555 /nfs/dbraw/zinc/29/35/55/785293555.db2.gz TXPDZUAKZMIMKL-ZDUSSCGKSA-N 1 2 349.395 -1.541 20 30 EAEDLO N#CCSCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098622494 785344824 /nfs/dbraw/zinc/34/48/24/785344824.db2.gz KEKZANJFGJWEIQ-LLVKDONJSA-N 1 2 337.409 -1.117 20 30 EAEDLO N#CCSCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098622495 785344636 /nfs/dbraw/zinc/34/46/36/785344636.db2.gz KEKZANJFGJWEIQ-NSHDSACASA-N 1 2 337.409 -1.117 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OC)C2)nn1 ZINC001098625812 785362579 /nfs/dbraw/zinc/36/25/79/785362579.db2.gz IVKJFAJVEYVQDG-GXTWGEPZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OC)C2)nn1 ZINC001098625813 785362029 /nfs/dbraw/zinc/36/20/29/785362029.db2.gz IVKJFAJVEYVQDG-JSGCOSHPSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OC)C2)nn1 ZINC001098625814 785362423 /nfs/dbraw/zinc/36/24/23/785362423.db2.gz IVKJFAJVEYVQDG-OCCSQVGLSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)OC)C2)nn1 ZINC001098625815 785361539 /nfs/dbraw/zinc/36/15/39/785361539.db2.gz IVKJFAJVEYVQDG-TZMCWYRMSA-N 1 2 348.407 -1.075 20 30 EAEDLO CO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098626436 785365123 /nfs/dbraw/zinc/36/51/23/785365123.db2.gz RBJLZYKAPGFYFQ-AAEUAGOBSA-N 1 2 349.395 -1.184 20 30 EAEDLO CO[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098626437 785365160 /nfs/dbraw/zinc/36/51/60/785365160.db2.gz RBJLZYKAPGFYFQ-DGCLKSJQSA-N 1 2 349.395 -1.184 20 30 EAEDLO CO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098626438 785365097 /nfs/dbraw/zinc/36/50/97/785365097.db2.gz RBJLZYKAPGFYFQ-WCQYABFASA-N 1 2 349.395 -1.184 20 30 EAEDLO CO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098626439 785365176 /nfs/dbraw/zinc/36/51/76/785365176.db2.gz RBJLZYKAPGFYFQ-YPMHNXCESA-N 1 2 349.395 -1.184 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001098628298 792043271 /nfs/dbraw/zinc/04/32/71/792043271.db2.gz AKYIBEJPOKZUTQ-GFCCVEGCSA-N 1 2 325.394 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001098628299 792044585 /nfs/dbraw/zinc/04/45/85/792044585.db2.gz AKYIBEJPOKZUTQ-LBPRGKRZSA-N 1 2 325.394 -1.181 20 30 EAEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001098632692 785378912 /nfs/dbraw/zinc/37/89/12/785378912.db2.gz DWINKMLPUZTORS-GXSJLCMTSA-N 1 2 348.367 -1.504 20 30 EAEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001098632695 785378518 /nfs/dbraw/zinc/37/85/18/785378518.db2.gz DWINKMLPUZTORS-KOLCDFICSA-N 1 2 348.367 -1.504 20 30 EAEDLO C[C@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001098632697 785378501 /nfs/dbraw/zinc/37/85/01/785378501.db2.gz DWINKMLPUZTORS-MWLCHTKSSA-N 1 2 348.367 -1.504 20 30 EAEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001098632698 785378678 /nfs/dbraw/zinc/37/86/78/785378678.db2.gz DWINKMLPUZTORS-ONGXEEELSA-N 1 2 348.367 -1.504 20 30 EAEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098634658 785386277 /nfs/dbraw/zinc/38/62/77/785386277.db2.gz VHLSRENWZFKZHW-AAEUAGOBSA-N 1 2 344.379 -1.059 20 30 EAEDLO C[C@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098634659 785386561 /nfs/dbraw/zinc/38/65/61/785386561.db2.gz VHLSRENWZFKZHW-DGCLKSJQSA-N 1 2 344.379 -1.059 20 30 EAEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098634671 785386376 /nfs/dbraw/zinc/38/63/76/785386376.db2.gz VHLSRENWZFKZHW-WCQYABFASA-N 1 2 344.379 -1.059 20 30 EAEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098634673 785386430 /nfs/dbraw/zinc/38/64/30/785386430.db2.gz VHLSRENWZFKZHW-YPMHNXCESA-N 1 2 344.379 -1.059 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098640330 792044785 /nfs/dbraw/zinc/04/47/85/792044785.db2.gz GXSWWOOMEDICMM-CYBMUJFWSA-N 1 2 334.380 -1.334 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098640331 792044189 /nfs/dbraw/zinc/04/41/89/792044189.db2.gz GXSWWOOMEDICMM-ZDUSSCGKSA-N 1 2 334.380 -1.334 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098641112 785770081 /nfs/dbraw/zinc/77/00/81/785770081.db2.gz QEOVAVDIYINICA-GFCCVEGCSA-N 1 2 347.379 -2.234 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098641113 785770642 /nfs/dbraw/zinc/77/06/42/785770642.db2.gz QEOVAVDIYINICA-LBPRGKRZSA-N 1 2 347.379 -2.234 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098644948 785795175 /nfs/dbraw/zinc/79/51/75/785795175.db2.gz FYSRYBMWJMNDKQ-GFCCVEGCSA-N 1 2 349.395 -1.681 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098644949 785795863 /nfs/dbraw/zinc/79/58/63/785795863.db2.gz FYSRYBMWJMNDKQ-LBPRGKRZSA-N 1 2 349.395 -1.681 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098644960 785794940 /nfs/dbraw/zinc/79/49/40/785794940.db2.gz GQJRXAGAIZQTKG-LLVKDONJSA-N 1 2 348.367 -2.344 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098644961 785795247 /nfs/dbraw/zinc/79/52/47/785795247.db2.gz GQJRXAGAIZQTKG-NSHDSACASA-N 1 2 348.367 -2.344 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098661693 785831419 /nfs/dbraw/zinc/83/14/19/785831419.db2.gz QRONCCLWJOXNDM-GFCCVEGCSA-N 1 2 347.379 -2.234 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098661694 785831300 /nfs/dbraw/zinc/83/13/00/785831300.db2.gz QRONCCLWJOXNDM-LBPRGKRZSA-N 1 2 347.379 -2.234 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001098661969 785832410 /nfs/dbraw/zinc/83/24/10/785832410.db2.gz WEMPELAICFZHCX-GFCCVEGCSA-N 1 2 330.352 -1.228 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001098661970 785831805 /nfs/dbraw/zinc/83/18/05/785831805.db2.gz WEMPELAICFZHCX-LBPRGKRZSA-N 1 2 330.352 -1.228 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC#C)nn2)C1 ZINC001098662263 785832736 /nfs/dbraw/zinc/83/27/36/785832736.db2.gz ZUZBBDPMHZYVQD-AWEZNQCLSA-N 1 2 328.376 -1.086 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#C)nn2)C1 ZINC001098662265 785832274 /nfs/dbraw/zinc/83/22/74/785832274.db2.gz ZUZBBDPMHZYVQD-CQSZACIVSA-N 1 2 328.376 -1.086 20 30 EAEDLO CNC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098663842 785833256 /nfs/dbraw/zinc/83/32/56/785833256.db2.gz JYCSIKLWCKRLSI-AWEZNQCLSA-N 1 2 348.407 -1.073 20 30 EAEDLO CNC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098663843 785833060 /nfs/dbraw/zinc/83/30/60/785833060.db2.gz JYCSIKLWCKRLSI-CQSZACIVSA-N 1 2 348.407 -1.073 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098669430 785837711 /nfs/dbraw/zinc/83/77/11/785837711.db2.gz QLCRSTFRJFUWAQ-DOMZBBRYSA-N 1 2 336.396 -1.047 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098669431 785836581 /nfs/dbraw/zinc/83/65/81/785836581.db2.gz QLCRSTFRJFUWAQ-IUODEOHRSA-N 1 2 336.396 -1.047 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098669432 785837628 /nfs/dbraw/zinc/83/76/28/785837628.db2.gz QLCRSTFRJFUWAQ-SWLSCSKDSA-N 1 2 336.396 -1.047 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098669433 785837022 /nfs/dbraw/zinc/83/70/22/785837022.db2.gz QLCRSTFRJFUWAQ-WFASDCNBSA-N 1 2 336.396 -1.047 20 30 EAEDLO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098672599 785840396 /nfs/dbraw/zinc/84/03/96/785840396.db2.gz GJVPRYFUMFEWMP-CYBMUJFWSA-N 1 2 334.380 -1.334 20 30 EAEDLO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098672600 785840720 /nfs/dbraw/zinc/84/07/20/785840720.db2.gz GJVPRYFUMFEWMP-ZDUSSCGKSA-N 1 2 334.380 -1.334 20 30 EAEDLO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098672888 792045905 /nfs/dbraw/zinc/04/59/05/792045905.db2.gz JZKDDUDWDCQMLO-AWEZNQCLSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098672889 785842080 /nfs/dbraw/zinc/84/20/80/785842080.db2.gz JZKDDUDWDCQMLO-CQSZACIVSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098673023 785841888 /nfs/dbraw/zinc/84/18/88/785841888.db2.gz LTGLMJHMFPPNCN-AAEUAGOBSA-N 1 2 334.380 -1.335 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098673026 785840841 /nfs/dbraw/zinc/84/08/41/785840841.db2.gz LTGLMJHMFPPNCN-DGCLKSJQSA-N 1 2 334.380 -1.335 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098673028 785842120 /nfs/dbraw/zinc/84/21/20/785842120.db2.gz LTGLMJHMFPPNCN-WCQYABFASA-N 1 2 334.380 -1.335 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098673031 785840927 /nfs/dbraw/zinc/84/09/27/785840927.db2.gz LTGLMJHMFPPNCN-YPMHNXCESA-N 1 2 334.380 -1.335 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098673625 785842272 /nfs/dbraw/zinc/84/22/72/785842272.db2.gz SODKLVMXMXGQDI-GXTWGEPZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098673626 785842772 /nfs/dbraw/zinc/84/27/72/785842772.db2.gz SODKLVMXMXGQDI-JSGCOSHPSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098673627 785842846 /nfs/dbraw/zinc/84/28/46/785842846.db2.gz SODKLVMXMXGQDI-OCCSQVGLSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098673628 785842756 /nfs/dbraw/zinc/84/27/56/785842756.db2.gz SODKLVMXMXGQDI-TZMCWYRMSA-N 1 2 348.407 -1.075 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098675497 792049982 /nfs/dbraw/zinc/04/99/82/792049982.db2.gz CCLCWGHRKARAPY-CYBMUJFWSA-N 1 2 329.368 -1.149 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001098675498 792050357 /nfs/dbraw/zinc/05/03/57/792050357.db2.gz CCLCWGHRKARAPY-ZDUSSCGKSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)C2)nn1 ZINC001098678571 785437766 /nfs/dbraw/zinc/43/77/66/785437766.db2.gz JJEMEZZHULEQAW-GXTWGEPZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)NC(=O)COC)C2)nn1 ZINC001098678573 785436619 /nfs/dbraw/zinc/43/66/19/785436619.db2.gz JJEMEZZHULEQAW-JSGCOSHPSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)C2)nn1 ZINC001098678575 785436477 /nfs/dbraw/zinc/43/64/77/785436477.db2.gz JJEMEZZHULEQAW-OCCSQVGLSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)C2)nn1 ZINC001098678577 785437423 /nfs/dbraw/zinc/43/74/23/785437423.db2.gz JJEMEZZHULEQAW-TZMCWYRMSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001098679216 785443048 /nfs/dbraw/zinc/44/30/48/785443048.db2.gz VONHDXYNNQRZPD-CYBMUJFWSA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001098679217 785442756 /nfs/dbraw/zinc/44/27/56/785442756.db2.gz VONHDXYNNQRZPD-ZDUSSCGKSA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCNC(=O)COC)C2)nn1 ZINC001098680217 792050449 /nfs/dbraw/zinc/05/04/49/792050449.db2.gz CRRSQPIPVNPDKY-AWEZNQCLSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCNC(=O)COC)C2)nn1 ZINC001098680219 792050024 /nfs/dbraw/zinc/05/00/24/792050024.db2.gz CRRSQPIPVNPDKY-CQSZACIVSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN(C)C(=O)COC)C2)nn1 ZINC001098680340 792050145 /nfs/dbraw/zinc/05/01/45/792050145.db2.gz FBUIIQSCCVZCRP-AWEZNQCLSA-N 1 2 348.407 -1.121 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN(C)C(=O)COC)C2)nn1 ZINC001098680341 792049064 /nfs/dbraw/zinc/04/90/64/792049064.db2.gz FBUIIQSCCVZCRP-CQSZACIVSA-N 1 2 348.407 -1.121 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001098683091 792049609 /nfs/dbraw/zinc/04/96/09/792049609.db2.gz PSPVGGKLTAOKCG-NEPJUHHUSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001098683092 792050309 /nfs/dbraw/zinc/05/03/09/792050309.db2.gz PSPVGGKLTAOKCG-RYUDHWBXSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CCOCC3=O)C2)nn1 ZINC001098683117 785457212 /nfs/dbraw/zinc/45/72/12/785457212.db2.gz QDTJMIHBMGLQJL-AWEZNQCLSA-N 1 2 346.391 -1.367 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)nn1 ZINC001098683118 785457560 /nfs/dbraw/zinc/45/75/60/785457560.db2.gz QDTJMIHBMGLQJL-CQSZACIVSA-N 1 2 346.391 -1.367 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001098688187 792051520 /nfs/dbraw/zinc/05/15/20/792051520.db2.gz JEGBKTCYXLOQBU-CYBMUJFWSA-N 1 2 344.379 -1.630 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001098688188 792052330 /nfs/dbraw/zinc/05/23/30/792052330.db2.gz JEGBKTCYXLOQBU-ZDUSSCGKSA-N 1 2 344.379 -1.630 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001098694531 785601629 /nfs/dbraw/zinc/60/16/29/785601629.db2.gz CWJWJEMZDDRVCA-CHWSQXEVSA-N 1 2 331.380 -1.202 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001098694532 785601977 /nfs/dbraw/zinc/60/19/77/785601977.db2.gz CWJWJEMZDDRVCA-OLZOCXBDSA-N 1 2 331.380 -1.202 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001098694533 785602214 /nfs/dbraw/zinc/60/22/14/785602214.db2.gz CWJWJEMZDDRVCA-QWHCGFSZSA-N 1 2 331.380 -1.202 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001098694534 785601865 /nfs/dbraw/zinc/60/18/65/785601865.db2.gz CWJWJEMZDDRVCA-STQMWFEESA-N 1 2 331.380 -1.202 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001098697568 785624971 /nfs/dbraw/zinc/62/49/71/785624971.db2.gz IUJGJZYFEJRKJX-AWEZNQCLSA-N 1 2 345.407 -1.794 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001098697569 785625570 /nfs/dbraw/zinc/62/55/70/785625570.db2.gz IUJGJZYFEJRKJX-CQSZACIVSA-N 1 2 345.407 -1.794 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705410 785659935 /nfs/dbraw/zinc/65/99/35/785659935.db2.gz DIEODLZXDFQRSW-LLVKDONJSA-N 1 2 335.368 -2.071 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705411 785660092 /nfs/dbraw/zinc/66/00/92/785660092.db2.gz DIEODLZXDFQRSW-NSHDSACASA-N 1 2 335.368 -2.071 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705830 785661225 /nfs/dbraw/zinc/66/12/25/785661225.db2.gz LEDIFXVLLFSVDE-JTQLQIEISA-N 1 2 334.340 -2.734 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705831 785661695 /nfs/dbraw/zinc/66/16/95/785661695.db2.gz LEDIFXVLLFSVDE-SNVBAGLBSA-N 1 2 334.340 -2.734 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001098705874 785662443 /nfs/dbraw/zinc/66/24/43/785662443.db2.gz LXZGPNPEASKWBT-CHWSQXEVSA-N 1 2 331.380 -1.154 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001098705875 785662508 /nfs/dbraw/zinc/66/25/08/785662508.db2.gz LXZGPNPEASKWBT-OLZOCXBDSA-N 1 2 331.380 -1.154 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001098705876 785662826 /nfs/dbraw/zinc/66/28/26/785662826.db2.gz LXZGPNPEASKWBT-QWHCGFSZSA-N 1 2 331.380 -1.154 20 30 EAEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001098705877 785662299 /nfs/dbraw/zinc/66/22/99/785662299.db2.gz LXZGPNPEASKWBT-STQMWFEESA-N 1 2 331.380 -1.154 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705878 785662842 /nfs/dbraw/zinc/66/28/42/785662842.db2.gz LYXGTKDFJARNRK-LLVKDONJSA-N 1 2 333.352 -2.624 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098705879 785662107 /nfs/dbraw/zinc/66/21/07/785662107.db2.gz LYXGTKDFJARNRK-NSHDSACASA-N 1 2 333.352 -2.624 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710713 785668248 /nfs/dbraw/zinc/66/82/48/785668248.db2.gz KBZVGGSZYIZGRR-CMPLNLGQSA-N 1 2 347.379 -2.236 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710714 785667892 /nfs/dbraw/zinc/66/78/92/785667892.db2.gz KBZVGGSZYIZGRR-JQWIXIFHSA-N 1 2 347.379 -2.236 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710715 785668035 /nfs/dbraw/zinc/66/80/35/785668035.db2.gz KBZVGGSZYIZGRR-PWSUYJOCSA-N 1 2 347.379 -2.236 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710716 785667428 /nfs/dbraw/zinc/66/74/28/785667428.db2.gz KBZVGGSZYIZGRR-ZYHUDNBSSA-N 1 2 347.379 -2.236 20 30 EAEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711067 792054884 /nfs/dbraw/zinc/05/48/84/792054884.db2.gz QHDWIYHXXBTRSG-CMPLNLGQSA-N 1 2 349.395 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711069 792053393 /nfs/dbraw/zinc/05/33/93/792053393.db2.gz QHDWIYHXXBTRSG-JQWIXIFHSA-N 1 2 349.395 -1.683 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711071 792054605 /nfs/dbraw/zinc/05/46/05/792054605.db2.gz QHDWIYHXXBTRSG-PWSUYJOCSA-N 1 2 349.395 -1.683 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711073 792053867 /nfs/dbraw/zinc/05/38/67/792053867.db2.gz QHDWIYHXXBTRSG-ZYHUDNBSSA-N 1 2 349.395 -1.683 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001098728807 792056854 /nfs/dbraw/zinc/05/68/54/792056854.db2.gz VEGZCZCVKKEIBN-HZSPNIEDSA-N 1 2 346.391 -1.193 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001098728809 792056815 /nfs/dbraw/zinc/05/68/15/792056815.db2.gz VEGZCZCVKKEIBN-MELADBBJSA-N 1 2 346.391 -1.193 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001098740511 792057076 /nfs/dbraw/zinc/05/70/76/792057076.db2.gz RDPLKKCELUQZJX-NEPJUHHUSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001098740512 792055945 /nfs/dbraw/zinc/05/59/45/792055945.db2.gz RDPLKKCELUQZJX-RYUDHWBXSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001098744916 786425772 /nfs/dbraw/zinc/42/57/72/786425772.db2.gz DTGRCYMXPHXEGP-CYBMUJFWSA-N 1 2 344.375 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001098744919 786425281 /nfs/dbraw/zinc/42/52/81/786425281.db2.gz DTGRCYMXPHXEGP-ZDUSSCGKSA-N 1 2 344.375 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001098752005 792060389 /nfs/dbraw/zinc/06/03/89/792060389.db2.gz SRABPUYXURDVLK-GFCCVEGCSA-N 1 2 345.363 -1.674 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001098752006 792058504 /nfs/dbraw/zinc/05/85/04/792058504.db2.gz SRABPUYXURDVLK-LBPRGKRZSA-N 1 2 345.363 -1.674 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001098758361 792058368 /nfs/dbraw/zinc/05/83/68/792058368.db2.gz ZJAADIWDTGUWAC-CYBMUJFWSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001098758362 792059792 /nfs/dbraw/zinc/05/97/92/792059792.db2.gz ZJAADIWDTGUWAC-ZDUSSCGKSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001098778937 792058459 /nfs/dbraw/zinc/05/84/59/792058459.db2.gz DDCCLSPSYYJBNX-CYBMUJFWSA-N 1 2 344.375 -1.077 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001098778939 792058880 /nfs/dbraw/zinc/05/88/80/792058880.db2.gz DDCCLSPSYYJBNX-ZDUSSCGKSA-N 1 2 344.375 -1.077 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001098780450 792060021 /nfs/dbraw/zinc/06/00/21/792060021.db2.gz WEXDXOXGQCNLQW-GFCCVEGCSA-N 1 2 345.363 -1.674 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001098780451 792060278 /nfs/dbraw/zinc/06/02/78/792060278.db2.gz WEXDXOXGQCNLQW-LBPRGKRZSA-N 1 2 345.363 -1.674 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001098784161 786014515 /nfs/dbraw/zinc/01/45/15/786014515.db2.gz ANZGMXQXYNDCGL-GFCCVEGCSA-N 1 2 340.409 -1.677 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001098784162 786015283 /nfs/dbraw/zinc/01/52/83/786015283.db2.gz ANZGMXQXYNDCGL-LBPRGKRZSA-N 1 2 340.409 -1.677 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001098798788 786027255 /nfs/dbraw/zinc/02/72/55/786027255.db2.gz XRBZZRIINGBJFH-AAEUAGOBSA-N 1 2 344.375 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001098798792 786027161 /nfs/dbraw/zinc/02/71/61/786027161.db2.gz XRBZZRIINGBJFH-DGCLKSJQSA-N 1 2 344.375 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001098798794 786027372 /nfs/dbraw/zinc/02/73/72/786027372.db2.gz XRBZZRIINGBJFH-WCQYABFASA-N 1 2 344.375 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001098798799 786027330 /nfs/dbraw/zinc/02/73/30/786027330.db2.gz XRBZZRIINGBJFH-YPMHNXCESA-N 1 2 344.375 -1.173 20 30 EAEDLO CC1(C)CC[C@H](CNC(=O)CNC(N)=O)[N@@H+](CC(=O)NCC#N)C1 ZINC001098895055 786329266 /nfs/dbraw/zinc/32/92/66/786329266.db2.gz QDBZTDXPHWFDDD-LLVKDONJSA-N 1 2 338.412 -1.099 20 30 EAEDLO CC1(C)CC[C@H](CNC(=O)CNC(N)=O)[N@H+](CC(=O)NCC#N)C1 ZINC001098895055 786329259 /nfs/dbraw/zinc/32/92/59/786329259.db2.gz QDBZTDXPHWFDDD-LLVKDONJSA-N 1 2 338.412 -1.099 20 30 EAEDLO CC1(C)CC[C@@H](CNC(=O)CNC(N)=O)[N@@H+](CC(=O)NCC#N)C1 ZINC001098895056 786329989 /nfs/dbraw/zinc/32/99/89/786329989.db2.gz QDBZTDXPHWFDDD-NSHDSACASA-N 1 2 338.412 -1.099 20 30 EAEDLO CC1(C)CC[C@@H](CNC(=O)CNC(N)=O)[N@H+](CC(=O)NCC#N)C1 ZINC001098895056 786329983 /nfs/dbraw/zinc/32/99/83/786329983.db2.gz QDBZTDXPHWFDDD-NSHDSACASA-N 1 2 338.412 -1.099 20 30 EAEDLO CC1(C)CC[C@H](CNC(=O)Cn2cnnn2)[N@@H+](CC(=O)NCC#N)C1 ZINC001098900279 786332154 /nfs/dbraw/zinc/33/21/54/786332154.db2.gz ORCDYDYSOSPHDP-GFCCVEGCSA-N 1 2 348.411 -1.080 20 30 EAEDLO CC1(C)CC[C@H](CNC(=O)Cn2cnnn2)[N@H+](CC(=O)NCC#N)C1 ZINC001098900279 786332146 /nfs/dbraw/zinc/33/21/46/786332146.db2.gz ORCDYDYSOSPHDP-GFCCVEGCSA-N 1 2 348.411 -1.080 20 30 EAEDLO CC1(C)CC[C@@H](CNC(=O)Cn2cnnn2)[N@@H+](CC(=O)NCC#N)C1 ZINC001098900280 786331418 /nfs/dbraw/zinc/33/14/18/786331418.db2.gz ORCDYDYSOSPHDP-LBPRGKRZSA-N 1 2 348.411 -1.080 20 30 EAEDLO CC1(C)CC[C@@H](CNC(=O)Cn2cnnn2)[N@H+](CC(=O)NCC#N)C1 ZINC001098900280 786331415 /nfs/dbraw/zinc/33/14/15/786331415.db2.gz ORCDYDYSOSPHDP-LBPRGKRZSA-N 1 2 348.411 -1.080 20 30 EAEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001098956805 792063968 /nfs/dbraw/zinc/06/39/68/792063968.db2.gz QVZFOUCDWFBDQJ-HUBLWGQQSA-N 1 2 339.417 -1.497 20 30 EAEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001098956805 792063956 /nfs/dbraw/zinc/06/39/56/792063956.db2.gz QVZFOUCDWFBDQJ-HUBLWGQQSA-N 1 2 339.417 -1.497 20 30 EAEDLO CC1(C)CC[C@H](CNC(=O)Cn2ncnn2)[N@@H+](CC(=O)NCC#N)C1 ZINC001099079647 792066744 /nfs/dbraw/zinc/06/67/44/792066744.db2.gz GYDAYBAOBNQAIB-GFCCVEGCSA-N 1 2 348.411 -1.080 20 30 EAEDLO CC1(C)CC[C@H](CNC(=O)Cn2ncnn2)[N@H+](CC(=O)NCC#N)C1 ZINC001099079647 792066740 /nfs/dbraw/zinc/06/67/40/792066740.db2.gz GYDAYBAOBNQAIB-GFCCVEGCSA-N 1 2 348.411 -1.080 20 30 EAEDLO CC1(C)CC[C@@H](CNC(=O)Cn2ncnn2)[N@@H+](CC(=O)NCC#N)C1 ZINC001099079648 792067382 /nfs/dbraw/zinc/06/73/82/792067382.db2.gz GYDAYBAOBNQAIB-LBPRGKRZSA-N 1 2 348.411 -1.080 20 30 EAEDLO CC1(C)CC[C@@H](CNC(=O)Cn2ncnn2)[N@H+](CC(=O)NCC#N)C1 ZINC001099079648 792067370 /nfs/dbraw/zinc/06/73/70/792067370.db2.gz GYDAYBAOBNQAIB-LBPRGKRZSA-N 1 2 348.411 -1.080 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099588965 792078721 /nfs/dbraw/zinc/07/87/21/792078721.db2.gz MRKVWMVATKGHAS-LLVKDONJSA-N 1 2 337.380 -1.901 20 30 EAEDLO N#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099588965 792078717 /nfs/dbraw/zinc/07/87/17/792078717.db2.gz MRKVWMVATKGHAS-LLVKDONJSA-N 1 2 337.380 -1.901 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099588966 792076982 /nfs/dbraw/zinc/07/69/82/792076982.db2.gz MRKVWMVATKGHAS-NSHDSACASA-N 1 2 337.380 -1.901 20 30 EAEDLO N#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099588966 792076973 /nfs/dbraw/zinc/07/69/73/792076973.db2.gz MRKVWMVATKGHAS-NSHDSACASA-N 1 2 337.380 -1.901 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589061 786105794 /nfs/dbraw/zinc/10/57/94/786105794.db2.gz ONTXIQDJUCWZIB-GFCCVEGCSA-N 1 2 338.408 -1.239 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589061 786105792 /nfs/dbraw/zinc/10/57/92/786105792.db2.gz ONTXIQDJUCWZIB-GFCCVEGCSA-N 1 2 338.408 -1.239 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589062 792076517 /nfs/dbraw/zinc/07/65/17/792076517.db2.gz ONTXIQDJUCWZIB-LBPRGKRZSA-N 1 2 338.408 -1.239 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589062 792076504 /nfs/dbraw/zinc/07/65/04/792076504.db2.gz ONTXIQDJUCWZIB-LBPRGKRZSA-N 1 2 338.408 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589257 792077047 /nfs/dbraw/zinc/07/70/47/792077047.db2.gz UMBMZFSXQWNYNF-GFCCVEGCSA-N 1 2 336.392 -1.792 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589257 792077037 /nfs/dbraw/zinc/07/70/37/792077037.db2.gz UMBMZFSXQWNYNF-GFCCVEGCSA-N 1 2 336.392 -1.792 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589258 792077742 /nfs/dbraw/zinc/07/77/42/792077742.db2.gz UMBMZFSXQWNYNF-LBPRGKRZSA-N 1 2 336.392 -1.792 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001099589258 792077738 /nfs/dbraw/zinc/07/77/38/792077738.db2.gz UMBMZFSXQWNYNF-LBPRGKRZSA-N 1 2 336.392 -1.792 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607740 792080454 /nfs/dbraw/zinc/08/04/54/792080454.db2.gz QFWYRQAWELCNGY-BDAKNGLRSA-N 1 2 334.323 -1.185 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607740 792080446 /nfs/dbraw/zinc/08/04/46/792080446.db2.gz QFWYRQAWELCNGY-BDAKNGLRSA-N 1 2 334.323 -1.185 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607741 792079600 /nfs/dbraw/zinc/07/96/00/792079600.db2.gz QFWYRQAWELCNGY-DTWKUNHWSA-N 1 2 334.323 -1.185 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607741 792079588 /nfs/dbraw/zinc/07/95/88/792079588.db2.gz QFWYRQAWELCNGY-DTWKUNHWSA-N 1 2 334.323 -1.185 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607742 792080969 /nfs/dbraw/zinc/08/09/69/792080969.db2.gz QFWYRQAWELCNGY-IUCAKERBSA-N 1 2 334.323 -1.185 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607742 792080956 /nfs/dbraw/zinc/08/09/56/792080956.db2.gz QFWYRQAWELCNGY-IUCAKERBSA-N 1 2 334.323 -1.185 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607743 792081127 /nfs/dbraw/zinc/08/11/27/792081127.db2.gz 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C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642823 792094559 /nfs/dbraw/zinc/09/45/59/792094559.db2.gz WZCUNOJKQQLFAX-JQWIXIFHSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642823 792094552 /nfs/dbraw/zinc/09/45/52/792094552.db2.gz WZCUNOJKQQLFAX-JQWIXIFHSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642824 792095204 /nfs/dbraw/zinc/09/52/04/792095204.db2.gz WZCUNOJKQQLFAX-PWSUYJOCSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642824 792095195 /nfs/dbraw/zinc/09/51/95/792095195.db2.gz WZCUNOJKQQLFAX-PWSUYJOCSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001099642825 792094826 /nfs/dbraw/zinc/09/48/26/792094826.db2.gz WZCUNOJKQQLFAX-ZYHUDNBSSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001099642825 792094812 /nfs/dbraw/zinc/09/48/12/792094812.db2.gz WZCUNOJKQQLFAX-ZYHUDNBSSA-N 1 2 333.348 -1.903 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001099642918 792094792 /nfs/dbraw/zinc/09/47/92/792094792.db2.gz YLERATAGVMLMSB-CMPLNLGQSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001099642918 792094777 /nfs/dbraw/zinc/09/47/77/792094777.db2.gz YLERATAGVMLMSB-CMPLNLGQSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642919 792096623 /nfs/dbraw/zinc/09/66/23/792096623.db2.gz YLERATAGVMLMSB-JQWIXIFHSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642919 792096612 /nfs/dbraw/zinc/09/66/12/792096612.db2.gz YLERATAGVMLMSB-JQWIXIFHSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642920 792095763 /nfs/dbraw/zinc/09/57/63/792095763.db2.gz YLERATAGVMLMSB-PWSUYJOCSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001099642920 792095754 /nfs/dbraw/zinc/09/57/54/792095754.db2.gz YLERATAGVMLMSB-PWSUYJOCSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001099642921 792095795 /nfs/dbraw/zinc/09/57/95/792095795.db2.gz YLERATAGVMLMSB-ZYHUDNBSSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001099642921 792095785 /nfs/dbraw/zinc/09/57/85/792095785.db2.gz YLERATAGVMLMSB-ZYHUDNBSSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642978 792095905 /nfs/dbraw/zinc/09/59/05/792095905.db2.gz ZEJVLTKYGVYTLT-NEPJUHHUSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642978 792095893 /nfs/dbraw/zinc/09/58/93/792095893.db2.gz ZEJVLTKYGVYTLT-NEPJUHHUSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642979 792096740 /nfs/dbraw/zinc/09/67/40/792096740.db2.gz ZEJVLTKYGVYTLT-NWDGAFQWSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642979 792096734 /nfs/dbraw/zinc/09/67/34/792096734.db2.gz ZEJVLTKYGVYTLT-NWDGAFQWSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642980 792096154 /nfs/dbraw/zinc/09/61/54/792096154.db2.gz ZEJVLTKYGVYTLT-RYUDHWBXSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642980 792096146 /nfs/dbraw/zinc/09/61/46/792096146.db2.gz ZEJVLTKYGVYTLT-RYUDHWBXSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642981 792095940 /nfs/dbraw/zinc/09/59/40/792095940.db2.gz ZEJVLTKYGVYTLT-VXGBXAGGSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642981 792095929 /nfs/dbraw/zinc/09/59/29/792095929.db2.gz ZEJVLTKYGVYTLT-VXGBXAGGSA-N 1 2 325.365 -1.272 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645204 792096929 /nfs/dbraw/zinc/09/69/29/792096929.db2.gz NTHDNYOSIQZNJD-CHWSQXEVSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645204 792096918 /nfs/dbraw/zinc/09/69/18/792096918.db2.gz NTHDNYOSIQZNJD-CHWSQXEVSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645205 792096127 /nfs/dbraw/zinc/09/61/27/792096127.db2.gz NTHDNYOSIQZNJD-OLZOCXBDSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645205 792096118 /nfs/dbraw/zinc/09/61/18/792096118.db2.gz NTHDNYOSIQZNJD-OLZOCXBDSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645206 792096425 /nfs/dbraw/zinc/09/64/25/792096425.db2.gz NTHDNYOSIQZNJD-QWHCGFSZSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645206 792096414 /nfs/dbraw/zinc/09/64/14/792096414.db2.gz NTHDNYOSIQZNJD-QWHCGFSZSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645207 792097170 /nfs/dbraw/zinc/09/71/70/792097170.db2.gz NTHDNYOSIQZNJD-STQMWFEESA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645207 792097163 /nfs/dbraw/zinc/09/71/63/792097163.db2.gz NTHDNYOSIQZNJD-STQMWFEESA-N 1 2 338.408 -1.538 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645512 792097145 /nfs/dbraw/zinc/09/71/45/792097145.db2.gz SWDMIEKNYDEZDY-CHWSQXEVSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645512 792097139 /nfs/dbraw/zinc/09/71/39/792097139.db2.gz SWDMIEKNYDEZDY-CHWSQXEVSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645513 792094689 /nfs/dbraw/zinc/09/46/89/792094689.db2.gz SWDMIEKNYDEZDY-OLZOCXBDSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645513 792094674 /nfs/dbraw/zinc/09/46/74/792094674.db2.gz SWDMIEKNYDEZDY-OLZOCXBDSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645514 792096213 /nfs/dbraw/zinc/09/62/13/792096213.db2.gz SWDMIEKNYDEZDY-QWHCGFSZSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645514 792096203 /nfs/dbraw/zinc/09/62/03/792096203.db2.gz SWDMIEKNYDEZDY-QWHCGFSZSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645515 792095664 /nfs/dbraw/zinc/09/56/64/792095664.db2.gz 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N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645545 792095269 /nfs/dbraw/zinc/09/52/69/792095269.db2.gz UDUOUQPQLOFRPF-RYUDHWBXSA-N 1 2 337.380 -2.200 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001099645545 792095256 /nfs/dbraw/zinc/09/52/56/792095256.db2.gz UDUOUQPQLOFRPF-RYUDHWBXSA-N 1 2 337.380 -2.200 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645546 792097849 /nfs/dbraw/zinc/09/78/49/792097849.db2.gz UDUOUQPQLOFRPF-VXGBXAGGSA-N 1 2 337.380 -2.200 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001099645546 792097840 /nfs/dbraw/zinc/09/78/40/792097840.db2.gz UDUOUQPQLOFRPF-VXGBXAGGSA-N 1 2 337.380 -2.200 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099648729 792099250 /nfs/dbraw/zinc/09/92/50/792099250.db2.gz XOHVKBDBBZGPPF-NEPJUHHUSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099648729 792099241 /nfs/dbraw/zinc/09/92/41/792099241.db2.gz XOHVKBDBBZGPPF-NEPJUHHUSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099648730 792099078 /nfs/dbraw/zinc/09/90/78/792099078.db2.gz XOHVKBDBBZGPPF-NWDGAFQWSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099648730 792099068 /nfs/dbraw/zinc/09/90/68/792099068.db2.gz XOHVKBDBBZGPPF-NWDGAFQWSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099648731 792099903 /nfs/dbraw/zinc/09/99/03/792099903.db2.gz XOHVKBDBBZGPPF-RYUDHWBXSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099648731 792099892 /nfs/dbraw/zinc/09/98/92/792099892.db2.gz XOHVKBDBBZGPPF-RYUDHWBXSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC)[C@H](O)C1 ZINC001099648732 792099782 /nfs/dbraw/zinc/09/97/82/792099782.db2.gz XOHVKBDBBZGPPF-VXGBXAGGSA-N 1 2 342.396 -1.414 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC)[C@H](O)C1 ZINC001099648732 792099769 /nfs/dbraw/zinc/09/97/69/792099769.db2.gz XOHVKBDBBZGPPF-VXGBXAGGSA-N 1 2 342.396 -1.414 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2snnc2C)[C@H](O)C1 ZINC001099651537 792102481 /nfs/dbraw/zinc/10/24/81/792102481.db2.gz UVAWHCOELXEOFL-GHMZBOCLSA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2snnc2C)[C@H](O)C1 ZINC001099651537 792102475 /nfs/dbraw/zinc/10/24/75/792102475.db2.gz UVAWHCOELXEOFL-GHMZBOCLSA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001099651538 792102723 /nfs/dbraw/zinc/10/27/23/792102723.db2.gz UVAWHCOELXEOFL-MNOVXSKESA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001099651538 792102717 /nfs/dbraw/zinc/10/27/17/792102717.db2.gz UVAWHCOELXEOFL-MNOVXSKESA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001099651539 792101701 /nfs/dbraw/zinc/10/17/01/792101701.db2.gz UVAWHCOELXEOFL-QWRGUYRKSA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2snnc2C)[C@@H](O)C1 ZINC001099651539 792101690 /nfs/dbraw/zinc/10/16/90/792101690.db2.gz UVAWHCOELXEOFL-QWRGUYRKSA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2snnc2C)[C@H](O)C1 ZINC001099651540 792102316 /nfs/dbraw/zinc/10/23/16/792102316.db2.gz UVAWHCOELXEOFL-WDEREUQCSA-N 1 2 337.405 -1.239 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2snnc2C)[C@H](O)C1 ZINC001099651540 792102310 /nfs/dbraw/zinc/10/23/10/792102310.db2.gz UVAWHCOELXEOFL-WDEREUQCSA-N 1 2 337.405 -1.239 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@H](O)C1 ZINC001099655074 786182563 /nfs/dbraw/zinc/18/25/63/786182563.db2.gz WOPSABSICUDSSU-GHMZBOCLSA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@H](O)C1 ZINC001099655074 786182561 /nfs/dbraw/zinc/18/25/61/786182561.db2.gz WOPSABSICUDSSU-GHMZBOCLSA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099655075 786182344 /nfs/dbraw/zinc/18/23/44/786182344.db2.gz WOPSABSICUDSSU-MNOVXSKESA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099655075 786182339 /nfs/dbraw/zinc/18/23/39/786182339.db2.gz WOPSABSICUDSSU-MNOVXSKESA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099655076 786181723 /nfs/dbraw/zinc/18/17/23/786181723.db2.gz WOPSABSICUDSSU-QWRGUYRKSA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099655076 786181721 /nfs/dbraw/zinc/18/17/21/786181721.db2.gz WOPSABSICUDSSU-QWRGUYRKSA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099655077 786182320 /nfs/dbraw/zinc/18/23/20/786182320.db2.gz WOPSABSICUDSSU-WDEREUQCSA-N 1 2 344.437 -1.087 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099655077 786182317 /nfs/dbraw/zinc/18/23/17/786182317.db2.gz WOPSABSICUDSSU-WDEREUQCSA-N 1 2 344.437 -1.087 20 30 EAEDLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099663276 792102584 /nfs/dbraw/zinc/10/25/84/792102584.db2.gz MBZGWFNBZKDBLL-CHWSQXEVSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099663276 792102582 /nfs/dbraw/zinc/10/25/82/792102582.db2.gz MBZGWFNBZKDBLL-CHWSQXEVSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099663277 792101372 /nfs/dbraw/zinc/10/13/72/792101372.db2.gz MBZGWFNBZKDBLL-OLZOCXBDSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099663277 792101364 /nfs/dbraw/zinc/10/13/64/792101364.db2.gz MBZGWFNBZKDBLL-OLZOCXBDSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099663278 792100893 /nfs/dbraw/zinc/10/08/93/792100893.db2.gz MBZGWFNBZKDBLL-QWHCGFSZSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099663278 792100889 /nfs/dbraw/zinc/10/08/89/792100889.db2.gz MBZGWFNBZKDBLL-QWHCGFSZSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099663279 792101393 /nfs/dbraw/zinc/10/13/93/792101393.db2.gz MBZGWFNBZKDBLL-STQMWFEESA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099663279 792101390 /nfs/dbraw/zinc/10/13/90/792101390.db2.gz MBZGWFNBZKDBLL-STQMWFEESA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 ZINC001099663911 792102697 /nfs/dbraw/zinc/10/26/97/792102697.db2.gz VMFVCNFIDCXYED-KBPBESRZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 ZINC001099663911 792102691 /nfs/dbraw/zinc/10/26/91/792102691.db2.gz VMFVCNFIDCXYED-KBPBESRZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 ZINC001099663912 792102672 /nfs/dbraw/zinc/10/26/72/792102672.db2.gz VMFVCNFIDCXYED-KGLIPLIRSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 ZINC001099663912 792102670 /nfs/dbraw/zinc/10/26/70/792102670.db2.gz VMFVCNFIDCXYED-KGLIPLIRSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)[C@H](O)C1 ZINC001099663913 792102159 /nfs/dbraw/zinc/10/21/59/792102159.db2.gz VMFVCNFIDCXYED-UONOGXRCSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)[C@H](O)C1 ZINC001099663913 792102154 /nfs/dbraw/zinc/10/21/54/792102154.db2.gz VMFVCNFIDCXYED-UONOGXRCSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C)[C@H](O)C1 ZINC001099663914 792102185 /nfs/dbraw/zinc/10/21/85/792102185.db2.gz VMFVCNFIDCXYED-ZIAGYGMSSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C)[C@H](O)C1 ZINC001099663914 792102177 /nfs/dbraw/zinc/10/21/77/792102177.db2.gz VMFVCNFIDCXYED-ZIAGYGMSSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@H](O)C1 ZINC001099675382 792110658 /nfs/dbraw/zinc/11/06/58/792110658.db2.gz LOVILAZFULGLHW-GXTWGEPZSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@H](O)C1 ZINC001099675382 792110654 /nfs/dbraw/zinc/11/06/54/792110654.db2.gz LOVILAZFULGLHW-GXTWGEPZSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](O)C1 ZINC001099675383 792110782 /nfs/dbraw/zinc/11/07/82/792110782.db2.gz LOVILAZFULGLHW-JSGCOSHPSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](O)C1 ZINC001099675383 792110776 /nfs/dbraw/zinc/11/07/76/792110776.db2.gz LOVILAZFULGLHW-JSGCOSHPSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](O)C1 ZINC001099675384 792109594 /nfs/dbraw/zinc/10/95/94/792109594.db2.gz LOVILAZFULGLHW-OCCSQVGLSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](O)C1 ZINC001099675384 792109589 /nfs/dbraw/zinc/10/95/89/792109589.db2.gz LOVILAZFULGLHW-OCCSQVGLSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](O)C1 ZINC001099675385 792110006 /nfs/dbraw/zinc/11/00/06/792110006.db2.gz LOVILAZFULGLHW-TZMCWYRMSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](O)C1 ZINC001099675385 792110000 /nfs/dbraw/zinc/11/00/00/792110000.db2.gz LOVILAZFULGLHW-TZMCWYRMSA-N 1 2 333.392 -1.114 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]n1 ZINC001099675466 786231614 /nfs/dbraw/zinc/23/16/14/786231614.db2.gz NAIPWCIAWUQUIX-AAEUAGOBSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]n1 ZINC001099675466 786231609 /nfs/dbraw/zinc/23/16/09/786231609.db2.gz NAIPWCIAWUQUIX-AAEUAGOBSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]n1 ZINC001099675467 786232101 /nfs/dbraw/zinc/23/21/01/786232101.db2.gz NAIPWCIAWUQUIX-DGCLKSJQSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]n1 ZINC001099675467 786232095 /nfs/dbraw/zinc/23/20/95/786232095.db2.gz NAIPWCIAWUQUIX-DGCLKSJQSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]n1 ZINC001099675468 786232141 /nfs/dbraw/zinc/23/21/41/786232141.db2.gz NAIPWCIAWUQUIX-WCQYABFASA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]n1 ZINC001099675468 786232139 /nfs/dbraw/zinc/23/21/39/786232139.db2.gz NAIPWCIAWUQUIX-WCQYABFASA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]n1 ZINC001099675469 786231972 /nfs/dbraw/zinc/23/19/72/786231972.db2.gz NAIPWCIAWUQUIX-YPMHNXCESA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]n1 ZINC001099675469 786231969 /nfs/dbraw/zinc/23/19/69/786231969.db2.gz NAIPWCIAWUQUIX-YPMHNXCESA-N 1 2 334.380 -1.223 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677768 786243652 /nfs/dbraw/zinc/24/36/52/786243652.db2.gz ASQKGVSRVGYRHW-NEPJUHHUSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677768 786243648 /nfs/dbraw/zinc/24/36/48/786243648.db2.gz ASQKGVSRVGYRHW-NEPJUHHUSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677769 792109608 /nfs/dbraw/zinc/10/96/08/792109608.db2.gz ASQKGVSRVGYRHW-NWDGAFQWSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677769 792109603 /nfs/dbraw/zinc/10/96/03/792109603.db2.gz ASQKGVSRVGYRHW-NWDGAFQWSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677770 792110639 /nfs/dbraw/zinc/11/06/39/792110639.db2.gz ASQKGVSRVGYRHW-RYUDHWBXSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099677770 792110631 /nfs/dbraw/zinc/11/06/31/792110631.db2.gz ASQKGVSRVGYRHW-RYUDHWBXSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677771 792109767 /nfs/dbraw/zinc/10/97/67/792109767.db2.gz ASQKGVSRVGYRHW-VXGBXAGGSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099677771 792109763 /nfs/dbraw/zinc/10/97/63/792109763.db2.gz ASQKGVSRVGYRHW-VXGBXAGGSA-N 1 2 335.368 -2.141 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678148 792110168 /nfs/dbraw/zinc/11/01/68/792110168.db2.gz GIFWULAONBZXLL-CHWSQXEVSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678148 792110162 /nfs/dbraw/zinc/11/01/62/792110162.db2.gz GIFWULAONBZXLL-CHWSQXEVSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678149 792110101 /nfs/dbraw/zinc/11/01/01/792110101.db2.gz GIFWULAONBZXLL-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678149 792110091 /nfs/dbraw/zinc/11/00/91/792110091.db2.gz GIFWULAONBZXLL-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678150 792109983 /nfs/dbraw/zinc/10/99/83/792109983.db2.gz GIFWULAONBZXLL-QWHCGFSZSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678150 792109976 /nfs/dbraw/zinc/10/99/76/792109976.db2.gz GIFWULAONBZXLL-QWHCGFSZSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678151 792109674 /nfs/dbraw/zinc/10/96/74/792109674.db2.gz GIFWULAONBZXLL-STQMWFEESA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678151 792109671 /nfs/dbraw/zinc/10/96/71/792109671.db2.gz GIFWULAONBZXLL-STQMWFEESA-N 1 2 336.396 -1.478 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678871 792112278 /nfs/dbraw/zinc/11/22/78/792112278.db2.gz QNWRYRSDBLARKM-CHWSQXEVSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678871 792112273 /nfs/dbraw/zinc/11/22/73/792112273.db2.gz QNWRYRSDBLARKM-CHWSQXEVSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678872 792112592 /nfs/dbraw/zinc/11/25/92/792112592.db2.gz QNWRYRSDBLARKM-OLZOCXBDSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678872 792112588 /nfs/dbraw/zinc/11/25/88/792112588.db2.gz QNWRYRSDBLARKM-OLZOCXBDSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678873 792112387 /nfs/dbraw/zinc/11/23/87/792112387.db2.gz QNWRYRSDBLARKM-QWHCGFSZSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678873 792112382 /nfs/dbraw/zinc/11/23/82/792112382.db2.gz QNWRYRSDBLARKM-QWHCGFSZSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678874 792111879 /nfs/dbraw/zinc/11/18/79/792111879.db2.gz QNWRYRSDBLARKM-STQMWFEESA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678874 792111875 /nfs/dbraw/zinc/11/18/75/792111875.db2.gz QNWRYRSDBLARKM-STQMWFEESA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099683838 792112398 /nfs/dbraw/zinc/11/23/98/792112398.db2.gz JBVXGGGAIMFKOJ-KBPBESRZSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099683838 792112394 /nfs/dbraw/zinc/11/23/94/792112394.db2.gz JBVXGGGAIMFKOJ-KBPBESRZSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099683839 792112444 /nfs/dbraw/zinc/11/24/44/792112444.db2.gz JBVXGGGAIMFKOJ-KGLIPLIRSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099683839 792112440 /nfs/dbraw/zinc/11/24/40/792112440.db2.gz JBVXGGGAIMFKOJ-KGLIPLIRSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099683840 792112580 /nfs/dbraw/zinc/11/25/80/792112580.db2.gz JBVXGGGAIMFKOJ-UONOGXRCSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099683840 792112575 /nfs/dbraw/zinc/11/25/75/792112575.db2.gz JBVXGGGAIMFKOJ-UONOGXRCSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099683841 792111729 /nfs/dbraw/zinc/11/17/29/792111729.db2.gz JBVXGGGAIMFKOJ-ZIAGYGMSSA-N 1 2 333.392 -1.426 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099683841 792111724 /nfs/dbraw/zinc/11/17/24/792111724.db2.gz JBVXGGGAIMFKOJ-ZIAGYGMSSA-N 1 2 333.392 -1.426 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684214 792112327 /nfs/dbraw/zinc/11/23/27/792112327.db2.gz OPJKHCZIWNSYCA-CHWSQXEVSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684214 792112326 /nfs/dbraw/zinc/11/23/26/792112326.db2.gz OPJKHCZIWNSYCA-CHWSQXEVSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684215 792111598 /nfs/dbraw/zinc/11/15/98/792111598.db2.gz OPJKHCZIWNSYCA-OLZOCXBDSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684215 792111590 /nfs/dbraw/zinc/11/15/90/792111590.db2.gz OPJKHCZIWNSYCA-OLZOCXBDSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684216 792112304 /nfs/dbraw/zinc/11/23/04/792112304.db2.gz OPJKHCZIWNSYCA-QWHCGFSZSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684216 792112302 /nfs/dbraw/zinc/11/23/02/792112302.db2.gz OPJKHCZIWNSYCA-QWHCGFSZSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684217 792111753 /nfs/dbraw/zinc/11/17/53/792111753.db2.gz OPJKHCZIWNSYCA-STQMWFEESA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684217 792111747 /nfs/dbraw/zinc/11/17/47/792111747.db2.gz OPJKHCZIWNSYCA-STQMWFEESA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099686977 792113804 /nfs/dbraw/zinc/11/38/04/792113804.db2.gz NKLYMKISVACLQK-BDAKNGLRSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099686977 792113799 /nfs/dbraw/zinc/11/37/99/792113799.db2.gz NKLYMKISVACLQK-BDAKNGLRSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099686978 792113786 /nfs/dbraw/zinc/11/37/86/792113786.db2.gz NKLYMKISVACLQK-DTWKUNHWSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099686978 792113784 /nfs/dbraw/zinc/11/37/84/792113784.db2.gz NKLYMKISVACLQK-DTWKUNHWSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099686979 792114440 /nfs/dbraw/zinc/11/44/40/792114440.db2.gz NKLYMKISVACLQK-IUCAKERBSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099686979 792114435 /nfs/dbraw/zinc/11/44/35/792114435.db2.gz NKLYMKISVACLQK-IUCAKERBSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099686980 792113502 /nfs/dbraw/zinc/11/35/02/792113502.db2.gz NKLYMKISVACLQK-RKDXNWHRSA-N 1 2 329.382 -2.011 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099686980 792113496 /nfs/dbraw/zinc/11/34/96/792113496.db2.gz NKLYMKISVACLQK-RKDXNWHRSA-N 1 2 329.382 -2.011 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099687009 792114069 /nfs/dbraw/zinc/11/40/69/792114069.db2.gz NTJPVRNKLGNRKU-CHWSQXEVSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099687009 792114065 /nfs/dbraw/zinc/11/40/65/792114065.db2.gz NTJPVRNKLGNRKU-CHWSQXEVSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001099687010 792114309 /nfs/dbraw/zinc/11/43/09/792114309.db2.gz NTJPVRNKLGNRKU-OLZOCXBDSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001099687010 792114306 /nfs/dbraw/zinc/11/43/06/792114306.db2.gz NTJPVRNKLGNRKU-OLZOCXBDSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099687011 792113477 /nfs/dbraw/zinc/11/34/77/792113477.db2.gz NTJPVRNKLGNRKU-QWHCGFSZSA-N 1 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CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099690188 786279401 /nfs/dbraw/zinc/27/94/01/786279401.db2.gz LGUGWHKZPGCJOX-NWDGAFQWSA-N 1 2 325.369 -2.344 20 30 EAEDLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099690188 786279394 /nfs/dbraw/zinc/27/93/94/786279394.db2.gz LGUGWHKZPGCJOX-NWDGAFQWSA-N 1 2 325.369 -2.344 20 30 EAEDLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099690189 786279035 /nfs/dbraw/zinc/27/90/35/786279035.db2.gz LGUGWHKZPGCJOX-RYUDHWBXSA-N 1 2 325.369 -2.344 20 30 EAEDLO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099690189 786279034 /nfs/dbraw/zinc/27/90/34/786279034.db2.gz LGUGWHKZPGCJOX-RYUDHWBXSA-N 1 2 325.369 -2.344 20 30 EAEDLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099690190 786278929 /nfs/dbraw/zinc/27/89/29/786278929.db2.gz LGUGWHKZPGCJOX-VXGBXAGGSA-N 1 2 325.369 -2.344 20 30 EAEDLO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099690190 786278924 /nfs/dbraw/zinc/27/89/24/786278924.db2.gz LGUGWHKZPGCJOX-VXGBXAGGSA-N 1 2 325.369 -2.344 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099690539 792114734 /nfs/dbraw/zinc/11/47/34/792114734.db2.gz QEBMITOMWKOQBL-GHMZBOCLSA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099690539 792114725 /nfs/dbraw/zinc/11/47/25/792114725.db2.gz QEBMITOMWKOQBL-GHMZBOCLSA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099690540 792114377 /nfs/dbraw/zinc/11/43/77/792114377.db2.gz QEBMITOMWKOQBL-MNOVXSKESA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099690540 792114372 /nfs/dbraw/zinc/11/43/72/792114372.db2.gz QEBMITOMWKOQBL-MNOVXSKESA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099690541 792114167 /nfs/dbraw/zinc/11/41/67/792114167.db2.gz QEBMITOMWKOQBL-QWRGUYRKSA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099690541 792114164 /nfs/dbraw/zinc/11/41/64/792114164.db2.gz QEBMITOMWKOQBL-QWRGUYRKSA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099690542 792113997 /nfs/dbraw/zinc/11/39/97/792113997.db2.gz QEBMITOMWKOQBL-WDEREUQCSA-N 1 2 325.394 -1.566 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099690542 792113992 /nfs/dbraw/zinc/11/39/92/792113992.db2.gz QEBMITOMWKOQBL-WDEREUQCSA-N 1 2 325.394 -1.566 20 30 EAEDLO CC(C)OCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099693031 792116697 /nfs/dbraw/zinc/11/66/97/792116697.db2.gz KYVWHMOMCGUYII-CHWSQXEVSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099693031 792116690 /nfs/dbraw/zinc/11/66/90/792116690.db2.gz KYVWHMOMCGUYII-CHWSQXEVSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099693032 792116183 /nfs/dbraw/zinc/11/61/83/792116183.db2.gz KYVWHMOMCGUYII-OLZOCXBDSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099693032 792116175 /nfs/dbraw/zinc/11/61/75/792116175.db2.gz KYVWHMOMCGUYII-OLZOCXBDSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099693033 792117052 /nfs/dbraw/zinc/11/70/52/792117052.db2.gz KYVWHMOMCGUYII-QWHCGFSZSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099693033 792117049 /nfs/dbraw/zinc/11/70/49/792117049.db2.gz KYVWHMOMCGUYII-QWHCGFSZSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099693034 792116970 /nfs/dbraw/zinc/11/69/70/792116970.db2.gz KYVWHMOMCGUYII-STQMWFEESA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)OCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099693034 792116967 /nfs/dbraw/zinc/11/69/67/792116967.db2.gz KYVWHMOMCGUYII-STQMWFEESA-N 1 2 326.397 -1.007 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099693899 792116555 /nfs/dbraw/zinc/11/65/55/792116555.db2.gz ZOHDDXOEIZELNX-NXEZZACHSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099693899 792116551 /nfs/dbraw/zinc/11/65/51/792116551.db2.gz ZOHDDXOEIZELNX-NXEZZACHSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099693900 792116319 /nfs/dbraw/zinc/11/63/19/792116319.db2.gz ZOHDDXOEIZELNX-UWVGGRQHSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099693900 792116311 /nfs/dbraw/zinc/11/63/11/792116311.db2.gz ZOHDDXOEIZELNX-UWVGGRQHSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099693901 792117122 /nfs/dbraw/zinc/11/71/22/792117122.db2.gz ZOHDDXOEIZELNX-VHSXEESVSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099693901 792117119 /nfs/dbraw/zinc/11/71/19/792117119.db2.gz ZOHDDXOEIZELNX-VHSXEESVSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099693902 792116721 /nfs/dbraw/zinc/11/67/21/792116721.db2.gz ZOHDDXOEIZELNX-ZJUUUORDSA-N 1 2 343.409 -1.750 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099693902 792116715 /nfs/dbraw/zinc/11/67/15/792116715.db2.gz ZOHDDXOEIZELNX-ZJUUUORDSA-N 1 2 343.409 -1.750 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099695469 792115463 /nfs/dbraw/zinc/11/54/63/792115463.db2.gz IRYSIEKQQJGRKT-GHMZBOCLSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099695469 792115459 /nfs/dbraw/zinc/11/54/59/792115459.db2.gz IRYSIEKQQJGRKT-GHMZBOCLSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099695470 792117019 /nfs/dbraw/zinc/11/70/19/792117019.db2.gz IRYSIEKQQJGRKT-MNOVXSKESA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099695470 792117014 /nfs/dbraw/zinc/11/70/14/792117014.db2.gz IRYSIEKQQJGRKT-MNOVXSKESA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099695471 792117003 /nfs/dbraw/zinc/11/70/03/792117003.db2.gz IRYSIEKQQJGRKT-QWRGUYRKSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099695471 792116996 /nfs/dbraw/zinc/11/69/96/792116996.db2.gz IRYSIEKQQJGRKT-QWRGUYRKSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099695472 792116877 /nfs/dbraw/zinc/11/68/77/792116877.db2.gz IRYSIEKQQJGRKT-WDEREUQCSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099695472 792116869 /nfs/dbraw/zinc/11/68/69/792116869.db2.gz IRYSIEKQQJGRKT-WDEREUQCSA-N 1 2 328.369 -1.804 20 30 EAEDLO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099695525 786289974 /nfs/dbraw/zinc/28/99/74/786289974.db2.gz JULFHNOTHBRAMT-NXEZZACHSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099695525 786289972 /nfs/dbraw/zinc/28/99/72/786289972.db2.gz JULFHNOTHBRAMT-NXEZZACHSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099695526 786289277 /nfs/dbraw/zinc/28/92/77/786289277.db2.gz JULFHNOTHBRAMT-UWVGGRQHSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099695526 786289273 /nfs/dbraw/zinc/28/92/73/786289273.db2.gz JULFHNOTHBRAMT-UWVGGRQHSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099695527 786292006 /nfs/dbraw/zinc/29/20/06/786292006.db2.gz JULFHNOTHBRAMT-VHSXEESVSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099695527 786292002 /nfs/dbraw/zinc/29/20/02/786292002.db2.gz JULFHNOTHBRAMT-VHSXEESVSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099695528 786290771 /nfs/dbraw/zinc/29/07/71/786290771.db2.gz JULFHNOTHBRAMT-ZJUUUORDSA-N 1 2 327.341 -2.466 20 30 EAEDLO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099695528 786290766 /nfs/dbraw/zinc/29/07/66/786290766.db2.gz JULFHNOTHBRAMT-ZJUUUORDSA-N 1 2 327.341 -2.466 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)[C@H](O)C1 ZINC001099697943 792118487 /nfs/dbraw/zinc/11/84/87/792118487.db2.gz HCKAEHJRFMKIQZ-GXTWGEPZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)[C@H](O)C1 ZINC001099697943 792118479 /nfs/dbraw/zinc/11/84/79/792118479.db2.gz HCKAEHJRFMKIQZ-GXTWGEPZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 ZINC001099697944 792118300 /nfs/dbraw/zinc/11/83/00/792118300.db2.gz HCKAEHJRFMKIQZ-JSGCOSHPSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 ZINC001099697944 792118294 /nfs/dbraw/zinc/11/82/94/792118294.db2.gz HCKAEHJRFMKIQZ-JSGCOSHPSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 ZINC001099697945 792118442 /nfs/dbraw/zinc/11/84/42/792118442.db2.gz HCKAEHJRFMKIQZ-OCCSQVGLSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 ZINC001099697945 792118433 /nfs/dbraw/zinc/11/84/33/792118433.db2.gz HCKAEHJRFMKIQZ-OCCSQVGLSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)[C@H](O)C1 ZINC001099697946 792119154 /nfs/dbraw/zinc/11/91/54/792119154.db2.gz HCKAEHJRFMKIQZ-TZMCWYRMSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)[C@H](O)C1 ZINC001099697946 792119150 /nfs/dbraw/zinc/11/91/50/792119150.db2.gz HCKAEHJRFMKIQZ-TZMCWYRMSA-N 1 2 333.392 -1.357 20 30 EAEDLO CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099697979 786304400 /nfs/dbraw/zinc/30/44/00/786304400.db2.gz HKXDWJKLBWSMTO-CHWSQXEVSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099697979 786304393 /nfs/dbraw/zinc/30/43/93/786304393.db2.gz HKXDWJKLBWSMTO-CHWSQXEVSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099697980 786304452 /nfs/dbraw/zinc/30/44/52/786304452.db2.gz HKXDWJKLBWSMTO-OLZOCXBDSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099697980 786304447 /nfs/dbraw/zinc/30/44/47/786304447.db2.gz HKXDWJKLBWSMTO-OLZOCXBDSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099697981 786305392 /nfs/dbraw/zinc/30/53/92/786305392.db2.gz HKXDWJKLBWSMTO-QWHCGFSZSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099697981 786305386 /nfs/dbraw/zinc/30/53/86/786305386.db2.gz HKXDWJKLBWSMTO-QWHCGFSZSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099697982 786305465 /nfs/dbraw/zinc/30/54/65/786305465.db2.gz HKXDWJKLBWSMTO-STQMWFEESA-N 1 2 326.397 -1.006 20 30 EAEDLO CCOCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099697982 786305457 /nfs/dbraw/zinc/30/54/57/786305457.db2.gz HKXDWJKLBWSMTO-STQMWFEESA-N 1 2 326.397 -1.006 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099698403 792118180 /nfs/dbraw/zinc/11/81/80/792118180.db2.gz NYBYGMVBWHREMR-AAEUAGOBSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099698403 792118174 /nfs/dbraw/zinc/11/81/74/792118174.db2.gz NYBYGMVBWHREMR-AAEUAGOBSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099698404 792118224 /nfs/dbraw/zinc/11/82/24/792118224.db2.gz NYBYGMVBWHREMR-DGCLKSJQSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099698404 792118220 /nfs/dbraw/zinc/11/82/20/792118220.db2.gz NYBYGMVBWHREMR-DGCLKSJQSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099698405 792118383 /nfs/dbraw/zinc/11/83/83/792118383.db2.gz NYBYGMVBWHREMR-WCQYABFASA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099698405 792118374 /nfs/dbraw/zinc/11/83/74/792118374.db2.gz NYBYGMVBWHREMR-WCQYABFASA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099698406 792119069 /nfs/dbraw/zinc/11/90/69/792119069.db2.gz NYBYGMVBWHREMR-YPMHNXCESA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099698406 792119064 /nfs/dbraw/zinc/11/90/64/792119064.db2.gz NYBYGMVBWHREMR-YPMHNXCESA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001099701685 792118745 /nfs/dbraw/zinc/11/87/45/792118745.db2.gz IHNSCOSSIAXLFU-KBPBESRZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001099701685 792118738 /nfs/dbraw/zinc/11/87/38/792118738.db2.gz IHNSCOSSIAXLFU-KBPBESRZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001099701686 792118648 /nfs/dbraw/zinc/11/86/48/792118648.db2.gz IHNSCOSSIAXLFU-KGLIPLIRSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001099701686 792118640 /nfs/dbraw/zinc/11/86/40/792118640.db2.gz IHNSCOSSIAXLFU-KGLIPLIRSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2C)[C@H](O)C1 ZINC001099701687 792117612 /nfs/dbraw/zinc/11/76/12/792117612.db2.gz IHNSCOSSIAXLFU-UONOGXRCSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2C)[C@H](O)C1 ZINC001099701687 792117602 /nfs/dbraw/zinc/11/76/02/792117602.db2.gz IHNSCOSSIAXLFU-UONOGXRCSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2C)[C@H](O)C1 ZINC001099701688 792117842 /nfs/dbraw/zinc/11/78/42/792117842.db2.gz IHNSCOSSIAXLFU-ZIAGYGMSSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2C)[C@H](O)C1 ZINC001099701688 792117838 /nfs/dbraw/zinc/11/78/38/792117838.db2.gz IHNSCOSSIAXLFU-ZIAGYGMSSA-N 1 2 331.376 -1.301 20 30 EAEDLO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099701841 792118087 /nfs/dbraw/zinc/11/80/87/792118087.db2.gz KJCRYVYESIUCNN-CHWSQXEVSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099701841 792118083 /nfs/dbraw/zinc/11/80/83/792118083.db2.gz KJCRYVYESIUCNN-CHWSQXEVSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099701842 792119199 /nfs/dbraw/zinc/11/91/99/792119199.db2.gz KJCRYVYESIUCNN-OLZOCXBDSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099701842 792119198 /nfs/dbraw/zinc/11/91/98/792119198.db2.gz KJCRYVYESIUCNN-OLZOCXBDSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099701843 792118401 /nfs/dbraw/zinc/11/84/01/792118401.db2.gz KJCRYVYESIUCNN-QWHCGFSZSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099701843 792118396 /nfs/dbraw/zinc/11/83/96/792118396.db2.gz KJCRYVYESIUCNN-QWHCGFSZSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099701844 792118945 /nfs/dbraw/zinc/11/89/45/792118945.db2.gz KJCRYVYESIUCNN-STQMWFEESA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099701844 792118939 /nfs/dbraw/zinc/11/89/39/792118939.db2.gz KJCRYVYESIUCNN-STQMWFEESA-N 1 2 332.364 -1.410 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703722 792121108 /nfs/dbraw/zinc/12/11/08/792121108.db2.gz AGOOBWBEYRFVCC-CHWSQXEVSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703722 792121102 /nfs/dbraw/zinc/12/11/02/792121102.db2.gz AGOOBWBEYRFVCC-CHWSQXEVSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703723 792120071 /nfs/dbraw/zinc/12/00/71/792120071.db2.gz AGOOBWBEYRFVCC-OLZOCXBDSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703723 792120063 /nfs/dbraw/zinc/12/00/63/792120063.db2.gz AGOOBWBEYRFVCC-OLZOCXBDSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703724 792120984 /nfs/dbraw/zinc/12/09/84/792120984.db2.gz AGOOBWBEYRFVCC-QWHCGFSZSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703724 792120980 /nfs/dbraw/zinc/12/09/80/792120980.db2.gz AGOOBWBEYRFVCC-QWHCGFSZSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703725 792120122 /nfs/dbraw/zinc/12/01/22/792120122.db2.gz AGOOBWBEYRFVCC-STQMWFEESA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703725 792120116 /nfs/dbraw/zinc/12/01/16/792120116.db2.gz AGOOBWBEYRFVCC-STQMWFEESA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001099703774 792120356 /nfs/dbraw/zinc/12/03/56/792120356.db2.gz BGWINWJBPLCQRC-KBPBESRZSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001099703774 792120352 /nfs/dbraw/zinc/12/03/52/792120352.db2.gz BGWINWJBPLCQRC-KBPBESRZSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001099703775 792120411 /nfs/dbraw/zinc/12/04/11/792120411.db2.gz BGWINWJBPLCQRC-KGLIPLIRSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001099703775 792120408 /nfs/dbraw/zinc/12/04/08/792120408.db2.gz BGWINWJBPLCQRC-KGLIPLIRSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 ZINC001099703776 792121288 /nfs/dbraw/zinc/12/12/88/792121288.db2.gz BGWINWJBPLCQRC-UONOGXRCSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 ZINC001099703776 792121283 /nfs/dbraw/zinc/12/12/83/792121283.db2.gz BGWINWJBPLCQRC-UONOGXRCSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 ZINC001099703777 792121349 /nfs/dbraw/zinc/12/13/49/792121349.db2.gz BGWINWJBPLCQRC-ZIAGYGMSSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 ZINC001099703777 792121345 /nfs/dbraw/zinc/12/13/45/792121345.db2.gz BGWINWJBPLCQRC-ZIAGYGMSSA-N 1 2 333.392 -1.508 20 30 EAEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099703962 792120661 /nfs/dbraw/zinc/12/06/61/792120661.db2.gz DOYAPTOCBVQBJM-CHWSQXEVSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099703962 792120653 /nfs/dbraw/zinc/12/06/53/792120653.db2.gz DOYAPTOCBVQBJM-CHWSQXEVSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099703963 792120476 /nfs/dbraw/zinc/12/04/76/792120476.db2.gz DOYAPTOCBVQBJM-OLZOCXBDSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099703963 792120472 /nfs/dbraw/zinc/12/04/72/792120472.db2.gz DOYAPTOCBVQBJM-OLZOCXBDSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099703964 792120791 /nfs/dbraw/zinc/12/07/91/792120791.db2.gz DOYAPTOCBVQBJM-QWHCGFSZSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099703964 792120787 /nfs/dbraw/zinc/12/07/87/792120787.db2.gz DOYAPTOCBVQBJM-QWHCGFSZSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099703965 792120227 /nfs/dbraw/zinc/12/02/27/792120227.db2.gz DOYAPTOCBVQBJM-STQMWFEESA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099703965 792120221 /nfs/dbraw/zinc/12/02/21/792120221.db2.gz DOYAPTOCBVQBJM-STQMWFEESA-N 1 2 334.380 -1.617 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 ZINC001099703986 792120341 /nfs/dbraw/zinc/12/03/41/792120341.db2.gz DULSNKYUSJOODG-GXTWGEPZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 ZINC001099703986 792120335 /nfs/dbraw/zinc/12/03/35/792120335.db2.gz DULSNKYUSJOODG-GXTWGEPZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 ZINC001099703987 792121125 /nfs/dbraw/zinc/12/11/25/792121125.db2.gz DULSNKYUSJOODG-JSGCOSHPSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 ZINC001099703987 792121120 /nfs/dbraw/zinc/12/11/20/792121120.db2.gz DULSNKYUSJOODG-JSGCOSHPSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 ZINC001099703988 792120958 /nfs/dbraw/zinc/12/09/58/792120958.db2.gz DULSNKYUSJOODG-OCCSQVGLSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 ZINC001099703988 792120952 /nfs/dbraw/zinc/12/09/52/792120952.db2.gz DULSNKYUSJOODG-OCCSQVGLSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 ZINC001099703989 792120823 /nfs/dbraw/zinc/12/08/23/792120823.db2.gz DULSNKYUSJOODG-TZMCWYRMSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 ZINC001099703989 792120818 /nfs/dbraw/zinc/12/08/18/792120818.db2.gz DULSNKYUSJOODG-TZMCWYRMSA-N 1 2 333.392 -1.357 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099704126 792121001 /nfs/dbraw/zinc/12/10/01/792121001.db2.gz GRNFDFICWAHCMR-NEPJUHHUSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099704126 792120996 /nfs/dbraw/zinc/12/09/96/792120996.db2.gz GRNFDFICWAHCMR-NEPJUHHUSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099704127 792120101 /nfs/dbraw/zinc/12/01/01/792120101.db2.gz GRNFDFICWAHCMR-NWDGAFQWSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099704127 792120098 /nfs/dbraw/zinc/12/00/98/792120098.db2.gz GRNFDFICWAHCMR-NWDGAFQWSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099704128 792120938 /nfs/dbraw/zinc/12/09/38/792120938.db2.gz GRNFDFICWAHCMR-RYUDHWBXSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099704128 792120932 /nfs/dbraw/zinc/12/09/32/792120932.db2.gz GRNFDFICWAHCMR-RYUDHWBXSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099704129 792120438 /nfs/dbraw/zinc/12/04/38/792120438.db2.gz GRNFDFICWAHCMR-VXGBXAGGSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099704129 792120435 /nfs/dbraw/zinc/12/04/35/792120435.db2.gz GRNFDFICWAHCMR-VXGBXAGGSA-N 1 2 337.380 -2.296 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001099704546 792120581 /nfs/dbraw/zinc/12/05/81/792120581.db2.gz NKVWISVRUWVKMY-AAEUAGOBSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001099704546 792120577 /nfs/dbraw/zinc/12/05/77/792120577.db2.gz NKVWISVRUWVKMY-AAEUAGOBSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001099704547 792121239 /nfs/dbraw/zinc/12/12/39/792121239.db2.gz NKVWISVRUWVKMY-DGCLKSJQSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001099704547 792121234 /nfs/dbraw/zinc/12/12/34/792121234.db2.gz NKVWISVRUWVKMY-DGCLKSJQSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001099704548 792120491 /nfs/dbraw/zinc/12/04/91/792120491.db2.gz NKVWISVRUWVKMY-WCQYABFASA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001099704548 792120485 /nfs/dbraw/zinc/12/04/85/792120485.db2.gz NKVWISVRUWVKMY-WCQYABFASA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001099704549 792120037 /nfs/dbraw/zinc/12/00/37/792120037.db2.gz NKVWISVRUWVKMY-YPMHNXCESA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001099704549 792120034 /nfs/dbraw/zinc/12/00/34/792120034.db2.gz NKVWISVRUWVKMY-YPMHNXCESA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704750 792122269 /nfs/dbraw/zinc/12/22/69/792122269.db2.gz QDGMYDOPNSYGOR-GHMZBOCLSA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704750 792122264 /nfs/dbraw/zinc/12/22/64/792122264.db2.gz QDGMYDOPNSYGOR-GHMZBOCLSA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704751 792123465 /nfs/dbraw/zinc/12/34/65/792123465.db2.gz QDGMYDOPNSYGOR-MNOVXSKESA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704751 792123462 /nfs/dbraw/zinc/12/34/62/792123462.db2.gz QDGMYDOPNSYGOR-MNOVXSKESA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704752 792123280 /nfs/dbraw/zinc/12/32/80/792123280.db2.gz QDGMYDOPNSYGOR-QWRGUYRKSA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704752 792123275 /nfs/dbraw/zinc/12/32/75/792123275.db2.gz QDGMYDOPNSYGOR-QWRGUYRKSA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704753 792122938 /nfs/dbraw/zinc/12/29/38/792122938.db2.gz QDGMYDOPNSYGOR-WDEREUQCSA-N 1 2 326.353 -2.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704753 792122930 /nfs/dbraw/zinc/12/29/30/792122930.db2.gz QDGMYDOPNSYGOR-WDEREUQCSA-N 1 2 326.353 -2.357 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099705086 792122035 /nfs/dbraw/zinc/12/20/35/792122035.db2.gz VAALHYRXPWGFCM-CHWSQXEVSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099705086 792122033 /nfs/dbraw/zinc/12/20/33/792122033.db2.gz VAALHYRXPWGFCM-CHWSQXEVSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099705087 792122642 /nfs/dbraw/zinc/12/26/42/792122642.db2.gz VAALHYRXPWGFCM-OLZOCXBDSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099705087 792122637 /nfs/dbraw/zinc/12/26/37/792122637.db2.gz VAALHYRXPWGFCM-OLZOCXBDSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099705088 792122243 /nfs/dbraw/zinc/12/22/43/792122243.db2.gz VAALHYRXPWGFCM-QWHCGFSZSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099705088 792122238 /nfs/dbraw/zinc/12/22/38/792122238.db2.gz VAALHYRXPWGFCM-QWHCGFSZSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099705089 792122279 /nfs/dbraw/zinc/12/22/79/792122279.db2.gz VAALHYRXPWGFCM-STQMWFEESA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099705089 792122276 /nfs/dbraw/zinc/12/22/76/792122276.db2.gz VAALHYRXPWGFCM-STQMWFEESA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099711895 792126413 /nfs/dbraw/zinc/12/64/13/792126413.db2.gz HLSFQRWZNFEDTO-CHWSQXEVSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099711895 792126406 /nfs/dbraw/zinc/12/64/06/792126406.db2.gz HLSFQRWZNFEDTO-CHWSQXEVSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099711896 792126877 /nfs/dbraw/zinc/12/68/77/792126877.db2.gz HLSFQRWZNFEDTO-OLZOCXBDSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099711896 792126874 /nfs/dbraw/zinc/12/68/74/792126874.db2.gz HLSFQRWZNFEDTO-OLZOCXBDSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099711897 792127163 /nfs/dbraw/zinc/12/71/63/792127163.db2.gz HLSFQRWZNFEDTO-QWHCGFSZSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099711897 792127161 /nfs/dbraw/zinc/12/71/61/792127161.db2.gz HLSFQRWZNFEDTO-QWHCGFSZSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099711898 792126520 /nfs/dbraw/zinc/12/65/20/792126520.db2.gz HLSFQRWZNFEDTO-STQMWFEESA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099711898 792126517 /nfs/dbraw/zinc/12/65/17/792126517.db2.gz HLSFQRWZNFEDTO-STQMWFEESA-N 1 2 340.424 -1.244 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001099711975 792127172 /nfs/dbraw/zinc/12/71/72/792127172.db2.gz ILNPNIYYVWEYOI-KBPBESRZSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001099711975 792127170 /nfs/dbraw/zinc/12/71/70/792127170.db2.gz ILNPNIYYVWEYOI-KBPBESRZSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001099711976 792126051 /nfs/dbraw/zinc/12/60/51/792126051.db2.gz ILNPNIYYVWEYOI-KGLIPLIRSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001099711976 792126043 /nfs/dbraw/zinc/12/60/43/792126043.db2.gz ILNPNIYYVWEYOI-KGLIPLIRSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099711977 792127086 /nfs/dbraw/zinc/12/70/86/792127086.db2.gz ILNPNIYYVWEYOI-UONOGXRCSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099711977 792127082 /nfs/dbraw/zinc/12/70/82/792127082.db2.gz ILNPNIYYVWEYOI-UONOGXRCSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099711978 792126940 /nfs/dbraw/zinc/12/69/40/792126940.db2.gz ILNPNIYYVWEYOI-ZIAGYGMSSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099711978 792126936 /nfs/dbraw/zinc/12/69/36/792126936.db2.gz ILNPNIYYVWEYOI-ZIAGYGMSSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099712352 792127118 /nfs/dbraw/zinc/12/71/18/792127118.db2.gz NOIDCXJXYZHSSJ-CHWSQXEVSA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099712352 792127116 /nfs/dbraw/zinc/12/71/16/792127116.db2.gz NOIDCXJXYZHSSJ-CHWSQXEVSA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099712355 792126994 /nfs/dbraw/zinc/12/69/94/792126994.db2.gz NOIDCXJXYZHSSJ-OLZOCXBDSA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099712355 792126990 /nfs/dbraw/zinc/12/69/90/792126990.db2.gz NOIDCXJXYZHSSJ-OLZOCXBDSA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099712357 792126758 /nfs/dbraw/zinc/12/67/58/792126758.db2.gz NOIDCXJXYZHSSJ-QWHCGFSZSA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@H](O)C1 ZINC001099712357 792126753 /nfs/dbraw/zinc/12/67/53/792126753.db2.gz NOIDCXJXYZHSSJ-QWHCGFSZSA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099712358 792126782 /nfs/dbraw/zinc/12/67/82/792126782.db2.gz NOIDCXJXYZHSSJ-STQMWFEESA-N 1 2 338.408 -1.797 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001099712358 792126777 /nfs/dbraw/zinc/12/67/77/792126777.db2.gz NOIDCXJXYZHSSJ-STQMWFEESA-N 1 2 338.408 -1.797 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099712943 792126985 /nfs/dbraw/zinc/12/69/85/792126985.db2.gz RRARMQFREVAGHK-NEPJUHHUSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099712943 792126982 /nfs/dbraw/zinc/12/69/82/792126982.db2.gz RRARMQFREVAGHK-NEPJUHHUSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099712944 792126771 /nfs/dbraw/zinc/12/67/71/792126771.db2.gz RRARMQFREVAGHK-NWDGAFQWSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099712944 792126767 /nfs/dbraw/zinc/12/67/67/792126767.db2.gz RRARMQFREVAGHK-NWDGAFQWSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099712945 792127125 /nfs/dbraw/zinc/12/71/25/792127125.db2.gz RRARMQFREVAGHK-RYUDHWBXSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099712945 792127123 /nfs/dbraw/zinc/12/71/23/792127123.db2.gz RRARMQFREVAGHK-RYUDHWBXSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099712946 792126539 /nfs/dbraw/zinc/12/65/39/792126539.db2.gz RRARMQFREVAGHK-VXGBXAGGSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099712946 792126536 /nfs/dbraw/zinc/12/65/36/792126536.db2.gz RRARMQFREVAGHK-VXGBXAGGSA-N 1 2 339.396 -1.906 20 30 EAEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001099726429 792129833 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335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001099736615 792131562 /nfs/dbraw/zinc/13/15/62/792131562.db2.gz ZGIZNEXJKDMCOF-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001099736615 792131558 /nfs/dbraw/zinc/13/15/58/792131558.db2.gz ZGIZNEXJKDMCOF-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099736616 792132488 /nfs/dbraw/zinc/13/24/88/792132488.db2.gz ZGIZNEXJKDMCOF-UONOGXRCSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099736616 792132479 /nfs/dbraw/zinc/13/24/79/792132479.db2.gz ZGIZNEXJKDMCOF-UONOGXRCSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099736617 792131519 /nfs/dbraw/zinc/13/15/19/792131519.db2.gz ZGIZNEXJKDMCOF-ZIAGYGMSSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001099736617 792131515 /nfs/dbraw/zinc/13/15/15/792131515.db2.gz ZGIZNEXJKDMCOF-ZIAGYGMSSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 ZINC001099737746 786317359 /nfs/dbraw/zinc/31/73/59/786317359.db2.gz DBXMQZBVEWYNRY-NEPJUHHUSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 ZINC001099737746 786317351 /nfs/dbraw/zinc/31/73/51/786317351.db2.gz DBXMQZBVEWYNRY-NEPJUHHUSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CC)[C@H](O)C1 ZINC001099737747 786316959 /nfs/dbraw/zinc/31/69/59/786316959.db2.gz DBXMQZBVEWYNRY-NWDGAFQWSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CC)[C@H](O)C1 ZINC001099737747 786316953 /nfs/dbraw/zinc/31/69/53/786316953.db2.gz DBXMQZBVEWYNRY-NWDGAFQWSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 ZINC001099737748 786317281 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792134536 /nfs/dbraw/zinc/13/45/36/792134536.db2.gz FIGFBJHBPQBFGK-WDEREUQCSA-N 1 2 325.369 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738038 792134095 /nfs/dbraw/zinc/13/40/95/792134095.db2.gz HUKYBXMSODUHPK-NXEZZACHSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738038 792134089 /nfs/dbraw/zinc/13/40/89/792134089.db2.gz HUKYBXMSODUHPK-NXEZZACHSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738039 792133843 /nfs/dbraw/zinc/13/38/43/792133843.db2.gz HUKYBXMSODUHPK-UWVGGRQHSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738039 792133837 /nfs/dbraw/zinc/13/38/37/792133837.db2.gz HUKYBXMSODUHPK-UWVGGRQHSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738040 792133507 /nfs/dbraw/zinc/13/35/07/792133507.db2.gz HUKYBXMSODUHPK-VHSXEESVSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738040 792133498 /nfs/dbraw/zinc/13/34/98/792133498.db2.gz HUKYBXMSODUHPK-VHSXEESVSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738041 792134037 /nfs/dbraw/zinc/13/40/37/792134037.db2.gz HUKYBXMSODUHPK-ZJUUUORDSA-N 1 2 333.352 -2.136 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738041 792134032 /nfs/dbraw/zinc/13/40/32/792134032.db2.gz HUKYBXMSODUHPK-ZJUUUORDSA-N 1 2 333.352 -2.136 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738310 792133169 /nfs/dbraw/zinc/13/31/69/792133169.db2.gz LTYOWZKSMJGVEQ-GHMZBOCLSA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738310 792133165 /nfs/dbraw/zinc/13/31/65/792133165.db2.gz LTYOWZKSMJGVEQ-GHMZBOCLSA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738311 792134326 /nfs/dbraw/zinc/13/43/26/792134326.db2.gz LTYOWZKSMJGVEQ-MNOVXSKESA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738311 792134324 /nfs/dbraw/zinc/13/43/24/792134324.db2.gz LTYOWZKSMJGVEQ-MNOVXSKESA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738312 792133633 /nfs/dbraw/zinc/13/36/33/792133633.db2.gz LTYOWZKSMJGVEQ-QWRGUYRKSA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099738312 792133630 /nfs/dbraw/zinc/13/36/30/792133630.db2.gz LTYOWZKSMJGVEQ-QWRGUYRKSA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738313 792134439 /nfs/dbraw/zinc/13/44/39/792134439.db2.gz LTYOWZKSMJGVEQ-WDEREUQCSA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099738313 792134436 /nfs/dbraw/zinc/13/44/36/792134436.db2.gz LTYOWZKSMJGVEQ-WDEREUQCSA-N 1 2 334.380 -1.474 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001099738606 792133974 /nfs/dbraw/zinc/13/39/74/792133974.db2.gz QLYDMTLACFFVKA-CHWSQXEVSA-N 1 2 349.453 -1.320 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001099738606 792133970 /nfs/dbraw/zinc/13/39/70/792133970.db2.gz QLYDMTLACFFVKA-CHWSQXEVSA-N 1 2 349.453 -1.320 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001099738607 792133254 /nfs/dbraw/zinc/13/32/54/792133254.db2.gz QLYDMTLACFFVKA-OLZOCXBDSA-N 1 2 349.453 -1.320 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001099738607 792133251 /nfs/dbraw/zinc/13/32/51/792133251.db2.gz QLYDMTLACFFVKA-OLZOCXBDSA-N 1 2 349.453 -1.320 20 30 EAEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001099738608 786315567 /nfs/dbraw/zinc/31/55/67/786315567.db2.gz QLYDMTLACFFVKA-QWHCGFSZSA-N 1 2 349.453 -1.320 20 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ZINC001099741586 792136016 /nfs/dbraw/zinc/13/60/16/792136016.db2.gz VYLRIYJNONNRTL-GHMZBOCLSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099741586 792136012 /nfs/dbraw/zinc/13/60/12/792136012.db2.gz VYLRIYJNONNRTL-GHMZBOCLSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099741587 792136112 /nfs/dbraw/zinc/13/61/12/792136112.db2.gz VYLRIYJNONNRTL-MNOVXSKESA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099741587 792136111 /nfs/dbraw/zinc/13/61/11/792136111.db2.gz VYLRIYJNONNRTL-MNOVXSKESA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099741588 792136042 /nfs/dbraw/zinc/13/60/42/792136042.db2.gz VYLRIYJNONNRTL-QWRGUYRKSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@@H]1O ZINC001099741588 792136036 /nfs/dbraw/zinc/13/60/36/792136036.db2.gz VYLRIYJNONNRTL-QWRGUYRKSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099741589 792135297 /nfs/dbraw/zinc/13/52/97/792135297.db2.gz VYLRIYJNONNRTL-WDEREUQCSA-N 1 2 328.369 -1.804 20 30 EAEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]1O ZINC001099741589 792135291 /nfs/dbraw/zinc/13/52/91/792135291.db2.gz VYLRIYJNONNRTL-WDEREUQCSA-N 1 2 328.369 -1.804 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOC)[C@H](O)C1 ZINC001099742898 792136095 /nfs/dbraw/zinc/13/60/95/792136095.db2.gz BFMKXCWVTIFHJU-CHWSQXEVSA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOC)[C@H](O)C1 ZINC001099742898 792136094 /nfs/dbraw/zinc/13/60/94/792136094.db2.gz BFMKXCWVTIFHJU-CHWSQXEVSA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001099742899 792138060 /nfs/dbraw/zinc/13/80/60/792138060.db2.gz BFMKXCWVTIFHJU-OLZOCXBDSA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001099742899 792138055 /nfs/dbraw/zinc/13/80/55/792138055.db2.gz BFMKXCWVTIFHJU-OLZOCXBDSA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOC)[C@H](O)C1 ZINC001099742900 792138124 /nfs/dbraw/zinc/13/81/24/792138124.db2.gz BFMKXCWVTIFHJU-QWHCGFSZSA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOC)[C@H](O)C1 ZINC001099742900 792138119 /nfs/dbraw/zinc/13/81/19/792138119.db2.gz BFMKXCWVTIFHJU-QWHCGFSZSA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001099742901 792138296 /nfs/dbraw/zinc/13/82/96/792138296.db2.gz BFMKXCWVTIFHJU-STQMWFEESA-N 1 2 327.381 -2.050 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001099742901 792138292 /nfs/dbraw/zinc/13/82/92/792138292.db2.gz BFMKXCWVTIFHJU-STQMWFEESA-N 1 2 327.381 -2.050 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)no1 ZINC001099743198 792138464 /nfs/dbraw/zinc/13/84/64/792138464.db2.gz GAXXVGCBIVQXGK-CHWSQXEVSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)no1 ZINC001099743198 792138457 /nfs/dbraw/zinc/13/84/57/792138457.db2.gz GAXXVGCBIVQXGK-CHWSQXEVSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)no1 ZINC001099743199 792138015 /nfs/dbraw/zinc/13/80/15/792138015.db2.gz GAXXVGCBIVQXGK-OLZOCXBDSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)no1 ZINC001099743199 792138013 /nfs/dbraw/zinc/13/80/13/792138013.db2.gz GAXXVGCBIVQXGK-OLZOCXBDSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)no1 ZINC001099743200 792138411 /nfs/dbraw/zinc/13/84/11/792138411.db2.gz GAXXVGCBIVQXGK-QWHCGFSZSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)no1 ZINC001099743200 792138403 /nfs/dbraw/zinc/13/84/03/792138403.db2.gz GAXXVGCBIVQXGK-QWHCGFSZSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)no1 ZINC001099743201 792137935 /nfs/dbraw/zinc/13/79/35/792137935.db2.gz GAXXVGCBIVQXGK-STQMWFEESA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)no1 ZINC001099743201 792137930 /nfs/dbraw/zinc/13/79/30/792137930.db2.gz GAXXVGCBIVQXGK-STQMWFEESA-N 1 2 335.364 -1.283 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 ZINC001099743510 792137337 /nfs/dbraw/zinc/13/73/37/792137337.db2.gz KYDJUCCOZYZGQY-KBPBESRZSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 ZINC001099743510 792137332 /nfs/dbraw/zinc/13/73/32/792137332.db2.gz KYDJUCCOZYZGQY-KBPBESRZSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 ZINC001099743511 792137898 /nfs/dbraw/zinc/13/78/98/792137898.db2.gz KYDJUCCOZYZGQY-KGLIPLIRSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 ZINC001099743511 792137894 /nfs/dbraw/zinc/13/78/94/792137894.db2.gz KYDJUCCOZYZGQY-KGLIPLIRSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)[C@H](O)C1 ZINC001099743512 792137631 /nfs/dbraw/zinc/13/76/31/792137631.db2.gz KYDJUCCOZYZGQY-UONOGXRCSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)[C@H](O)C1 ZINC001099743512 792137628 /nfs/dbraw/zinc/13/76/28/792137628.db2.gz KYDJUCCOZYZGQY-UONOGXRCSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)on2)[C@H](O)C1 ZINC001099743513 792137802 /nfs/dbraw/zinc/13/78/02/792137802.db2.gz KYDJUCCOZYZGQY-ZIAGYGMSSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)on2)[C@H](O)C1 ZINC001099743513 792137798 /nfs/dbraw/zinc/13/77/98/792137798.db2.gz KYDJUCCOZYZGQY-ZIAGYGMSSA-N 1 2 334.376 -1.174 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099746034 792139623 /nfs/dbraw/zinc/13/96/23/792139623.db2.gz BMRGSIKTWSBPBF-CHWSQXEVSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099746034 792139617 /nfs/dbraw/zinc/13/96/17/792139617.db2.gz BMRGSIKTWSBPBF-CHWSQXEVSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099746035 792140036 /nfs/dbraw/zinc/14/00/36/792140036.db2.gz BMRGSIKTWSBPBF-OLZOCXBDSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099746035 792140031 /nfs/dbraw/zinc/14/00/31/792140031.db2.gz BMRGSIKTWSBPBF-OLZOCXBDSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099746036 792140321 /nfs/dbraw/zinc/14/03/21/792140321.db2.gz BMRGSIKTWSBPBF-QWHCGFSZSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099746036 792140313 /nfs/dbraw/zinc/14/03/13/792140313.db2.gz BMRGSIKTWSBPBF-QWHCGFSZSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099746037 792140156 /nfs/dbraw/zinc/14/01/56/792140156.db2.gz BMRGSIKTWSBPBF-STQMWFEESA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099746037 792140148 /nfs/dbraw/zinc/14/01/48/792140148.db2.gz BMRGSIKTWSBPBF-STQMWFEESA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 ZINC001099747438 792141158 /nfs/dbraw/zinc/14/11/58/792141158.db2.gz YOINPWVWVQPJSV-KBPBESRZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 ZINC001099747438 792141152 /nfs/dbraw/zinc/14/11/52/792141152.db2.gz YOINPWVWVQPJSV-KBPBESRZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 ZINC001099747439 792142951 /nfs/dbraw/zinc/14/29/51/792142951.db2.gz YOINPWVWVQPJSV-KGLIPLIRSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 ZINC001099747439 792142948 /nfs/dbraw/zinc/14/29/48/792142948.db2.gz YOINPWVWVQPJSV-KGLIPLIRSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC001099747440 792142141 /nfs/dbraw/zinc/14/21/41/792142141.db2.gz YOINPWVWVQPJSV-UONOGXRCSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC001099747440 792142137 /nfs/dbraw/zinc/14/21/37/792142137.db2.gz YOINPWVWVQPJSV-UONOGXRCSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC001099747441 792141662 /nfs/dbraw/zinc/14/16/62/792141662.db2.gz YOINPWVWVQPJSV-ZIAGYGMSSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC001099747441 792141657 /nfs/dbraw/zinc/14/16/57/792141657.db2.gz YOINPWVWVQPJSV-ZIAGYGMSSA-N 1 2 333.392 -1.357 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099749162 792141750 /nfs/dbraw/zinc/14/17/50/792141750.db2.gz HAKIAFCBEOPATE-NEPJUHHUSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099749162 792141742 /nfs/dbraw/zinc/14/17/42/792141742.db2.gz HAKIAFCBEOPATE-NEPJUHHUSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099749165 792142324 /nfs/dbraw/zinc/14/23/24/792142324.db2.gz HAKIAFCBEOPATE-NWDGAFQWSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099749165 792142314 /nfs/dbraw/zinc/14/23/14/792142314.db2.gz HAKIAFCBEOPATE-NWDGAFQWSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099749167 792142912 /nfs/dbraw/zinc/14/29/12/792142912.db2.gz HAKIAFCBEOPATE-RYUDHWBXSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099749167 792142906 /nfs/dbraw/zinc/14/29/06/792142906.db2.gz HAKIAFCBEOPATE-RYUDHWBXSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099749169 792141014 /nfs/dbraw/zinc/14/10/14/792141014.db2.gz HAKIAFCBEOPATE-VXGBXAGGSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099749169 792141011 /nfs/dbraw/zinc/14/10/11/792141011.db2.gz HAKIAFCBEOPATE-VXGBXAGGSA-N 1 2 336.396 -1.409 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099749970 792142624 /nfs/dbraw/zinc/14/26/24/792142624.db2.gz MHUSPDDIVFBLFD-GHMZBOCLSA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099749970 792142614 /nfs/dbraw/zinc/14/26/14/792142614.db2.gz MHUSPDDIVFBLFD-GHMZBOCLSA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099749971 792142156 /nfs/dbraw/zinc/14/21/56/792142156.db2.gz MHUSPDDIVFBLFD-MNOVXSKESA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099749971 792142152 /nfs/dbraw/zinc/14/21/52/792142152.db2.gz MHUSPDDIVFBLFD-MNOVXSKESA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099749972 792142198 /nfs/dbraw/zinc/14/21/98/792142198.db2.gz MHUSPDDIVFBLFD-QWRGUYRKSA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001099749972 792142194 /nfs/dbraw/zinc/14/21/94/792142194.db2.gz MHUSPDDIVFBLFD-QWRGUYRKSA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099749973 792141702 /nfs/dbraw/zinc/14/17/02/792141702.db2.gz MHUSPDDIVFBLFD-WDEREUQCSA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001099749973 792141694 /nfs/dbraw/zinc/14/16/94/792141694.db2.gz MHUSPDDIVFBLFD-WDEREUQCSA-N 1 2 332.364 -2.027 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099750654 792141394 /nfs/dbraw/zinc/14/13/94/792141394.db2.gz RIRVUCPYAWYLBQ-NEPJUHHUSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099750654 792141384 /nfs/dbraw/zinc/14/13/84/792141384.db2.gz RIRVUCPYAWYLBQ-NEPJUHHUSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099750655 792142966 /nfs/dbraw/zinc/14/29/66/792142966.db2.gz RIRVUCPYAWYLBQ-NWDGAFQWSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099750655 792142961 /nfs/dbraw/zinc/14/29/61/792142961.db2.gz RIRVUCPYAWYLBQ-NWDGAFQWSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099750656 792142008 /nfs/dbraw/zinc/14/20/08/792142008.db2.gz RIRVUCPYAWYLBQ-RYUDHWBXSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001099750656 792142002 /nfs/dbraw/zinc/14/20/02/792142002.db2.gz RIRVUCPYAWYLBQ-RYUDHWBXSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099750657 792141491 /nfs/dbraw/zinc/14/14/91/792141491.db2.gz RIRVUCPYAWYLBQ-VXGBXAGGSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC001099750657 792141482 /nfs/dbraw/zinc/14/14/82/792141482.db2.gz RIRVUCPYAWYLBQ-VXGBXAGGSA-N 1 2 334.380 -1.962 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099755204 792145184 /nfs/dbraw/zinc/14/51/84/792145184.db2.gz LWCPPDYQSABDCU-CMPLNLGQSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099755204 792145179 /nfs/dbraw/zinc/14/51/79/792145179.db2.gz LWCPPDYQSABDCU-CMPLNLGQSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099755223 792144570 /nfs/dbraw/zinc/14/45/70/792144570.db2.gz LWCPPDYQSABDCU-JQWIXIFHSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099755223 792144562 /nfs/dbraw/zinc/14/45/62/792144562.db2.gz LWCPPDYQSABDCU-JQWIXIFHSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099755225 792143798 /nfs/dbraw/zinc/14/37/98/792143798.db2.gz LWCPPDYQSABDCU-PWSUYJOCSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099755225 792143785 /nfs/dbraw/zinc/14/37/85/792143785.db2.gz LWCPPDYQSABDCU-PWSUYJOCSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099755227 792144736 /nfs/dbraw/zinc/14/47/36/792144736.db2.gz LWCPPDYQSABDCU-ZYHUDNBSSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099755227 792144728 /nfs/dbraw/zinc/14/47/28/792144728.db2.gz LWCPPDYQSABDCU-ZYHUDNBSSA-N 1 2 333.348 -1.408 20 30 EAEDLO CCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099755508 792145111 /nfs/dbraw/zinc/14/51/11/792145111.db2.gz NSEFMVPFOJTZOQ-CHWSQXEVSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099755508 792145103 /nfs/dbraw/zinc/14/51/03/792145103.db2.gz NSEFMVPFOJTZOQ-CHWSQXEVSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099755509 786319226 /nfs/dbraw/zinc/31/92/26/786319226.db2.gz NSEFMVPFOJTZOQ-OLZOCXBDSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099755509 786319223 /nfs/dbraw/zinc/31/92/23/786319223.db2.gz NSEFMVPFOJTZOQ-OLZOCXBDSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099755510 786319278 /nfs/dbraw/zinc/31/92/78/786319278.db2.gz NSEFMVPFOJTZOQ-QWHCGFSZSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099755510 786319273 /nfs/dbraw/zinc/31/92/73/786319273.db2.gz NSEFMVPFOJTZOQ-QWHCGFSZSA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099755511 786320093 /nfs/dbraw/zinc/32/00/93/786320093.db2.gz NSEFMVPFOJTZOQ-STQMWFEESA-N 1 2 326.397 -1.006 20 30 EAEDLO CCCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099755511 786320083 /nfs/dbraw/zinc/32/00/83/786320083.db2.gz NSEFMVPFOJTZOQ-STQMWFEESA-N 1 2 326.397 -1.006 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1C ZINC001099755564 792144525 /nfs/dbraw/zinc/14/45/25/792144525.db2.gz OLYCWSLVJYGEOX-NEPJUHHUSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1C ZINC001099755564 792144517 /nfs/dbraw/zinc/14/45/17/792144517.db2.gz OLYCWSLVJYGEOX-NEPJUHHUSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1C ZINC001099755565 792144855 /nfs/dbraw/zinc/14/48/55/792144855.db2.gz OLYCWSLVJYGEOX-NWDGAFQWSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1C ZINC001099755565 792144851 /nfs/dbraw/zinc/14/48/51/792144851.db2.gz OLYCWSLVJYGEOX-NWDGAFQWSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1C ZINC001099755566 792145209 /nfs/dbraw/zinc/14/52/09/792145209.db2.gz OLYCWSLVJYGEOX-RYUDHWBXSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1C ZINC001099755566 792145202 /nfs/dbraw/zinc/14/52/02/792145202.db2.gz OLYCWSLVJYGEOX-RYUDHWBXSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1C ZINC001099755567 792144683 /nfs/dbraw/zinc/14/46/83/792144683.db2.gz OLYCWSLVJYGEOX-VXGBXAGGSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1C ZINC001099755567 792144676 /nfs/dbraw/zinc/14/46/76/792144676.db2.gz OLYCWSLVJYGEOX-VXGBXAGGSA-N 1 2 334.380 -1.169 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099756284 792144626 /nfs/dbraw/zinc/14/46/26/792144626.db2.gz ZUUBGFBHQDNHQZ-AAEUAGOBSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099756284 792144618 /nfs/dbraw/zinc/14/46/18/792144618.db2.gz ZUUBGFBHQDNHQZ-AAEUAGOBSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099756285 792144386 /nfs/dbraw/zinc/14/43/86/792144386.db2.gz ZUUBGFBHQDNHQZ-DGCLKSJQSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099756285 792144376 /nfs/dbraw/zinc/14/43/76/792144376.db2.gz ZUUBGFBHQDNHQZ-DGCLKSJQSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099756286 792143655 /nfs/dbraw/zinc/14/36/55/792143655.db2.gz ZUUBGFBHQDNHQZ-WCQYABFASA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC001099756286 792143644 /nfs/dbraw/zinc/14/36/44/792143644.db2.gz ZUUBGFBHQDNHQZ-WCQYABFASA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099756287 792144307 /nfs/dbraw/zinc/14/43/07/792144307.db2.gz ZUUBGFBHQDNHQZ-YPMHNXCESA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001099756287 792144301 /nfs/dbraw/zinc/14/43/01/792144301.db2.gz ZUUBGFBHQDNHQZ-YPMHNXCESA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099757471 792145132 /nfs/dbraw/zinc/14/51/32/792145132.db2.gz GAELTXQTVCEPOZ-GXTWGEPZSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099757471 792145127 /nfs/dbraw/zinc/14/51/27/792145127.db2.gz GAELTXQTVCEPOZ-GXTWGEPZSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099757472 792145148 /nfs/dbraw/zinc/14/51/48/792145148.db2.gz GAELTXQTVCEPOZ-JSGCOSHPSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099757472 792145145 /nfs/dbraw/zinc/14/51/45/792145145.db2.gz GAELTXQTVCEPOZ-JSGCOSHPSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099757473 792144134 /nfs/dbraw/zinc/14/41/34/792144134.db2.gz GAELTXQTVCEPOZ-OCCSQVGLSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099757473 792144133 /nfs/dbraw/zinc/14/41/33/792144133.db2.gz GAELTXQTVCEPOZ-OCCSQVGLSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099757474 792144596 /nfs/dbraw/zinc/14/45/96/792144596.db2.gz GAELTXQTVCEPOZ-TZMCWYRMSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099757474 792144590 /nfs/dbraw/zinc/14/45/90/792144590.db2.gz GAELTXQTVCEPOZ-TZMCWYRMSA-N 1 2 329.360 -1.199 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757934 792144230 /nfs/dbraw/zinc/14/42/30/792144230.db2.gz LXEMTTIHJJYHHK-NXEZZACHSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757934 792144227 /nfs/dbraw/zinc/14/42/27/792144227.db2.gz LXEMTTIHJJYHHK-NXEZZACHSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757935 792145052 /nfs/dbraw/zinc/14/50/52/792145052.db2.gz LXEMTTIHJJYHHK-UWVGGRQHSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757935 792145046 /nfs/dbraw/zinc/14/50/46/792145046.db2.gz LXEMTTIHJJYHHK-UWVGGRQHSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757936 792145298 /nfs/dbraw/zinc/14/52/98/792145298.db2.gz LXEMTTIHJJYHHK-VHSXEESVSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757936 792145296 /nfs/dbraw/zinc/14/52/96/792145296.db2.gz LXEMTTIHJJYHHK-VHSXEESVSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757937 792144114 /nfs/dbraw/zinc/14/41/14/792144114.db2.gz LXEMTTIHJJYHHK-ZJUUUORDSA-N 1 2 341.368 -2.575 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757937 792144111 /nfs/dbraw/zinc/14/41/11/792144111.db2.gz LXEMTTIHJJYHHK-ZJUUUORDSA-N 1 2 341.368 -2.575 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758442 792146245 /nfs/dbraw/zinc/14/62/45/792146245.db2.gz SRTJRGPZWFXKSK-CMPLNLGQSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758442 792146240 /nfs/dbraw/zinc/14/62/40/792146240.db2.gz SRTJRGPZWFXKSK-CMPLNLGQSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758443 792146282 /nfs/dbraw/zinc/14/62/82/792146282.db2.gz SRTJRGPZWFXKSK-JQWIXIFHSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758443 792146277 /nfs/dbraw/zinc/14/62/77/792146277.db2.gz SRTJRGPZWFXKSK-JQWIXIFHSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758444 792146729 /nfs/dbraw/zinc/14/67/29/792146729.db2.gz SRTJRGPZWFXKSK-PWSUYJOCSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758444 792146725 /nfs/dbraw/zinc/14/67/25/792146725.db2.gz SRTJRGPZWFXKSK-PWSUYJOCSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758445 792146830 /nfs/dbraw/zinc/14/68/30/792146830.db2.gz SRTJRGPZWFXKSK-ZYHUDNBSSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758445 792146825 /nfs/dbraw/zinc/14/68/25/792146825.db2.gz SRTJRGPZWFXKSK-ZYHUDNBSSA-N 1 2 348.363 -1.493 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758446 792147161 /nfs/dbraw/zinc/14/71/61/792147161.db2.gz SRXAATWWNWJKTD-AAEUAGOBSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758446 792147152 /nfs/dbraw/zinc/14/71/52/792147152.db2.gz SRXAATWWNWJKTD-AAEUAGOBSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758447 792146557 /nfs/dbraw/zinc/14/65/57/792146557.db2.gz SRXAATWWNWJKTD-DGCLKSJQSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758447 792146551 /nfs/dbraw/zinc/14/65/51/792146551.db2.gz SRXAATWWNWJKTD-DGCLKSJQSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758448 792146352 /nfs/dbraw/zinc/14/63/52/792146352.db2.gz SRXAATWWNWJKTD-WCQYABFASA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 ZINC001099758448 792146350 /nfs/dbraw/zinc/14/63/50/792146350.db2.gz SRXAATWWNWJKTD-WCQYABFASA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758449 792146788 /nfs/dbraw/zinc/14/67/88/792146788.db2.gz SRXAATWWNWJKTD-YPMHNXCESA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001099758449 792146783 /nfs/dbraw/zinc/14/67/83/792146783.db2.gz SRXAATWWNWJKTD-YPMHNXCESA-N 1 2 330.348 -1.309 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099758817 792146461 /nfs/dbraw/zinc/14/64/61/792146461.db2.gz YNICMTYEVGHWJM-GXSJLCMTSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099758817 792146459 /nfs/dbraw/zinc/14/64/59/792146459.db2.gz YNICMTYEVGHWJM-GXSJLCMTSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099758818 792146996 /nfs/dbraw/zinc/14/69/96/792146996.db2.gz YNICMTYEVGHWJM-KOLCDFICSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099758818 792146992 /nfs/dbraw/zinc/14/69/92/792146992.db2.gz YNICMTYEVGHWJM-KOLCDFICSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099758819 792147102 /nfs/dbraw/zinc/14/71/02/792147102.db2.gz YNICMTYEVGHWJM-MWLCHTKSSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099758819 792147095 /nfs/dbraw/zinc/14/70/95/792147095.db2.gz YNICMTYEVGHWJM-MWLCHTKSSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099758820 792147240 /nfs/dbraw/zinc/14/72/40/792147240.db2.gz YNICMTYEVGHWJM-ONGXEEELSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099758820 792147236 /nfs/dbraw/zinc/14/72/36/792147236.db2.gz YNICMTYEVGHWJM-ONGXEEELSA-N 1 2 334.336 -1.754 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099760361 792148550 /nfs/dbraw/zinc/14/85/50/792148550.db2.gz IBMGNWONUNBXDX-NEPJUHHUSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099760361 792148544 /nfs/dbraw/zinc/14/85/44/792148544.db2.gz IBMGNWONUNBXDX-NEPJUHHUSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099760362 792148841 /nfs/dbraw/zinc/14/88/41/792148841.db2.gz IBMGNWONUNBXDX-NWDGAFQWSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099760362 792148837 /nfs/dbraw/zinc/14/88/37/792148837.db2.gz IBMGNWONUNBXDX-NWDGAFQWSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099760363 792149433 /nfs/dbraw/zinc/14/94/33/792149433.db2.gz IBMGNWONUNBXDX-RYUDHWBXSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099760363 792149427 /nfs/dbraw/zinc/14/94/27/792149427.db2.gz IBMGNWONUNBXDX-RYUDHWBXSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099760364 792148106 /nfs/dbraw/zinc/14/81/06/792148106.db2.gz IBMGNWONUNBXDX-VXGBXAGGSA-N 1 2 336.396 -1.409 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099760364 792148096 /nfs/dbraw/zinc/14/80/96/792148096.db2.gz IBMGNWONUNBXDX-VXGBXAGGSA-N 1 2 336.396 -1.409 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001099762181 792151644 /nfs/dbraw/zinc/15/16/44/792151644.db2.gz ZVWCZYJNNFWZSR-KBPBESRZSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001099762181 792151638 /nfs/dbraw/zinc/15/16/38/792151638.db2.gz ZVWCZYJNNFWZSR-KBPBESRZSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](O)C1 ZINC001099762181 792151631 /nfs/dbraw/zinc/15/16/31/792151631.db2.gz ZVWCZYJNNFWZSR-KBPBESRZSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](O)C1 ZINC001099762181 792151626 /nfs/dbraw/zinc/15/16/26/792151626.db2.gz ZVWCZYJNNFWZSR-KBPBESRZSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001099762182 792151234 /nfs/dbraw/zinc/15/12/34/792151234.db2.gz ZVWCZYJNNFWZSR-KGLIPLIRSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001099762182 792151231 /nfs/dbraw/zinc/15/12/31/792151231.db2.gz ZVWCZYJNNFWZSR-KGLIPLIRSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](O)C1 ZINC001099762182 792151224 /nfs/dbraw/zinc/15/12/24/792151224.db2.gz ZVWCZYJNNFWZSR-KGLIPLIRSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](O)C1 ZINC001099762182 792151221 /nfs/dbraw/zinc/15/12/21/792151221.db2.gz ZVWCZYJNNFWZSR-KGLIPLIRSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001099762183 792151294 /nfs/dbraw/zinc/15/12/94/792151294.db2.gz ZVWCZYJNNFWZSR-UONOGXRCSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001099762183 792151288 /nfs/dbraw/zinc/15/12/88/792151288.db2.gz ZVWCZYJNNFWZSR-UONOGXRCSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001099762183 792151281 /nfs/dbraw/zinc/15/12/81/792151281.db2.gz ZVWCZYJNNFWZSR-UONOGXRCSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001099762183 792151277 /nfs/dbraw/zinc/15/12/77/792151277.db2.gz ZVWCZYJNNFWZSR-UONOGXRCSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001099762184 792150140 /nfs/dbraw/zinc/15/01/40/792150140.db2.gz ZVWCZYJNNFWZSR-ZIAGYGMSSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001099762184 792150134 /nfs/dbraw/zinc/15/01/34/792150134.db2.gz ZVWCZYJNNFWZSR-ZIAGYGMSSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001099762184 792150130 /nfs/dbraw/zinc/15/01/30/792150130.db2.gz ZVWCZYJNNFWZSR-ZIAGYGMSSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001099762184 792150128 /nfs/dbraw/zinc/15/01/28/792150128.db2.gz ZVWCZYJNNFWZSR-ZIAGYGMSSA-N 1 2 333.392 -1.439 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099763177 792151336 /nfs/dbraw/zinc/15/13/36/792151336.db2.gz FLTIRKAZFUSTNQ-NEPJUHHUSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099763177 792151332 /nfs/dbraw/zinc/15/13/32/792151332.db2.gz FLTIRKAZFUSTNQ-NEPJUHHUSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099763186 792150376 /nfs/dbraw/zinc/15/03/76/792150376.db2.gz FLTIRKAZFUSTNQ-NWDGAFQWSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099763186 792150372 /nfs/dbraw/zinc/15/03/72/792150372.db2.gz FLTIRKAZFUSTNQ-NWDGAFQWSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099763189 792151183 /nfs/dbraw/zinc/15/11/83/792151183.db2.gz FLTIRKAZFUSTNQ-RYUDHWBXSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001099763189 792151177 /nfs/dbraw/zinc/15/11/77/792151177.db2.gz FLTIRKAZFUSTNQ-RYUDHWBXSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099763192 792150812 /nfs/dbraw/zinc/15/08/12/792150812.db2.gz FLTIRKAZFUSTNQ-VXGBXAGGSA-N 1 2 334.380 -1.962 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nnc[nH]2)[C@H](O)C1 ZINC001099763192 792150807 /nfs/dbraw/zinc/15/08/07/792150807.db2.gz FLTIRKAZFUSTNQ-VXGBXAGGSA-N 1 2 334.380 -1.962 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099765786 792151582 /nfs/dbraw/zinc/15/15/82/792151582.db2.gz BTUUIEDDIVPZGX-NEPJUHHUSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099765786 792151577 /nfs/dbraw/zinc/15/15/77/792151577.db2.gz BTUUIEDDIVPZGX-NEPJUHHUSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099765787 792150576 /nfs/dbraw/zinc/15/05/76/792150576.db2.gz BTUUIEDDIVPZGX-NWDGAFQWSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099765787 792150570 /nfs/dbraw/zinc/15/05/70/792150570.db2.gz BTUUIEDDIVPZGX-NWDGAFQWSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099765788 792150290 /nfs/dbraw/zinc/15/02/90/792150290.db2.gz BTUUIEDDIVPZGX-RYUDHWBXSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099765788 792150283 /nfs/dbraw/zinc/15/02/83/792150283.db2.gz BTUUIEDDIVPZGX-RYUDHWBXSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099765789 792151203 /nfs/dbraw/zinc/15/12/03/792151203.db2.gz BTUUIEDDIVPZGX-VXGBXAGGSA-N 1 2 342.396 -1.285 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099765789 792151199 /nfs/dbraw/zinc/15/11/99/792151199.db2.gz BTUUIEDDIVPZGX-VXGBXAGGSA-N 1 2 342.396 -1.285 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766354 792153465 /nfs/dbraw/zinc/15/34/65/792153465.db2.gz JPOVOBHMQJRWBD-CHWSQXEVSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766354 792153461 /nfs/dbraw/zinc/15/34/61/792153461.db2.gz JPOVOBHMQJRWBD-CHWSQXEVSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766355 792154406 /nfs/dbraw/zinc/15/44/06/792154406.db2.gz JPOVOBHMQJRWBD-OLZOCXBDSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766355 792154396 /nfs/dbraw/zinc/15/43/96/792154396.db2.gz JPOVOBHMQJRWBD-OLZOCXBDSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766356 792154170 /nfs/dbraw/zinc/15/41/70/792154170.db2.gz JPOVOBHMQJRWBD-QWHCGFSZSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766356 792154162 /nfs/dbraw/zinc/15/41/62/792154162.db2.gz JPOVOBHMQJRWBD-QWHCGFSZSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766357 792154266 /nfs/dbraw/zinc/15/42/66/792154266.db2.gz JPOVOBHMQJRWBD-STQMWFEESA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766357 792154257 /nfs/dbraw/zinc/15/42/57/792154257.db2.gz JPOVOBHMQJRWBD-STQMWFEESA-N 1 2 332.360 -1.298 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766642 792153552 /nfs/dbraw/zinc/15/35/52/792153552.db2.gz NMGRUSQGZWSRQK-NEPJUHHUSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766642 792153549 /nfs/dbraw/zinc/15/35/49/792153549.db2.gz NMGRUSQGZWSRQK-NEPJUHHUSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766643 792154019 /nfs/dbraw/zinc/15/40/19/792154019.db2.gz NMGRUSQGZWSRQK-NWDGAFQWSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766643 792154010 /nfs/dbraw/zinc/15/40/10/792154010.db2.gz NMGRUSQGZWSRQK-NWDGAFQWSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766644 792152928 /nfs/dbraw/zinc/15/29/28/792152928.db2.gz NMGRUSQGZWSRQK-RYUDHWBXSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001099766644 792152915 /nfs/dbraw/zinc/15/29/15/792152915.db2.gz NMGRUSQGZWSRQK-RYUDHWBXSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766645 792152534 /nfs/dbraw/zinc/15/25/34/792152534.db2.gz NMGRUSQGZWSRQK-VXGBXAGGSA-N 1 2 333.348 -1.408 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC001099766645 792152522 /nfs/dbraw/zinc/15/25/22/792152522.db2.gz NMGRUSQGZWSRQK-VXGBXAGGSA-N 1 2 333.348 -1.408 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099772814 792153276 /nfs/dbraw/zinc/15/32/76/792153276.db2.gz OECCJEHURBQYHE-AAEUAGOBSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099772814 792153270 /nfs/dbraw/zinc/15/32/70/792153270.db2.gz OECCJEHURBQYHE-AAEUAGOBSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099772815 792153587 /nfs/dbraw/zinc/15/35/87/792153587.db2.gz OECCJEHURBQYHE-DGCLKSJQSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099772815 792153583 /nfs/dbraw/zinc/15/35/83/792153583.db2.gz OECCJEHURBQYHE-DGCLKSJQSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099772816 792153183 /nfs/dbraw/zinc/15/31/83/792153183.db2.gz OECCJEHURBQYHE-WCQYABFASA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099772816 792153176 /nfs/dbraw/zinc/15/31/76/792153176.db2.gz OECCJEHURBQYHE-WCQYABFASA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099772817 792152462 /nfs/dbraw/zinc/15/24/62/792152462.db2.gz OECCJEHURBQYHE-YPMHNXCESA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099772817 792152451 /nfs/dbraw/zinc/15/24/51/792152451.db2.gz OECCJEHURBQYHE-YPMHNXCESA-N 1 2 332.364 -1.410 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099774474 792154432 /nfs/dbraw/zinc/15/44/32/792154432.db2.gz BDPFCPZSRPQWRI-AAEUAGOBSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099774474 792154427 /nfs/dbraw/zinc/15/44/27/792154427.db2.gz BDPFCPZSRPQWRI-AAEUAGOBSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099774475 792153538 /nfs/dbraw/zinc/15/35/38/792153538.db2.gz BDPFCPZSRPQWRI-DGCLKSJQSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099774475 792153535 /nfs/dbraw/zinc/15/35/35/792153535.db2.gz BDPFCPZSRPQWRI-DGCLKSJQSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099774476 792153687 /nfs/dbraw/zinc/15/36/87/792153687.db2.gz BDPFCPZSRPQWRI-WCQYABFASA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099774476 792153684 /nfs/dbraw/zinc/15/36/84/792153684.db2.gz BDPFCPZSRPQWRI-WCQYABFASA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099774477 792153432 /nfs/dbraw/zinc/15/34/32/792153432.db2.gz BDPFCPZSRPQWRI-YPMHNXCESA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099774477 792153427 /nfs/dbraw/zinc/15/34/27/792153427.db2.gz BDPFCPZSRPQWRI-YPMHNXCESA-N 1 2 330.348 -1.309 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099774960 792152634 /nfs/dbraw/zinc/15/26/34/792152634.db2.gz FIAOXWBYTOVUQA-CABCVRRESA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099774960 792152628 /nfs/dbraw/zinc/15/26/28/792152628.db2.gz FIAOXWBYTOVUQA-CABCVRRESA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099774963 792153645 /nfs/dbraw/zinc/15/36/45/792153645.db2.gz FIAOXWBYTOVUQA-GJZGRUSLSA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099774963 792153641 /nfs/dbraw/zinc/15/36/41/792153641.db2.gz FIAOXWBYTOVUQA-GJZGRUSLSA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099774967 792153153 /nfs/dbraw/zinc/15/31/53/792153153.db2.gz FIAOXWBYTOVUQA-HUUCEWRRSA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099774967 792153146 /nfs/dbraw/zinc/15/31/46/792153146.db2.gz FIAOXWBYTOVUQA-HUUCEWRRSA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099774969 792153450 /nfs/dbraw/zinc/15/34/50/792153450.db2.gz FIAOXWBYTOVUQA-LSDHHAIUSA-N 1 2 330.388 -1.075 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099774969 792153442 /nfs/dbraw/zinc/15/34/42/792153442.db2.gz FIAOXWBYTOVUQA-LSDHHAIUSA-N 1 2 330.388 -1.075 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)[nH]1 ZINC001099775210 792153950 /nfs/dbraw/zinc/15/39/50/792153950.db2.gz GYOMDMODRNATMJ-GXSJLCMTSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)[nH]1 ZINC001099775210 792153937 /nfs/dbraw/zinc/15/39/37/792153937.db2.gz GYOMDMODRNATMJ-GXSJLCMTSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)[nH]1 ZINC001099775212 792152657 /nfs/dbraw/zinc/15/26/57/792152657.db2.gz GYOMDMODRNATMJ-KOLCDFICSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)[nH]1 ZINC001099775212 792152649 /nfs/dbraw/zinc/15/26/49/792152649.db2.gz GYOMDMODRNATMJ-KOLCDFICSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)[nH]1 ZINC001099775214 792152979 /nfs/dbraw/zinc/15/29/79/792152979.db2.gz GYOMDMODRNATMJ-MWLCHTKSSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)[nH]1 ZINC001099775214 792152973 /nfs/dbraw/zinc/15/29/73/792152973.db2.gz GYOMDMODRNATMJ-MWLCHTKSSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)[nH]1 ZINC001099775216 792152954 /nfs/dbraw/zinc/15/29/54/792152954.db2.gz GYOMDMODRNATMJ-ONGXEEELSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)[nH]1 ZINC001099775216 792152947 /nfs/dbraw/zinc/15/29/47/792152947.db2.gz GYOMDMODRNATMJ-ONGXEEELSA-N 1 2 334.336 -1.754 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099775403 792152564 /nfs/dbraw/zinc/15/25/64/792152564.db2.gz IAKVFFHJMMPQTO-CMPLNLGQSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099775403 792152558 /nfs/dbraw/zinc/15/25/58/792152558.db2.gz IAKVFFHJMMPQTO-CMPLNLGQSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099775404 792153732 /nfs/dbraw/zinc/15/37/32/792153732.db2.gz IAKVFFHJMMPQTO-JQWIXIFHSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099775404 792153728 /nfs/dbraw/zinc/15/37/28/792153728.db2.gz IAKVFFHJMMPQTO-JQWIXIFHSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099775405 792153859 /nfs/dbraw/zinc/15/38/59/792153859.db2.gz IAKVFFHJMMPQTO-PWSUYJOCSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099775405 792153852 /nfs/dbraw/zinc/15/38/52/792153852.db2.gz IAKVFFHJMMPQTO-PWSUYJOCSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099775406 792154088 /nfs/dbraw/zinc/15/40/88/792154088.db2.gz IAKVFFHJMMPQTO-ZYHUDNBSSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099775406 792154080 /nfs/dbraw/zinc/15/40/80/792154080.db2.gz IAKVFFHJMMPQTO-ZYHUDNBSSA-N 1 2 348.363 -1.493 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099775606 792153899 /nfs/dbraw/zinc/15/38/99/792153899.db2.gz JDKJAUKFKOISGG-KBPBESRZSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099775606 792153891 /nfs/dbraw/zinc/15/38/91/792153891.db2.gz JDKJAUKFKOISGG-KBPBESRZSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099775607 792153480 /nfs/dbraw/zinc/15/34/80/792153480.db2.gz JDKJAUKFKOISGG-KGLIPLIRSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001099775607 792153471 /nfs/dbraw/zinc/15/34/71/792153471.db2.gz JDKJAUKFKOISGG-KGLIPLIRSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099775608 792152497 /nfs/dbraw/zinc/15/24/97/792152497.db2.gz JDKJAUKFKOISGG-UONOGXRCSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099775608 792152489 /nfs/dbraw/zinc/15/24/89/792152489.db2.gz JDKJAUKFKOISGG-UONOGXRCSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099775609 792153777 /nfs/dbraw/zinc/15/37/77/792153777.db2.gz JDKJAUKFKOISGG-ZIAGYGMSSA-N 1 2 331.376 -1.185 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC001099775609 792153774 /nfs/dbraw/zinc/15/37/74/792153774.db2.gz JDKJAUKFKOISGG-ZIAGYGMSSA-N 1 2 331.376 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099776696 792153562 /nfs/dbraw/zinc/15/35/62/792153562.db2.gz WGAJVCKBAZANME-GXTWGEPZSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099776696 792153559 /nfs/dbraw/zinc/15/35/59/792153559.db2.gz WGAJVCKBAZANME-GXTWGEPZSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099776697 792153053 /nfs/dbraw/zinc/15/30/53/792153053.db2.gz WGAJVCKBAZANME-JSGCOSHPSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099776697 792153042 /nfs/dbraw/zinc/15/30/42/792153042.db2.gz WGAJVCKBAZANME-JSGCOSHPSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099776698 792154548 /nfs/dbraw/zinc/15/45/48/792154548.db2.gz WGAJVCKBAZANME-OCCSQVGLSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001099776698 792154542 /nfs/dbraw/zinc/15/45/42/792154542.db2.gz WGAJVCKBAZANME-OCCSQVGLSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099776699 792152897 /nfs/dbraw/zinc/15/28/97/792152897.db2.gz WGAJVCKBAZANME-TZMCWYRMSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 ZINC001099776699 792152886 /nfs/dbraw/zinc/15/28/86/792152886.db2.gz WGAJVCKBAZANME-TZMCWYRMSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)[C@H](O)C1 ZINC001099776760 792153842 /nfs/dbraw/zinc/15/38/42/792153842.db2.gz XPNBAAOQVPWCPU-GXTWGEPZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)[C@H](O)C1 ZINC001099776760 792153836 /nfs/dbraw/zinc/15/38/36/792153836.db2.gz XPNBAAOQVPWCPU-GXTWGEPZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001099776761 792153620 /nfs/dbraw/zinc/15/36/20/792153620.db2.gz XPNBAAOQVPWCPU-JSGCOSHPSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001099776761 792153617 /nfs/dbraw/zinc/15/36/17/792153617.db2.gz XPNBAAOQVPWCPU-JSGCOSHPSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001099776762 792154324 /nfs/dbraw/zinc/15/43/24/792154324.db2.gz XPNBAAOQVPWCPU-OCCSQVGLSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001099776762 792154314 /nfs/dbraw/zinc/15/43/14/792154314.db2.gz XPNBAAOQVPWCPU-OCCSQVGLSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ncn2)[C@H](O)C1 ZINC001099776763 792154113 /nfs/dbraw/zinc/15/41/13/792154113.db2.gz XPNBAAOQVPWCPU-TZMCWYRMSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)ncn2)[C@H](O)C1 ZINC001099776763 792154106 /nfs/dbraw/zinc/15/41/06/792154106.db2.gz XPNBAAOQVPWCPU-TZMCWYRMSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778160 792156025 /nfs/dbraw/zinc/15/60/25/792156025.db2.gz GPJJHWCJDLHWIE-KBPBESRZSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778160 792156022 /nfs/dbraw/zinc/15/60/22/792156022.db2.gz GPJJHWCJDLHWIE-KBPBESRZSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778161 792157031 /nfs/dbraw/zinc/15/70/31/792157031.db2.gz GPJJHWCJDLHWIE-KGLIPLIRSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778161 792157027 /nfs/dbraw/zinc/15/70/27/792157027.db2.gz GPJJHWCJDLHWIE-KGLIPLIRSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778162 792156247 /nfs/dbraw/zinc/15/62/47/792156247.db2.gz GPJJHWCJDLHWIE-UONOGXRCSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778162 792156242 /nfs/dbraw/zinc/15/62/42/792156242.db2.gz GPJJHWCJDLHWIE-UONOGXRCSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778163 792155300 /nfs/dbraw/zinc/15/53/00/792155300.db2.gz GPJJHWCJDLHWIE-ZIAGYGMSSA-N 1 2 338.408 -2.381 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778163 792155295 /nfs/dbraw/zinc/15/52/95/792155295.db2.gz GPJJHWCJDLHWIE-ZIAGYGMSSA-N 1 2 338.408 -2.381 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778564 792155716 /nfs/dbraw/zinc/15/57/16/792155716.db2.gz MCESJGYRIMQIEA-KBPBESRZSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778564 792155708 /nfs/dbraw/zinc/15/57/08/792155708.db2.gz MCESJGYRIMQIEA-KBPBESRZSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778565 792155812 /nfs/dbraw/zinc/15/58/12/792155812.db2.gz MCESJGYRIMQIEA-KGLIPLIRSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778565 792155807 /nfs/dbraw/zinc/15/58/07/792155807.db2.gz MCESJGYRIMQIEA-KGLIPLIRSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778566 792156155 /nfs/dbraw/zinc/15/61/55/792156155.db2.gz MCESJGYRIMQIEA-UONOGXRCSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778566 792156152 /nfs/dbraw/zinc/15/61/52/792156152.db2.gz MCESJGYRIMQIEA-UONOGXRCSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778567 792155164 /nfs/dbraw/zinc/15/51/64/792155164.db2.gz MCESJGYRIMQIEA-ZIAGYGMSSA-N 1 2 340.424 -1.828 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778567 792155151 /nfs/dbraw/zinc/15/51/51/792155151.db2.gz MCESJGYRIMQIEA-ZIAGYGMSSA-N 1 2 340.424 -1.828 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778772 792156042 /nfs/dbraw/zinc/15/60/42/792156042.db2.gz PHLREWSLSSXYEO-CHWSQXEVSA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778772 792156036 /nfs/dbraw/zinc/15/60/36/792156036.db2.gz PHLREWSLSSXYEO-CHWSQXEVSA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778773 792155415 /nfs/dbraw/zinc/15/54/15/792155415.db2.gz PHLREWSLSSXYEO-OLZOCXBDSA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778773 792155409 /nfs/dbraw/zinc/15/54/09/792155409.db2.gz PHLREWSLSSXYEO-OLZOCXBDSA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778774 792155005 /nfs/dbraw/zinc/15/50/05/792155005.db2.gz PHLREWSLSSXYEO-QWHCGFSZSA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099778774 792154998 /nfs/dbraw/zinc/15/49/98/792154998.db2.gz PHLREWSLSSXYEO-QWHCGFSZSA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778775 786325992 /nfs/dbraw/zinc/32/59/92/786325992.db2.gz PHLREWSLSSXYEO-STQMWFEESA-N 1 2 339.396 -2.490 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099778775 786325988 /nfs/dbraw/zinc/32/59/88/786325988.db2.gz PHLREWSLSSXYEO-STQMWFEESA-N 1 2 339.396 -2.490 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC001099782558 792156323 /nfs/dbraw/zinc/15/63/23/792156323.db2.gz CIKPRWXXIHYGGX-GHMZBOCLSA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC001099782558 792156316 /nfs/dbraw/zinc/15/63/16/792156316.db2.gz CIKPRWXXIHYGGX-GHMZBOCLSA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001099782559 792156380 /nfs/dbraw/zinc/15/63/80/792156380.db2.gz CIKPRWXXIHYGGX-MNOVXSKESA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001099782559 792156374 /nfs/dbraw/zinc/15/63/74/792156374.db2.gz CIKPRWXXIHYGGX-MNOVXSKESA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001099782560 792156184 /nfs/dbraw/zinc/15/61/84/792156184.db2.gz CIKPRWXXIHYGGX-QWRGUYRKSA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001099782560 792156180 /nfs/dbraw/zinc/15/61/80/792156180.db2.gz CIKPRWXXIHYGGX-QWRGUYRKSA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC001099782561 792155961 /nfs/dbraw/zinc/15/59/61/792155961.db2.gz CIKPRWXXIHYGGX-WDEREUQCSA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC001099782561 792155956 /nfs/dbraw/zinc/15/59/56/792155956.db2.gz CIKPRWXXIHYGGX-WDEREUQCSA-N 1 2 336.348 -1.402 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099782886 792155090 /nfs/dbraw/zinc/15/50/90/792155090.db2.gz HYPVZXYWSUPRHA-NEPJUHHUSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099782886 792155080 /nfs/dbraw/zinc/15/50/80/792155080.db2.gz HYPVZXYWSUPRHA-NEPJUHHUSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001099782887 792155236 /nfs/dbraw/zinc/15/52/36/792155236.db2.gz HYPVZXYWSUPRHA-NWDGAFQWSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001099782887 792155225 /nfs/dbraw/zinc/15/52/25/792155225.db2.gz HYPVZXYWSUPRHA-NWDGAFQWSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099782888 792155694 /nfs/dbraw/zinc/15/56/94/792155694.db2.gz HYPVZXYWSUPRHA-RYUDHWBXSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099782888 792155688 /nfs/dbraw/zinc/15/56/88/792155688.db2.gz HYPVZXYWSUPRHA-RYUDHWBXSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001099782889 792156110 /nfs/dbraw/zinc/15/61/10/792156110.db2.gz HYPVZXYWSUPRHA-VXGBXAGGSA-N 1 2 334.380 -2.083 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001099782889 792156107 /nfs/dbraw/zinc/15/61/07/792156107.db2.gz HYPVZXYWSUPRHA-VXGBXAGGSA-N 1 2 334.380 -2.083 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099782926 792156932 /nfs/dbraw/zinc/15/69/32/792156932.db2.gz IMVKVZSJFXNNTC-CHWSQXEVSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099782926 792156924 /nfs/dbraw/zinc/15/69/24/792156924.db2.gz IMVKVZSJFXNNTC-CHWSQXEVSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099782927 792156797 /nfs/dbraw/zinc/15/67/97/792156797.db2.gz IMVKVZSJFXNNTC-OLZOCXBDSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099782927 792156793 /nfs/dbraw/zinc/15/67/93/792156793.db2.gz IMVKVZSJFXNNTC-OLZOCXBDSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099782928 792155856 /nfs/dbraw/zinc/15/58/56/792155856.db2.gz IMVKVZSJFXNNTC-QWHCGFSZSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099782928 792155850 /nfs/dbraw/zinc/15/58/50/792155850.db2.gz IMVKVZSJFXNNTC-QWHCGFSZSA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099782929 792157038 /nfs/dbraw/zinc/15/70/38/792157038.db2.gz IMVKVZSJFXNNTC-STQMWFEESA-N 1 2 330.348 -1.309 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099782929 792157035 /nfs/dbraw/zinc/15/70/35/792157035.db2.gz IMVKVZSJFXNNTC-STQMWFEESA-N 1 2 330.348 -1.309 20 30 EAEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1N ZINC001099783098 792156007 /nfs/dbraw/zinc/15/60/07/792156007.db2.gz LGWLNUIZAORRSA-GHMZBOCLSA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1N ZINC001099783098 792156002 /nfs/dbraw/zinc/15/60/02/792156002.db2.gz LGWLNUIZAORRSA-GHMZBOCLSA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1N ZINC001099783099 792155667 /nfs/dbraw/zinc/15/56/67/792155667.db2.gz LGWLNUIZAORRSA-MNOVXSKESA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1N ZINC001099783099 792155658 /nfs/dbraw/zinc/15/56/58/792155658.db2.gz LGWLNUIZAORRSA-MNOVXSKESA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1N ZINC001099783100 792155564 /nfs/dbraw/zinc/15/55/64/792155564.db2.gz LGWLNUIZAORRSA-QWRGUYRKSA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1N ZINC001099783100 792155553 /nfs/dbraw/zinc/15/55/53/792155553.db2.gz LGWLNUIZAORRSA-QWRGUYRKSA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1N ZINC001099783101 792156539 /nfs/dbraw/zinc/15/65/39/792156539.db2.gz LGWLNUIZAORRSA-WDEREUQCSA-N 1 2 335.368 -2.193 20 30 EAEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1N ZINC001099783101 792156531 /nfs/dbraw/zinc/15/65/31/792156531.db2.gz LGWLNUIZAORRSA-WDEREUQCSA-N 1 2 335.368 -2.193 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783422 792158141 /nfs/dbraw/zinc/15/81/41/792158141.db2.gz PZKFIYWCLVLYTA-NEPJUHHUSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783422 792158138 /nfs/dbraw/zinc/15/81/38/792158138.db2.gz PZKFIYWCLVLYTA-NEPJUHHUSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783423 792158241 /nfs/dbraw/zinc/15/82/41/792158241.db2.gz PZKFIYWCLVLYTA-NWDGAFQWSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783423 792158240 /nfs/dbraw/zinc/15/82/40/792158240.db2.gz PZKFIYWCLVLYTA-NWDGAFQWSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783424 792158125 /nfs/dbraw/zinc/15/81/25/792158125.db2.gz PZKFIYWCLVLYTA-RYUDHWBXSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783424 792158123 /nfs/dbraw/zinc/15/81/23/792158123.db2.gz PZKFIYWCLVLYTA-RYUDHWBXSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783425 792158093 /nfs/dbraw/zinc/15/80/93/792158093.db2.gz PZKFIYWCLVLYTA-VXGBXAGGSA-N 1 2 348.363 -1.493 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783425 792158091 /nfs/dbraw/zinc/15/80/91/792158091.db2.gz PZKFIYWCLVLYTA-VXGBXAGGSA-N 1 2 348.363 -1.493 20 30 EAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c[nH]1 ZINC001099783478 792158860 /nfs/dbraw/zinc/15/88/60/792158860.db2.gz RDQUTZYKYXTJFN-GHMZBOCLSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c[nH]1 ZINC001099783478 792158850 /nfs/dbraw/zinc/15/88/50/792158850.db2.gz RDQUTZYKYXTJFN-GHMZBOCLSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c[nH]1 ZINC001099783479 792158947 /nfs/dbraw/zinc/15/89/47/792158947.db2.gz RDQUTZYKYXTJFN-MNOVXSKESA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c[nH]1 ZINC001099783479 792158937 /nfs/dbraw/zinc/15/89/37/792158937.db2.gz RDQUTZYKYXTJFN-MNOVXSKESA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c[nH]1 ZINC001099783480 792158521 /nfs/dbraw/zinc/15/85/21/792158521.db2.gz RDQUTZYKYXTJFN-QWRGUYRKSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c[nH]1 ZINC001099783480 792158511 /nfs/dbraw/zinc/15/85/11/792158511.db2.gz RDQUTZYKYXTJFN-QWRGUYRKSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c[nH]1 ZINC001099783481 792158633 /nfs/dbraw/zinc/15/86/33/792158633.db2.gz RDQUTZYKYXTJFN-WDEREUQCSA-N 1 2 334.336 -1.754 20 30 EAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c[nH]1 ZINC001099783481 792158623 /nfs/dbraw/zinc/15/86/23/792158623.db2.gz RDQUTZYKYXTJFN-WDEREUQCSA-N 1 2 334.336 -1.754 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783590 792159135 /nfs/dbraw/zinc/15/91/35/792159135.db2.gz SQXMVUBMMLQBLQ-KBPBESRZSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783590 792159128 /nfs/dbraw/zinc/15/91/28/792159128.db2.gz SQXMVUBMMLQBLQ-KBPBESRZSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783591 792158418 /nfs/dbraw/zinc/15/84/18/792158418.db2.gz SQXMVUBMMLQBLQ-KGLIPLIRSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001099783591 792158410 /nfs/dbraw/zinc/15/84/10/792158410.db2.gz SQXMVUBMMLQBLQ-KGLIPLIRSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783592 792159029 /nfs/dbraw/zinc/15/90/29/792159029.db2.gz SQXMVUBMMLQBLQ-UONOGXRCSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783592 792159021 /nfs/dbraw/zinc/15/90/21/792159021.db2.gz SQXMVUBMMLQBLQ-UONOGXRCSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783593 792158170 /nfs/dbraw/zinc/15/81/70/792158170.db2.gz SQXMVUBMMLQBLQ-ZIAGYGMSSA-N 1 2 329.360 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC001099783593 792158167 /nfs/dbraw/zinc/15/81/67/792158167.db2.gz SQXMVUBMMLQBLQ-ZIAGYGMSSA-N 1 2 329.360 -1.199 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099783746 792157548 /nfs/dbraw/zinc/15/75/48/792157548.db2.gz WJVCKYCHQYPDIJ-NEPJUHHUSA-N 1 2 336.396 -1.531 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099783746 792157535 /nfs/dbraw/zinc/15/75/35/792157535.db2.gz WJVCKYCHQYPDIJ-NEPJUHHUSA-N 1 2 336.396 -1.531 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001099783747 792158111 /nfs/dbraw/zinc/15/81/11/792158111.db2.gz WJVCKYCHQYPDIJ-NWDGAFQWSA-N 1 2 336.396 -1.531 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001099783747 792158108 /nfs/dbraw/zinc/15/81/08/792158108.db2.gz WJVCKYCHQYPDIJ-NWDGAFQWSA-N 1 2 336.396 -1.531 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099783748 792157666 /nfs/dbraw/zinc/15/76/66/792157666.db2.gz WJVCKYCHQYPDIJ-RYUDHWBXSA-N 1 2 336.396 -1.531 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001099783748 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ZINC001099791362 792166267 /nfs/dbraw/zinc/16/62/67/792166267.db2.gz DIUBPMWWUIBOKC-KBPBESRZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](O)C1 ZINC001099791363 792165798 /nfs/dbraw/zinc/16/57/98/792165798.db2.gz DIUBPMWWUIBOKC-KGLIPLIRSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](O)C1 ZINC001099791363 792165793 /nfs/dbraw/zinc/16/57/93/792165793.db2.gz DIUBPMWWUIBOKC-KGLIPLIRSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnc(C)c2)[C@H](O)C1 ZINC001099791364 792166539 /nfs/dbraw/zinc/16/65/39/792166539.db2.gz DIUBPMWWUIBOKC-UONOGXRCSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnc(C)c2)[C@H](O)C1 ZINC001099791364 792166535 /nfs/dbraw/zinc/16/65/35/792166535.db2.gz DIUBPMWWUIBOKC-UONOGXRCSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnc(C)c2)[C@H](O)C1 ZINC001099791365 792165207 /nfs/dbraw/zinc/16/52/07/792165207.db2.gz DIUBPMWWUIBOKC-ZIAGYGMSSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnc(C)c2)[C@H](O)C1 ZINC001099791365 792165205 /nfs/dbraw/zinc/16/52/05/792165205.db2.gz DIUBPMWWUIBOKC-ZIAGYGMSSA-N 1 2 331.376 -1.301 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1 ZINC001099792714 792171000 /nfs/dbraw/zinc/17/10/00/792171000.db2.gz YFOOZDQIUFAHAA-CHWSQXEVSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1 ZINC001099792714 792170993 /nfs/dbraw/zinc/17/09/93/792170993.db2.gz YFOOZDQIUFAHAA-CHWSQXEVSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1 ZINC001099792715 792170921 /nfs/dbraw/zinc/17/09/21/792170921.db2.gz YFOOZDQIUFAHAA-OLZOCXBDSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1 ZINC001099792715 792170915 /nfs/dbraw/zinc/17/09/15/792170915.db2.gz YFOOZDQIUFAHAA-OLZOCXBDSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1 ZINC001099792716 792170332 /nfs/dbraw/zinc/17/03/32/792170332.db2.gz YFOOZDQIUFAHAA-QWHCGFSZSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1 ZINC001099792716 792170323 /nfs/dbraw/zinc/17/03/23/792170323.db2.gz YFOOZDQIUFAHAA-QWHCGFSZSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1 ZINC001099792717 792170679 /nfs/dbraw/zinc/17/06/79/792170679.db2.gz YFOOZDQIUFAHAA-STQMWFEESA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1 ZINC001099792717 792170672 /nfs/dbraw/zinc/17/06/72/792170672.db2.gz YFOOZDQIUFAHAA-STQMWFEESA-N 1 2 332.364 -1.410 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099793952 792170855 /nfs/dbraw/zinc/17/08/55/792170855.db2.gz FOLWOMMGVASPFY-NEPJUHHUSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099793952 792170848 /nfs/dbraw/zinc/17/08/48/792170848.db2.gz FOLWOMMGVASPFY-NEPJUHHUSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099793953 792169311 /nfs/dbraw/zinc/16/93/11/792169311.db2.gz FOLWOMMGVASPFY-NWDGAFQWSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099793953 792169307 /nfs/dbraw/zinc/16/93/07/792169307.db2.gz FOLWOMMGVASPFY-NWDGAFQWSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099793954 792170456 /nfs/dbraw/zinc/17/04/56/792170456.db2.gz FOLWOMMGVASPFY-RYUDHWBXSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099793954 792170449 /nfs/dbraw/zinc/17/04/49/792170449.db2.gz FOLWOMMGVASPFY-RYUDHWBXSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099793955 792169615 /nfs/dbraw/zinc/16/96/15/792169615.db2.gz FOLWOMMGVASPFY-VXGBXAGGSA-N 1 2 326.397 -1.007 20 30 EAEDLO CC(C)(C)OCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099793955 792169611 /nfs/dbraw/zinc/16/96/11/792169611.db2.gz FOLWOMMGVASPFY-VXGBXAGGSA-N 1 2 326.397 -1.007 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099793964 792169911 /nfs/dbraw/zinc/16/99/11/792169911.db2.gz FQNAIDIRXMNTTB-GHMZBOCLSA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099793964 792169905 /nfs/dbraw/zinc/16/99/05/792169905.db2.gz FQNAIDIRXMNTTB-GHMZBOCLSA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099793965 792169364 /nfs/dbraw/zinc/16/93/64/792169364.db2.gz FQNAIDIRXMNTTB-MNOVXSKESA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099793965 792169359 /nfs/dbraw/zinc/16/93/59/792169359.db2.gz FQNAIDIRXMNTTB-MNOVXSKESA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099793966 792170277 /nfs/dbraw/zinc/17/02/77/792170277.db2.gz FQNAIDIRXMNTTB-QWRGUYRKSA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099793966 792170267 /nfs/dbraw/zinc/17/02/67/792170267.db2.gz FQNAIDIRXMNTTB-QWRGUYRKSA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099793967 792169693 /nfs/dbraw/zinc/16/96/93/792169693.db2.gz FQNAIDIRXMNTTB-WDEREUQCSA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099793967 792169689 /nfs/dbraw/zinc/16/96/89/792169689.db2.gz FQNAIDIRXMNTTB-WDEREUQCSA-N 1 2 338.364 -1.555 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794000 792171027 /nfs/dbraw/zinc/17/10/27/792171027.db2.gz GIFYLDWAGDHDAW-KBPBESRZSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794000 792171018 /nfs/dbraw/zinc/17/10/18/792171018.db2.gz GIFYLDWAGDHDAW-KBPBESRZSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794001 792169683 /nfs/dbraw/zinc/16/96/83/792169683.db2.gz GIFYLDWAGDHDAW-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794001 792169679 /nfs/dbraw/zinc/16/96/79/792169679.db2.gz GIFYLDWAGDHDAW-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794002 792170478 /nfs/dbraw/zinc/17/04/78/792170478.db2.gz GIFYLDWAGDHDAW-UONOGXRCSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794002 792170471 /nfs/dbraw/zinc/17/04/71/792170471.db2.gz GIFYLDWAGDHDAW-UONOGXRCSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794003 792170505 /nfs/dbraw/zinc/17/05/05/792170505.db2.gz GIFYLDWAGDHDAW-ZIAGYGMSSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794003 792170498 /nfs/dbraw/zinc/17/04/98/792170498.db2.gz GIFYLDWAGDHDAW-ZIAGYGMSSA-N 1 2 333.392 -1.127 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794060 792169715 /nfs/dbraw/zinc/16/97/15/792169715.db2.gz HAYWJDFXJPHQMA-KBPBESRZSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794060 792169709 /nfs/dbraw/zinc/16/97/09/792169709.db2.gz HAYWJDFXJPHQMA-KBPBESRZSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794061 792169655 /nfs/dbraw/zinc/16/96/55/792169655.db2.gz HAYWJDFXJPHQMA-KGLIPLIRSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794061 792169650 /nfs/dbraw/zinc/16/96/50/792169650.db2.gz HAYWJDFXJPHQMA-KGLIPLIRSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794062 792170812 /nfs/dbraw/zinc/17/08/12/792170812.db2.gz HAYWJDFXJPHQMA-UONOGXRCSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794062 792170810 /nfs/dbraw/zinc/17/08/10/792170810.db2.gz HAYWJDFXJPHQMA-UONOGXRCSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794063 792169733 /nfs/dbraw/zinc/16/97/33/792169733.db2.gz HAYWJDFXJPHQMA-ZIAGYGMSSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794063 792169727 /nfs/dbraw/zinc/16/97/27/792169727.db2.gz HAYWJDFXJPHQMA-ZIAGYGMSSA-N 1 2 333.392 -1.737 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794216 792169516 /nfs/dbraw/zinc/16/95/16/792169516.db2.gz JAODBKKVOAPXSG-CHWSQXEVSA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794216 792169509 /nfs/dbraw/zinc/16/95/09/792169509.db2.gz JAODBKKVOAPXSG-CHWSQXEVSA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794217 792169954 /nfs/dbraw/zinc/16/99/54/792169954.db2.gz JAODBKKVOAPXSG-OLZOCXBDSA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794217 792169947 /nfs/dbraw/zinc/16/99/47/792169947.db2.gz JAODBKKVOAPXSG-OLZOCXBDSA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794218 792170949 /nfs/dbraw/zinc/17/09/49/792170949.db2.gz JAODBKKVOAPXSG-QWHCGFSZSA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099794218 792170942 /nfs/dbraw/zinc/17/09/42/792170942.db2.gz JAODBKKVOAPXSG-QWHCGFSZSA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794219 792170305 /nfs/dbraw/zinc/17/03/05/792170305.db2.gz JAODBKKVOAPXSG-STQMWFEESA-N 1 2 332.364 -1.790 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099794219 792170294 /nfs/dbraw/zinc/17/02/94/792170294.db2.gz JAODBKKVOAPXSG-STQMWFEESA-N 1 2 332.364 -1.790 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794292 792170660 /nfs/dbraw/zinc/17/06/60/792170660.db2.gz KQHIAZOFKMAVFE-KBPBESRZSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794292 792170654 /nfs/dbraw/zinc/17/06/54/792170654.db2.gz KQHIAZOFKMAVFE-KBPBESRZSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794293 792170109 /nfs/dbraw/zinc/17/01/09/792170109.db2.gz KQHIAZOFKMAVFE-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001099794293 792170103 /nfs/dbraw/zinc/17/01/03/792170103.db2.gz KQHIAZOFKMAVFE-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794294 792170029 /nfs/dbraw/zinc/17/00/29/792170029.db2.gz KQHIAZOFKMAVFE-UONOGXRCSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794294 792170025 /nfs/dbraw/zinc/17/00/25/792170025.db2.gz KQHIAZOFKMAVFE-UONOGXRCSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794295 792170896 /nfs/dbraw/zinc/17/08/96/792170896.db2.gz KQHIAZOFKMAVFE-ZIAGYGMSSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001099794295 792170887 /nfs/dbraw/zinc/17/08/87/792170887.db2.gz KQHIAZOFKMAVFE-ZIAGYGMSSA-N 1 2 335.408 -1.184 20 30 EAEDLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099794408 792170167 /nfs/dbraw/zinc/17/01/67/792170167.db2.gz MFOSZYSUIGHAMF-NXEZZACHSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099794408 792170156 /nfs/dbraw/zinc/17/01/56/792170156.db2.gz MFOSZYSUIGHAMF-NXEZZACHSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099794409 792169174 /nfs/dbraw/zinc/16/91/74/792169174.db2.gz MFOSZYSUIGHAMF-UWVGGRQHSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099794409 792169165 /nfs/dbraw/zinc/16/91/65/792169165.db2.gz MFOSZYSUIGHAMF-UWVGGRQHSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099794410 792169756 /nfs/dbraw/zinc/16/97/56/792169756.db2.gz MFOSZYSUIGHAMF-VHSXEESVSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099794410 792169750 /nfs/dbraw/zinc/16/97/50/792169750.db2.gz MFOSZYSUIGHAMF-VHSXEESVSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099794411 792171097 /nfs/dbraw/zinc/17/10/97/792171097.db2.gz MFOSZYSUIGHAMF-ZJUUUORDSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099794411 792171090 /nfs/dbraw/zinc/17/10/90/792171090.db2.gz MFOSZYSUIGHAMF-ZJUUUORDSA-N 1 2 337.336 -2.217 20 30 EAEDLO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099794464 792171877 /nfs/dbraw/zinc/17/18/77/792171877.db2.gz NDJPMRPWFJXYLM-CHWSQXEVSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099794464 792171874 /nfs/dbraw/zinc/17/18/74/792171874.db2.gz NDJPMRPWFJXYLM-CHWSQXEVSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099794465 792173370 /nfs/dbraw/zinc/17/33/70/792173370.db2.gz NDJPMRPWFJXYLM-OLZOCXBDSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099794465 792173365 /nfs/dbraw/zinc/17/33/65/792173365.db2.gz NDJPMRPWFJXYLM-OLZOCXBDSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099794466 792171965 /nfs/dbraw/zinc/17/19/65/792171965.db2.gz NDJPMRPWFJXYLM-QWHCGFSZSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099794466 792171961 /nfs/dbraw/zinc/17/19/61/792171961.db2.gz NDJPMRPWFJXYLM-QWHCGFSZSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099794467 792173260 /nfs/dbraw/zinc/17/32/60/792173260.db2.gz NDJPMRPWFJXYLM-STQMWFEESA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1nccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099794467 792173255 /nfs/dbraw/zinc/17/32/55/792173255.db2.gz NDJPMRPWFJXYLM-STQMWFEESA-N 1 2 334.380 -1.846 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099794968 792172645 /nfs/dbraw/zinc/17/26/45/792172645.db2.gz VAJSBBVJZXCODJ-KBPBESRZSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099794968 792172640 /nfs/dbraw/zinc/17/26/40/792172640.db2.gz VAJSBBVJZXCODJ-KBPBESRZSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099794969 792173225 /nfs/dbraw/zinc/17/32/25/792173225.db2.gz VAJSBBVJZXCODJ-KGLIPLIRSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099794969 792173219 /nfs/dbraw/zinc/17/32/19/792173219.db2.gz VAJSBBVJZXCODJ-KGLIPLIRSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099794970 792172491 /nfs/dbraw/zinc/17/24/91/792172491.db2.gz VAJSBBVJZXCODJ-UONOGXRCSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099794970 792172482 /nfs/dbraw/zinc/17/24/82/792172482.db2.gz VAJSBBVJZXCODJ-UONOGXRCSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099794971 792173187 /nfs/dbraw/zinc/17/31/87/792173187.db2.gz VAJSBBVJZXCODJ-ZIAGYGMSSA-N 1 2 336.392 -2.235 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099794971 792173184 /nfs/dbraw/zinc/17/31/84/792173184.db2.gz VAJSBBVJZXCODJ-ZIAGYGMSSA-N 1 2 336.392 -2.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795128 792172055 /nfs/dbraw/zinc/17/20/55/792172055.db2.gz XZKNSWHVNMJQIR-CHWSQXEVSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795128 792172047 /nfs/dbraw/zinc/17/20/47/792172047.db2.gz XZKNSWHVNMJQIR-CHWSQXEVSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795129 792173008 /nfs/dbraw/zinc/17/30/08/792173008.db2.gz XZKNSWHVNMJQIR-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795129 792173005 /nfs/dbraw/zinc/17/30/05/792173005.db2.gz XZKNSWHVNMJQIR-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795130 792173320 /nfs/dbraw/zinc/17/33/20/792173320.db2.gz XZKNSWHVNMJQIR-QWHCGFSZSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795130 792173314 /nfs/dbraw/zinc/17/33/14/792173314.db2.gz XZKNSWHVNMJQIR-QWHCGFSZSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795131 792171856 /nfs/dbraw/zinc/17/18/56/792171856.db2.gz XZKNSWHVNMJQIR-STQMWFEESA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795131 792171853 /nfs/dbraw/zinc/17/18/53/792171853.db2.gz XZKNSWHVNMJQIR-STQMWFEESA-N 1 2 336.396 -1.478 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795172 792172567 /nfs/dbraw/zinc/17/25/67/792172567.db2.gz YQUBBDHNCGDBNR-NEPJUHHUSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795172 792172563 /nfs/dbraw/zinc/17/25/63/792172563.db2.gz YQUBBDHNCGDBNR-NEPJUHHUSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795173 792172015 /nfs/dbraw/zinc/17/20/15/792172015.db2.gz YQUBBDHNCGDBNR-NWDGAFQWSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795173 792172004 /nfs/dbraw/zinc/17/20/04/792172004.db2.gz YQUBBDHNCGDBNR-NWDGAFQWSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795174 792172429 /nfs/dbraw/zinc/17/24/29/792172429.db2.gz YQUBBDHNCGDBNR-RYUDHWBXSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099795174 792172425 /nfs/dbraw/zinc/17/24/25/792172425.db2.gz YQUBBDHNCGDBNR-RYUDHWBXSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795175 792173348 /nfs/dbraw/zinc/17/33/48/792173348.db2.gz YQUBBDHNCGDBNR-VXGBXAGGSA-N 1 2 335.368 -2.141 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099795175 792173344 /nfs/dbraw/zinc/17/33/44/792173344.db2.gz YQUBBDHNCGDBNR-VXGBXAGGSA-N 1 2 335.368 -2.141 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099795224 792172944 /nfs/dbraw/zinc/17/29/44/792172944.db2.gz ZMDOGQGNISICQX-GHMZBOCLSA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099795224 792172940 /nfs/dbraw/zinc/17/29/40/792172940.db2.gz ZMDOGQGNISICQX-GHMZBOCLSA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099795225 792173153 /nfs/dbraw/zinc/17/31/53/792173153.db2.gz ZMDOGQGNISICQX-MNOVXSKESA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099795225 792173151 /nfs/dbraw/zinc/17/31/51/792173151.db2.gz ZMDOGQGNISICQX-MNOVXSKESA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099795226 792171948 /nfs/dbraw/zinc/17/19/48/792171948.db2.gz ZMDOGQGNISICQX-QWRGUYRKSA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001099795226 792171945 /nfs/dbraw/zinc/17/19/45/792171945.db2.gz ZMDOGQGNISICQX-QWRGUYRKSA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099795227 792173127 /nfs/dbraw/zinc/17/31/27/792173127.db2.gz ZMDOGQGNISICQX-WDEREUQCSA-N 1 2 336.348 -2.107 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001099795227 792173116 /nfs/dbraw/zinc/17/31/16/792173116.db2.gz ZMDOGQGNISICQX-WDEREUQCSA-N 1 2 336.348 -2.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)NC)[C@H](O)C1 ZINC001099796572 792175381 /nfs/dbraw/zinc/17/53/81/792175381.db2.gz GIXWNHZFBKPOAW-CHWSQXEVSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(=O)NC)[C@H](O)C1 ZINC001099796572 792175378 /nfs/dbraw/zinc/17/53/78/792175378.db2.gz GIXWNHZFBKPOAW-CHWSQXEVSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001099796573 792174051 /nfs/dbraw/zinc/17/40/51/792174051.db2.gz GIXWNHZFBKPOAW-OLZOCXBDSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001099796573 792174049 /nfs/dbraw/zinc/17/40/49/792174049.db2.gz GIXWNHZFBKPOAW-OLZOCXBDSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(=O)NC)[C@H](O)C1 ZINC001099796574 792175339 /nfs/dbraw/zinc/17/53/39/792175339.db2.gz GIXWNHZFBKPOAW-QWHCGFSZSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(=O)NC)[C@H](O)C1 ZINC001099796574 792175334 /nfs/dbraw/zinc/17/53/34/792175334.db2.gz GIXWNHZFBKPOAW-QWHCGFSZSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001099796575 792175278 /nfs/dbraw/zinc/17/52/78/792175278.db2.gz GIXWNHZFBKPOAW-STQMWFEESA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001099796575 792175274 /nfs/dbraw/zinc/17/52/74/792175274.db2.gz GIXWNHZFBKPOAW-STQMWFEESA-N 1 2 340.424 -1.244 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccn2CC)[C@H](O)C1 ZINC001099796972 792174421 /nfs/dbraw/zinc/17/44/21/792174421.db2.gz MHNIXVLWTWFBEE-CHWSQXEVSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccn2CC)[C@H](O)C1 ZINC001099796972 792174416 /nfs/dbraw/zinc/17/44/16/792174416.db2.gz MHNIXVLWTWFBEE-CHWSQXEVSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccn2CC)[C@@H](O)C1 ZINC001099796973 792174771 /nfs/dbraw/zinc/17/47/71/792174771.db2.gz MHNIXVLWTWFBEE-OLZOCXBDSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccn2CC)[C@@H](O)C1 ZINC001099796973 792174769 /nfs/dbraw/zinc/17/47/69/792174769.db2.gz MHNIXVLWTWFBEE-OLZOCXBDSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccn2CC)[C@H](O)C1 ZINC001099796974 792175408 /nfs/dbraw/zinc/17/54/08/792175408.db2.gz MHNIXVLWTWFBEE-QWHCGFSZSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccn2CC)[C@H](O)C1 ZINC001099796974 792175405 /nfs/dbraw/zinc/17/54/05/792175405.db2.gz MHNIXVLWTWFBEE-QWHCGFSZSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccn2CC)[C@@H](O)C1 ZINC001099796975 792174699 /nfs/dbraw/zinc/17/46/99/792174699.db2.gz MHNIXVLWTWFBEE-STQMWFEESA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccn2CC)[C@@H](O)C1 ZINC001099796975 792174692 /nfs/dbraw/zinc/17/46/92/792174692.db2.gz MHNIXVLWTWFBEE-STQMWFEESA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099797484 792175079 /nfs/dbraw/zinc/17/50/79/792175079.db2.gz UYSCQFPDDOENOA-KBPBESRZSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099797484 792175075 /nfs/dbraw/zinc/17/50/75/792175075.db2.gz UYSCQFPDDOENOA-KBPBESRZSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099797485 792174854 /nfs/dbraw/zinc/17/48/54/792174854.db2.gz UYSCQFPDDOENOA-KGLIPLIRSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001099797485 792174846 /nfs/dbraw/zinc/17/48/46/792174846.db2.gz UYSCQFPDDOENOA-KGLIPLIRSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099797486 792174213 /nfs/dbraw/zinc/17/42/13/792174213.db2.gz UYSCQFPDDOENOA-UONOGXRCSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099797486 792174209 /nfs/dbraw/zinc/17/42/09/792174209.db2.gz UYSCQFPDDOENOA-UONOGXRCSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099797487 792174149 /nfs/dbraw/zinc/17/41/49/792174149.db2.gz UYSCQFPDDOENOA-ZIAGYGMSSA-N 1 2 331.376 -1.680 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001099797487 792174147 /nfs/dbraw/zinc/17/41/47/792174147.db2.gz UYSCQFPDDOENOA-ZIAGYGMSSA-N 1 2 331.376 -1.680 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797496 792176797 /nfs/dbraw/zinc/17/67/97/792176797.db2.gz UZOOCDBGFBYJKA-NEPJUHHUSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797496 792176791 /nfs/dbraw/zinc/17/67/91/792176791.db2.gz UZOOCDBGFBYJKA-NEPJUHHUSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797497 792176704 /nfs/dbraw/zinc/17/67/04/792176704.db2.gz UZOOCDBGFBYJKA-NWDGAFQWSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797497 792176697 /nfs/dbraw/zinc/17/66/97/792176697.db2.gz UZOOCDBGFBYJKA-NWDGAFQWSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797498 792176501 /nfs/dbraw/zinc/17/65/01/792176501.db2.gz UZOOCDBGFBYJKA-RYUDHWBXSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797498 792176495 /nfs/dbraw/zinc/17/64/95/792176495.db2.gz UZOOCDBGFBYJKA-RYUDHWBXSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797499 792176769 /nfs/dbraw/zinc/17/67/69/792176769.db2.gz UZOOCDBGFBYJKA-VXGBXAGGSA-N 1 2 339.396 -1.906 20 30 EAEDLO CNC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797499 792176763 /nfs/dbraw/zinc/17/67/63/792176763.db2.gz UZOOCDBGFBYJKA-VXGBXAGGSA-N 1 2 339.396 -1.906 20 30 EAEDLO CCn1ccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797708 792176900 /nfs/dbraw/zinc/17/69/00/792176900.db2.gz YNNHJNIDQOZIII-NEPJUHHUSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797708 792176893 /nfs/dbraw/zinc/17/68/93/792176893.db2.gz YNNHJNIDQOZIII-NEPJUHHUSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797709 792176982 /nfs/dbraw/zinc/17/69/82/792176982.db2.gz YNNHJNIDQOZIII-NWDGAFQWSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797709 792176975 /nfs/dbraw/zinc/17/69/75/792176975.db2.gz YNNHJNIDQOZIII-NWDGAFQWSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797710 792176819 /nfs/dbraw/zinc/17/68/19/792176819.db2.gz YNNHJNIDQOZIII-RYUDHWBXSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099797710 792176813 /nfs/dbraw/zinc/17/68/13/792176813.db2.gz YNNHJNIDQOZIII-RYUDHWBXSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797711 792177337 /nfs/dbraw/zinc/17/73/37/792177337.db2.gz YNNHJNIDQOZIII-VXGBXAGGSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099797711 792177331 /nfs/dbraw/zinc/17/73/31/792177331.db2.gz YNNHJNIDQOZIII-VXGBXAGGSA-N 1 2 334.380 -1.292 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099799034 792175986 /nfs/dbraw/zinc/17/59/86/792175986.db2.gz HMHIEQQMKDDRSK-CHWSQXEVSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099799034 792175975 /nfs/dbraw/zinc/17/59/75/792175975.db2.gz HMHIEQQMKDDRSK-CHWSQXEVSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099799035 792176569 /nfs/dbraw/zinc/17/65/69/792176569.db2.gz HMHIEQQMKDDRSK-OLZOCXBDSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099799035 792176564 /nfs/dbraw/zinc/17/65/64/792176564.db2.gz HMHIEQQMKDDRSK-OLZOCXBDSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099799036 792176182 /nfs/dbraw/zinc/17/61/82/792176182.db2.gz HMHIEQQMKDDRSK-QWHCGFSZSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099799036 792176174 /nfs/dbraw/zinc/17/61/74/792176174.db2.gz HMHIEQQMKDDRSK-QWHCGFSZSA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099799037 792177414 /nfs/dbraw/zinc/17/74/14/792177414.db2.gz HMHIEQQMKDDRSK-STQMWFEESA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099799037 792177410 /nfs/dbraw/zinc/17/74/10/792177410.db2.gz HMHIEQQMKDDRSK-STQMWFEESA-N 1 2 334.380 -2.031 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)[C@H](O)C1 ZINC001099799586 792177397 /nfs/dbraw/zinc/17/73/97/792177397.db2.gz PNEQZOGUEBCEOS-CHWSQXEVSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)[C@H](O)C1 ZINC001099799586 792177395 /nfs/dbraw/zinc/17/73/95/792177395.db2.gz PNEQZOGUEBCEOS-CHWSQXEVSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001099799587 792176342 /nfs/dbraw/zinc/17/63/42/792176342.db2.gz PNEQZOGUEBCEOS-OLZOCXBDSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001099799587 792176336 /nfs/dbraw/zinc/17/63/36/792176336.db2.gz PNEQZOGUEBCEOS-OLZOCXBDSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccc(C)n2)[C@H](O)C1 ZINC001099799588 792176781 /nfs/dbraw/zinc/17/67/81/792176781.db2.gz PNEQZOGUEBCEOS-QWHCGFSZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccc(C)n2)[C@H](O)C1 ZINC001099799588 792176776 /nfs/dbraw/zinc/17/67/76/792176776.db2.gz PNEQZOGUEBCEOS-QWHCGFSZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001099799589 792177105 /nfs/dbraw/zinc/17/71/05/792177105.db2.gz PNEQZOGUEBCEOS-STQMWFEESA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001099799589 792177102 /nfs/dbraw/zinc/17/71/02/792177102.db2.gz PNEQZOGUEBCEOS-STQMWFEESA-N 1 2 331.376 -1.301 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099801200 792179053 /nfs/dbraw/zinc/17/90/53/792179053.db2.gz ALWJJFWOFPUDNI-GHMZBOCLSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099801200 792179047 /nfs/dbraw/zinc/17/90/47/792179047.db2.gz ALWJJFWOFPUDNI-GHMZBOCLSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099801201 792179087 /nfs/dbraw/zinc/17/90/87/792179087.db2.gz ALWJJFWOFPUDNI-MNOVXSKESA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099801201 792179084 /nfs/dbraw/zinc/17/90/84/792179084.db2.gz ALWJJFWOFPUDNI-MNOVXSKESA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099801202 792179220 /nfs/dbraw/zinc/17/92/20/792179220.db2.gz ALWJJFWOFPUDNI-QWRGUYRKSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099801202 792179214 /nfs/dbraw/zinc/17/92/14/792179214.db2.gz ALWJJFWOFPUDNI-QWRGUYRKSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099801203 792178773 /nfs/dbraw/zinc/17/87/73/792178773.db2.gz ALWJJFWOFPUDNI-WDEREUQCSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099801203 792178769 /nfs/dbraw/zinc/17/87/69/792178769.db2.gz ALWJJFWOFPUDNI-WDEREUQCSA-N 1 2 336.352 -1.888 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801504 792178071 /nfs/dbraw/zinc/17/80/71/792178071.db2.gz GGXLGGRCULJWDM-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801504 792178060 /nfs/dbraw/zinc/17/80/60/792178060.db2.gz GGXLGGRCULJWDM-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801505 792178530 /nfs/dbraw/zinc/17/85/30/792178530.db2.gz GGXLGGRCULJWDM-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801505 792178522 /nfs/dbraw/zinc/17/85/22/792178522.db2.gz GGXLGGRCULJWDM-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801506 792179368 /nfs/dbraw/zinc/17/93/68/792179368.db2.gz GGXLGGRCULJWDM-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801506 792179360 /nfs/dbraw/zinc/17/93/60/792179360.db2.gz GGXLGGRCULJWDM-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801507 792177983 /nfs/dbraw/zinc/17/79/83/792177983.db2.gz GGXLGGRCULJWDM-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801507 792177971 /nfs/dbraw/zinc/17/79/71/792177971.db2.gz GGXLGGRCULJWDM-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801592 792179462 /nfs/dbraw/zinc/17/94/62/792179462.db2.gz HGQYXGXFWFUWJP-AAEUAGOBSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801592 792179455 /nfs/dbraw/zinc/17/94/55/792179455.db2.gz HGQYXGXFWFUWJP-AAEUAGOBSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801593 792179696 /nfs/dbraw/zinc/17/96/96/792179696.db2.gz HGQYXGXFWFUWJP-DGCLKSJQSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801593 792179685 /nfs/dbraw/zinc/17/96/85/792179685.db2.gz HGQYXGXFWFUWJP-DGCLKSJQSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801594 792179200 /nfs/dbraw/zinc/17/92/00/792179200.db2.gz HGQYXGXFWFUWJP-WCQYABFASA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC001099801594 792179195 /nfs/dbraw/zinc/17/91/95/792179195.db2.gz HGQYXGXFWFUWJP-WCQYABFASA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801595 792178605 /nfs/dbraw/zinc/17/86/05/792178605.db2.gz HGQYXGXFWFUWJP-YPMHNXCESA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001099801595 792178600 /nfs/dbraw/zinc/17/86/00/792178600.db2.gz HGQYXGXFWFUWJP-YPMHNXCESA-N 1 2 334.380 -1.788 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099801768 792179163 /nfs/dbraw/zinc/17/91/63/792179163.db2.gz KDVVLGJUCIXKKH-KBPBESRZSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099801768 792179158 /nfs/dbraw/zinc/17/91/58/792179158.db2.gz KDVVLGJUCIXKKH-KBPBESRZSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099801769 792177855 /nfs/dbraw/zinc/17/78/55/792177855.db2.gz KDVVLGJUCIXKKH-KGLIPLIRSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001099801769 792177851 /nfs/dbraw/zinc/17/78/51/792177851.db2.gz KDVVLGJUCIXKKH-KGLIPLIRSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099801770 792178228 /nfs/dbraw/zinc/17/82/28/792178228.db2.gz KDVVLGJUCIXKKH-UONOGXRCSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099801770 792178222 /nfs/dbraw/zinc/17/82/22/792178222.db2.gz KDVVLGJUCIXKKH-UONOGXRCSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099801771 792178874 /nfs/dbraw/zinc/17/88/74/792178874.db2.gz KDVVLGJUCIXKKH-ZIAGYGMSSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001099801771 792178869 /nfs/dbraw/zinc/17/88/69/792178869.db2.gz KDVVLGJUCIXKKH-ZIAGYGMSSA-N 1 2 338.408 -1.682 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)C1 ZINC001099802008 792180732 /nfs/dbraw/zinc/18/07/32/792180732.db2.gz NWEKYDUQTGPYLC-CHWSQXEVSA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)C1 ZINC001099802008 792180724 /nfs/dbraw/zinc/18/07/24/792180724.db2.gz NWEKYDUQTGPYLC-CHWSQXEVSA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)C1 ZINC001099802009 792181235 /nfs/dbraw/zinc/18/12/35/792181235.db2.gz NWEKYDUQTGPYLC-OLZOCXBDSA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)C1 ZINC001099802009 792181226 /nfs/dbraw/zinc/18/12/26/792181226.db2.gz NWEKYDUQTGPYLC-OLZOCXBDSA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)C1 ZINC001099802010 792180684 /nfs/dbraw/zinc/18/06/84/792180684.db2.gz NWEKYDUQTGPYLC-QWHCGFSZSA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)C1 ZINC001099802010 792180677 /nfs/dbraw/zinc/18/06/77/792180677.db2.gz NWEKYDUQTGPYLC-QWHCGFSZSA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)C1 ZINC001099802011 792181815 /nfs/dbraw/zinc/18/18/15/792181815.db2.gz NWEKYDUQTGPYLC-STQMWFEESA-N 1 2 337.380 -2.344 20 30 EAEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)C1 ZINC001099802011 792181806 /nfs/dbraw/zinc/18/18/06/792181806.db2.gz NWEKYDUQTGPYLC-STQMWFEESA-N 1 2 337.380 -2.344 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802332 792180860 /nfs/dbraw/zinc/18/08/60/792180860.db2.gz UCSGGRRYTPDBOZ-NEPJUHHUSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802332 792180854 /nfs/dbraw/zinc/18/08/54/792180854.db2.gz UCSGGRRYTPDBOZ-NEPJUHHUSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802333 792181386 /nfs/dbraw/zinc/18/13/86/792181386.db2.gz UCSGGRRYTPDBOZ-NWDGAFQWSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802333 792181374 /nfs/dbraw/zinc/18/13/74/792181374.db2.gz UCSGGRRYTPDBOZ-NWDGAFQWSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802334 792180660 /nfs/dbraw/zinc/18/06/60/792180660.db2.gz UCSGGRRYTPDBOZ-RYUDHWBXSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802334 792180652 /nfs/dbraw/zinc/18/06/52/792180652.db2.gz UCSGGRRYTPDBOZ-RYUDHWBXSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802335 792182204 /nfs/dbraw/zinc/18/22/04/792182204.db2.gz UCSGGRRYTPDBOZ-VXGBXAGGSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802335 792182203 /nfs/dbraw/zinc/18/22/03/792182203.db2.gz UCSGGRRYTPDBOZ-VXGBXAGGSA-N 1 2 335.364 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802580 792181859 /nfs/dbraw/zinc/18/18/59/792181859.db2.gz XZJMQEMIEFNBFE-NEPJUHHUSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802580 792181849 /nfs/dbraw/zinc/18/18/49/792181849.db2.gz XZJMQEMIEFNBFE-NEPJUHHUSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802581 792181337 /nfs/dbraw/zinc/18/13/37/792181337.db2.gz XZJMQEMIEFNBFE-NWDGAFQWSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802581 792181329 /nfs/dbraw/zinc/18/13/29/792181329.db2.gz XZJMQEMIEFNBFE-NWDGAFQWSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802582 792180912 /nfs/dbraw/zinc/18/09/12/792180912.db2.gz XZJMQEMIEFNBFE-RYUDHWBXSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001099802582 792180908 /nfs/dbraw/zinc/18/09/08/792180908.db2.gz XZJMQEMIEFNBFE-RYUDHWBXSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802583 792181185 /nfs/dbraw/zinc/18/11/85/792181185.db2.gz XZJMQEMIEFNBFE-VXGBXAGGSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 ZINC001099802583 792181179 /nfs/dbraw/zinc/18/11/79/792181179.db2.gz XZJMQEMIEFNBFE-VXGBXAGGSA-N 1 2 337.380 -1.226 20 30 EAEDLO N#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804400 792183520 /nfs/dbraw/zinc/18/35/20/792183520.db2.gz MWPYSWFAFQHCCO-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)CN1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804401 792183461 /nfs/dbraw/zinc/18/34/61/792183461.db2.gz MWPYSWFAFQHCCO-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)CN1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804402 792184441 /nfs/dbraw/zinc/18/44/41/792184441.db2.gz MWPYSWFAFQHCCO-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804403 792184610 /nfs/dbraw/zinc/18/46/10/792184610.db2.gz MWPYSWFAFQHCCO-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099805084 792184699 /nfs/dbraw/zinc/18/46/99/792184699.db2.gz WSKRPOPUWZCJIN-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099805084 792184696 /nfs/dbraw/zinc/18/46/96/792184696.db2.gz WSKRPOPUWZCJIN-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099805085 792183777 /nfs/dbraw/zinc/18/37/77/792183777.db2.gz WSKRPOPUWZCJIN-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099805085 792183774 /nfs/dbraw/zinc/18/37/74/792183774.db2.gz WSKRPOPUWZCJIN-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099805086 792182778 /nfs/dbraw/zinc/18/27/78/792182778.db2.gz WSKRPOPUWZCJIN-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099805086 792182769 /nfs/dbraw/zinc/18/27/69/792182769.db2.gz WSKRPOPUWZCJIN-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099805087 792183394 /nfs/dbraw/zinc/18/33/94/792183394.db2.gz WSKRPOPUWZCJIN-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099805087 792183388 /nfs/dbraw/zinc/18/33/88/792183388.db2.gz WSKRPOPUWZCJIN-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807010 792183018 /nfs/dbraw/zinc/18/30/18/792183018.db2.gz JOTAIWFIZMKVCN-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807010 792183010 /nfs/dbraw/zinc/18/30/10/792183010.db2.gz JOTAIWFIZMKVCN-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807011 792184426 /nfs/dbraw/zinc/18/44/26/792184426.db2.gz JOTAIWFIZMKVCN-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807011 792184417 /nfs/dbraw/zinc/18/44/17/792184417.db2.gz JOTAIWFIZMKVCN-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807012 792183851 /nfs/dbraw/zinc/18/38/51/792183851.db2.gz JOTAIWFIZMKVCN-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807012 792183839 /nfs/dbraw/zinc/18/38/39/792183839.db2.gz JOTAIWFIZMKVCN-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807013 792183550 /nfs/dbraw/zinc/18/35/50/792183550.db2.gz JOTAIWFIZMKVCN-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807013 792183546 /nfs/dbraw/zinc/18/35/46/792183546.db2.gz JOTAIWFIZMKVCN-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807046 792183343 /nfs/dbraw/zinc/18/33/43/792183343.db2.gz KBQKOWWRRBRKNX-AAEUAGOBSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807046 792183339 /nfs/dbraw/zinc/18/33/39/792183339.db2.gz KBQKOWWRRBRKNX-AAEUAGOBSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807047 792183685 /nfs/dbraw/zinc/18/36/85/792183685.db2.gz KBQKOWWRRBRKNX-DGCLKSJQSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807047 792183678 /nfs/dbraw/zinc/18/36/78/792183678.db2.gz KBQKOWWRRBRKNX-DGCLKSJQSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807048 792183315 /nfs/dbraw/zinc/18/33/15/792183315.db2.gz KBQKOWWRRBRKNX-WCQYABFASA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@H](O)C1 ZINC001099807048 792183310 /nfs/dbraw/zinc/18/33/10/792183310.db2.gz KBQKOWWRRBRKNX-WCQYABFASA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807049 792184648 /nfs/dbraw/zinc/18/46/48/792184648.db2.gz KBQKOWWRRBRKNX-YPMHNXCESA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 ZINC001099807049 792184644 /nfs/dbraw/zinc/18/46/44/792184644.db2.gz KBQKOWWRRBRKNX-YPMHNXCESA-N 1 2 334.380 -1.788 20 30 EAEDLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099807458 792184604 /nfs/dbraw/zinc/18/46/04/792184604.db2.gz QJJIJVGSTAFERK-CMPLNLGQSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099807458 792184598 /nfs/dbraw/zinc/18/45/98/792184598.db2.gz QJJIJVGSTAFERK-CMPLNLGQSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099807459 792184236 /nfs/dbraw/zinc/18/42/36/792184236.db2.gz QJJIJVGSTAFERK-JQWIXIFHSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099807459 792184227 /nfs/dbraw/zinc/18/42/27/792184227.db2.gz QJJIJVGSTAFERK-JQWIXIFHSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099807460 792182953 /nfs/dbraw/zinc/18/29/53/792182953.db2.gz QJJIJVGSTAFERK-PWSUYJOCSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099807460 792182948 /nfs/dbraw/zinc/18/29/48/792182948.db2.gz QJJIJVGSTAFERK-PWSUYJOCSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099807461 792184305 /nfs/dbraw/zinc/18/43/05/792184305.db2.gz QJJIJVGSTAFERK-ZYHUDNBSSA-N 1 2 335.368 -1.897 20 30 EAEDLO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099807461 792184300 /nfs/dbraw/zinc/18/43/00/792184300.db2.gz QJJIJVGSTAFERK-ZYHUDNBSSA-N 1 2 335.368 -1.897 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001099809330 792186255 /nfs/dbraw/zinc/18/62/55/792186255.db2.gz GLNHXPSAJKCQCP-GHMZBOCLSA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001099809330 792186252 /nfs/dbraw/zinc/18/62/52/792186252.db2.gz GLNHXPSAJKCQCP-GHMZBOCLSA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001099809331 792186273 /nfs/dbraw/zinc/18/62/73/792186273.db2.gz GLNHXPSAJKCQCP-MNOVXSKESA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001099809331 792186269 /nfs/dbraw/zinc/18/62/69/792186269.db2.gz GLNHXPSAJKCQCP-MNOVXSKESA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001099809332 792186720 /nfs/dbraw/zinc/18/67/20/792186720.db2.gz GLNHXPSAJKCQCP-QWRGUYRKSA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001099809332 792186717 /nfs/dbraw/zinc/18/67/17/792186717.db2.gz GLNHXPSAJKCQCP-QWRGUYRKSA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001099809333 792186167 /nfs/dbraw/zinc/18/61/67/792186167.db2.gz GLNHXPSAJKCQCP-WDEREUQCSA-N 1 2 335.368 -2.153 20 30 EAEDLO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001099809333 792186165 /nfs/dbraw/zinc/18/61/65/792186165.db2.gz GLNHXPSAJKCQCP-WDEREUQCSA-N 1 2 335.368 -2.153 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001099811042 792186089 /nfs/dbraw/zinc/18/60/89/792186089.db2.gz VTPUOIJQVCTUPA-NEPJUHHUSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001099811042 792186085 /nfs/dbraw/zinc/18/60/85/792186085.db2.gz VTPUOIJQVCTUPA-NEPJUHHUSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001099811043 792186072 /nfs/dbraw/zinc/18/60/72/792186072.db2.gz VTPUOIJQVCTUPA-NWDGAFQWSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001099811043 792186068 /nfs/dbraw/zinc/18/60/68/792186068.db2.gz VTPUOIJQVCTUPA-NWDGAFQWSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001099811044 792185636 /nfs/dbraw/zinc/18/56/36/792185636.db2.gz VTPUOIJQVCTUPA-RYUDHWBXSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001099811044 792185631 /nfs/dbraw/zinc/18/56/31/792185631.db2.gz VTPUOIJQVCTUPA-RYUDHWBXSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001099811045 792186203 /nfs/dbraw/zinc/18/62/03/792186203.db2.gz VTPUOIJQVCTUPA-VXGBXAGGSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001099811045 792186201 /nfs/dbraw/zinc/18/62/01/792186201.db2.gz VTPUOIJQVCTUPA-VXGBXAGGSA-N 1 2 334.380 -2.044 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099812134 792186137 /nfs/dbraw/zinc/18/61/37/792186137.db2.gz BKIDAXABZCKYHH-NEPJUHHUSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099812134 792186135 /nfs/dbraw/zinc/18/61/35/792186135.db2.gz BKIDAXABZCKYHH-NEPJUHHUSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099812135 792186392 /nfs/dbraw/zinc/18/63/92/792186392.db2.gz BKIDAXABZCKYHH-NWDGAFQWSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099812135 792186389 /nfs/dbraw/zinc/18/63/89/792186389.db2.gz BKIDAXABZCKYHH-NWDGAFQWSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099812136 792185611 /nfs/dbraw/zinc/18/56/11/792185611.db2.gz BKIDAXABZCKYHH-RYUDHWBXSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099812136 792185609 /nfs/dbraw/zinc/18/56/09/792185609.db2.gz BKIDAXABZCKYHH-RYUDHWBXSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099812137 792186053 /nfs/dbraw/zinc/18/60/53/792186053.db2.gz BKIDAXABZCKYHH-VXGBXAGGSA-N 1 2 339.396 -2.394 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099812137 792186048 /nfs/dbraw/zinc/18/60/48/792186048.db2.gz BKIDAXABZCKYHH-VXGBXAGGSA-N 1 2 339.396 -2.394 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812146 792186633 /nfs/dbraw/zinc/18/66/33/792186633.db2.gz BLTXYZKEMACSPW-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812146 792186626 /nfs/dbraw/zinc/18/66/26/792186626.db2.gz BLTXYZKEMACSPW-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812147 792185417 /nfs/dbraw/zinc/18/54/17/792185417.db2.gz BLTXYZKEMACSPW-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812147 792185409 /nfs/dbraw/zinc/18/54/09/792185409.db2.gz BLTXYZKEMACSPW-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812148 792186170 /nfs/dbraw/zinc/18/61/70/792186170.db2.gz BLTXYZKEMACSPW-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812148 792186169 /nfs/dbraw/zinc/18/61/69/792186169.db2.gz BLTXYZKEMACSPW-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812149 792185262 /nfs/dbraw/zinc/18/52/62/792185262.db2.gz BLTXYZKEMACSPW-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812149 792185253 /nfs/dbraw/zinc/18/52/53/792185253.db2.gz BLTXYZKEMACSPW-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812554 792185223 /nfs/dbraw/zinc/18/52/23/792185223.db2.gz FYUZXNOUEFCZLI-GHMZBOCLSA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812554 792185217 /nfs/dbraw/zinc/18/52/17/792185217.db2.gz FYUZXNOUEFCZLI-GHMZBOCLSA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812555 792186146 /nfs/dbraw/zinc/18/61/46/792186146.db2.gz FYUZXNOUEFCZLI-MNOVXSKESA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812555 792186142 /nfs/dbraw/zinc/18/61/42/792186142.db2.gz FYUZXNOUEFCZLI-MNOVXSKESA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812556 792186161 /nfs/dbraw/zinc/18/61/61/792186161.db2.gz FYUZXNOUEFCZLI-QWRGUYRKSA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099812556 792186160 /nfs/dbraw/zinc/18/61/60/792186160.db2.gz FYUZXNOUEFCZLI-QWRGUYRKSA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812557 792186173 /nfs/dbraw/zinc/18/61/73/792186173.db2.gz FYUZXNOUEFCZLI-WDEREUQCSA-N 1 2 340.384 -2.503 20 30 EAEDLO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099812557 792186172 /nfs/dbraw/zinc/18/61/72/792186172.db2.gz FYUZXNOUEFCZLI-WDEREUQCSA-N 1 2 340.384 -2.503 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001099812779 792186120 /nfs/dbraw/zinc/18/61/20/792186120.db2.gz HSASBBALCRASOK-AAEUAGOBSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001099812779 792186118 /nfs/dbraw/zinc/18/61/18/792186118.db2.gz HSASBBALCRASOK-AAEUAGOBSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001099812781 792186369 /nfs/dbraw/zinc/18/63/69/792186369.db2.gz HSASBBALCRASOK-DGCLKSJQSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001099812781 792186365 /nfs/dbraw/zinc/18/63/65/792186365.db2.gz HSASBBALCRASOK-DGCLKSJQSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001099812783 792185807 /nfs/dbraw/zinc/18/58/07/792185807.db2.gz HSASBBALCRASOK-WCQYABFASA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001099812783 792185803 /nfs/dbraw/zinc/18/58/03/792185803.db2.gz HSASBBALCRASOK-WCQYABFASA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001099812784 792185893 /nfs/dbraw/zinc/18/58/93/792185893.db2.gz HSASBBALCRASOK-YPMHNXCESA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001099812784 792185889 /nfs/dbraw/zinc/18/58/89/792185889.db2.gz HSASBBALCRASOK-YPMHNXCESA-N 1 2 332.364 -1.410 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nn2)[C@H](O)C1 ZINC001099813158 792188362 /nfs/dbraw/zinc/18/83/62/792188362.db2.gz KUOIKLRXJMLTPU-GXTWGEPZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nn2)[C@H](O)C1 ZINC001099813158 792188360 /nfs/dbraw/zinc/18/83/60/792188360.db2.gz KUOIKLRXJMLTPU-GXTWGEPZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001099813159 792187901 /nfs/dbraw/zinc/18/79/01/792187901.db2.gz KUOIKLRXJMLTPU-JSGCOSHPSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001099813159 792187893 /nfs/dbraw/zinc/18/78/93/792187893.db2.gz KUOIKLRXJMLTPU-JSGCOSHPSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001099813160 792187539 /nfs/dbraw/zinc/18/75/39/792187539.db2.gz KUOIKLRXJMLTPU-OCCSQVGLSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001099813160 792187534 /nfs/dbraw/zinc/18/75/34/792187534.db2.gz KUOIKLRXJMLTPU-OCCSQVGLSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nn2)[C@H](O)C1 ZINC001099813161 792188098 /nfs/dbraw/zinc/18/80/98/792188098.db2.gz KUOIKLRXJMLTPU-TZMCWYRMSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nn2)[C@H](O)C1 ZINC001099813161 792188094 /nfs/dbraw/zinc/18/80/94/792188094.db2.gz KUOIKLRXJMLTPU-TZMCWYRMSA-N 1 2 331.376 -1.301 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813946 792190016 /nfs/dbraw/zinc/19/00/16/792190016.db2.gz XHQRFCSRFYWNMW-NEPJUHHUSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813946 792190011 /nfs/dbraw/zinc/19/00/11/792190011.db2.gz XHQRFCSRFYWNMW-NEPJUHHUSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813947 792190133 /nfs/dbraw/zinc/19/01/33/792190133.db2.gz XHQRFCSRFYWNMW-NWDGAFQWSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813947 792190130 /nfs/dbraw/zinc/19/01/30/792190130.db2.gz XHQRFCSRFYWNMW-NWDGAFQWSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813948 792189424 /nfs/dbraw/zinc/18/94/24/792189424.db2.gz XHQRFCSRFYWNMW-RYUDHWBXSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813948 792189419 /nfs/dbraw/zinc/18/94/19/792189419.db2.gz XHQRFCSRFYWNMW-RYUDHWBXSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813949 792189182 /nfs/dbraw/zinc/18/91/82/792189182.db2.gz XHQRFCSRFYWNMW-VXGBXAGGSA-N 1 2 341.412 -1.841 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813949 792189176 /nfs/dbraw/zinc/18/91/76/792189176.db2.gz XHQRFCSRFYWNMW-VXGBXAGGSA-N 1 2 341.412 -1.841 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)[C@H](O)C1 ZINC001099814054 792189924 /nfs/dbraw/zinc/18/99/24/792189924.db2.gz YUYUCIIGCGAYEA-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)[C@H](O)C1 ZINC001099814054 792189918 /nfs/dbraw/zinc/18/99/18/792189918.db2.gz YUYUCIIGCGAYEA-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001099814055 792190489 /nfs/dbraw/zinc/19/04/89/792190489.db2.gz YUYUCIIGCGAYEA-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001099814055 792190483 /nfs/dbraw/zinc/19/04/83/792190483.db2.gz YUYUCIIGCGAYEA-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)[C@H](O)C1 ZINC001099814056 792189635 /nfs/dbraw/zinc/18/96/35/792189635.db2.gz YUYUCIIGCGAYEA-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)[C@H](O)C1 ZINC001099814056 792189633 /nfs/dbraw/zinc/18/96/33/792189633.db2.gz YUYUCIIGCGAYEA-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001099814057 792189212 /nfs/dbraw/zinc/18/92/12/792189212.db2.gz YUYUCIIGCGAYEA-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001099814057 792189204 /nfs/dbraw/zinc/18/92/04/792189204.db2.gz YUYUCIIGCGAYEA-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815258 792189661 /nfs/dbraw/zinc/18/96/61/792189661.db2.gz DPBHRBUHEIWUIE-KBPBESRZSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815258 792189658 /nfs/dbraw/zinc/18/96/58/792189658.db2.gz DPBHRBUHEIWUIE-KBPBESRZSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815259 792189753 /nfs/dbraw/zinc/18/97/53/792189753.db2.gz DPBHRBUHEIWUIE-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815259 792189752 /nfs/dbraw/zinc/18/97/52/792189752.db2.gz DPBHRBUHEIWUIE-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815260 792189520 /nfs/dbraw/zinc/18/95/20/792189520.db2.gz DPBHRBUHEIWUIE-UONOGXRCSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815260 792189511 /nfs/dbraw/zinc/18/95/11/792189511.db2.gz DPBHRBUHEIWUIE-UONOGXRCSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815261 792189559 /nfs/dbraw/zinc/18/95/59/792189559.db2.gz DPBHRBUHEIWUIE-ZIAGYGMSSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815261 792189553 /nfs/dbraw/zinc/18/95/53/792189553.db2.gz DPBHRBUHEIWUIE-ZIAGYGMSSA-N 1 2 335.408 -1.184 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815314 792189705 /nfs/dbraw/zinc/18/97/05/792189705.db2.gz FQIBLJHYYGJLDJ-KBPBESRZSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815314 792189701 /nfs/dbraw/zinc/18/97/01/792189701.db2.gz FQIBLJHYYGJLDJ-KBPBESRZSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815315 792190290 /nfs/dbraw/zinc/19/02/90/792190290.db2.gz FQIBLJHYYGJLDJ-KGLIPLIRSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001099815315 792190285 /nfs/dbraw/zinc/19/02/85/792190285.db2.gz FQIBLJHYYGJLDJ-KGLIPLIRSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815316 792190599 /nfs/dbraw/zinc/19/05/99/792190599.db2.gz FQIBLJHYYGJLDJ-UONOGXRCSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815316 792190595 /nfs/dbraw/zinc/19/05/95/792190595.db2.gz FQIBLJHYYGJLDJ-UONOGXRCSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815317 792189783 /nfs/dbraw/zinc/18/97/83/792189783.db2.gz FQIBLJHYYGJLDJ-ZIAGYGMSSA-N 1 2 333.392 -1.737 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001099815317 792189780 /nfs/dbraw/zinc/18/97/80/792189780.db2.gz FQIBLJHYYGJLDJ-ZIAGYGMSSA-N 1 2 333.392 -1.737 20 30 EAEDLO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099816282 792189869 /nfs/dbraw/zinc/18/98/69/792189869.db2.gz VQXXEKAUURTESF-CHWSQXEVSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099816282 792189864 /nfs/dbraw/zinc/18/98/64/792189864.db2.gz VQXXEKAUURTESF-CHWSQXEVSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099816283 792189985 /nfs/dbraw/zinc/18/99/85/792189985.db2.gz VQXXEKAUURTESF-OLZOCXBDSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099816283 792189981 /nfs/dbraw/zinc/18/99/81/792189981.db2.gz VQXXEKAUURTESF-OLZOCXBDSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099816284 792190324 /nfs/dbraw/zinc/19/03/24/792190324.db2.gz VQXXEKAUURTESF-QWHCGFSZSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099816284 792190315 /nfs/dbraw/zinc/19/03/15/792190315.db2.gz VQXXEKAUURTESF-QWHCGFSZSA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099816285 792189546 /nfs/dbraw/zinc/18/95/46/792189546.db2.gz VQXXEKAUURTESF-STQMWFEESA-N 1 2 334.380 -1.846 20 30 EAEDLO Cn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099816285 792189543 /nfs/dbraw/zinc/18/95/43/792189543.db2.gz VQXXEKAUURTESF-STQMWFEESA-N 1 2 334.380 -1.846 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099820514 792190454 /nfs/dbraw/zinc/19/04/54/792190454.db2.gz GTGFTLQZUVYCCT-CHWSQXEVSA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099820514 792190448 /nfs/dbraw/zinc/19/04/48/792190448.db2.gz GTGFTLQZUVYCCT-CHWSQXEVSA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099820515 792189674 /nfs/dbraw/zinc/18/96/74/792189674.db2.gz GTGFTLQZUVYCCT-OLZOCXBDSA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099820515 792189672 /nfs/dbraw/zinc/18/96/72/792189672.db2.gz GTGFTLQZUVYCCT-OLZOCXBDSA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099820516 792189580 /nfs/dbraw/zinc/18/95/80/792189580.db2.gz GTGFTLQZUVYCCT-QWHCGFSZSA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099820516 792189574 /nfs/dbraw/zinc/18/95/74/792189574.db2.gz GTGFTLQZUVYCCT-QWHCGFSZSA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099820517 792189827 /nfs/dbraw/zinc/18/98/27/792189827.db2.gz GTGFTLQZUVYCCT-STQMWFEESA-N 1 2 331.438 -1.254 20 30 EAEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099820517 792189823 /nfs/dbraw/zinc/18/98/23/792189823.db2.gz GTGFTLQZUVYCCT-STQMWFEESA-N 1 2 331.438 -1.254 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826116 792192386 /nfs/dbraw/zinc/19/23/86/792192386.db2.gz GPVUUVUXNTTXHX-KBPBESRZSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826116 792192377 /nfs/dbraw/zinc/19/23/77/792192377.db2.gz GPVUUVUXNTTXHX-KBPBESRZSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826117 792191281 /nfs/dbraw/zinc/19/12/81/792191281.db2.gz GPVUUVUXNTTXHX-KGLIPLIRSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826117 792191272 /nfs/dbraw/zinc/19/12/72/792191272.db2.gz GPVUUVUXNTTXHX-KGLIPLIRSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826118 792192007 /nfs/dbraw/zinc/19/20/07/792192007.db2.gz GPVUUVUXNTTXHX-UONOGXRCSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826118 792192000 /nfs/dbraw/zinc/19/20/00/792192000.db2.gz GPVUUVUXNTTXHX-UONOGXRCSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826119 792192706 /nfs/dbraw/zinc/19/27/06/792192706.db2.gz GPVUUVUXNTTXHX-ZIAGYGMSSA-N 1 2 348.403 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826119 792192702 /nfs/dbraw/zinc/19/27/02/792192702.db2.gz GPVUUVUXNTTXHX-ZIAGYGMSSA-N 1 2 348.403 -1.037 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099826128 792191897 /nfs/dbraw/zinc/19/18/97/792191897.db2.gz GRFIAPVZCODVMN-CABCVRRESA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099826128 792191889 /nfs/dbraw/zinc/19/18/89/792191889.db2.gz GRFIAPVZCODVMN-CABCVRRESA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099826129 792192277 /nfs/dbraw/zinc/19/22/77/792192277.db2.gz GRFIAPVZCODVMN-GJZGRUSLSA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099826129 792192272 /nfs/dbraw/zinc/19/22/72/792192272.db2.gz GRFIAPVZCODVMN-GJZGRUSLSA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099826130 792191957 /nfs/dbraw/zinc/19/19/57/792191957.db2.gz GRFIAPVZCODVMN-HUUCEWRRSA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099826130 792191955 /nfs/dbraw/zinc/19/19/55/792191955.db2.gz GRFIAPVZCODVMN-HUUCEWRRSA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099826131 792191325 /nfs/dbraw/zinc/19/13/25/792191325.db2.gz GRFIAPVZCODVMN-LSDHHAIUSA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099826131 792191322 /nfs/dbraw/zinc/19/13/22/792191322.db2.gz GRFIAPVZCODVMN-LSDHHAIUSA-N 1 2 335.404 -1.190 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099826308 792191104 /nfs/dbraw/zinc/19/11/04/792191104.db2.gz JHLRSQCWQNFESX-KBPBESRZSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099826308 792191095 /nfs/dbraw/zinc/19/10/95/792191095.db2.gz JHLRSQCWQNFESX-KBPBESRZSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099826309 792191753 /nfs/dbraw/zinc/19/17/53/792191753.db2.gz JHLRSQCWQNFESX-KGLIPLIRSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC001099826309 792191748 /nfs/dbraw/zinc/19/17/48/792191748.db2.gz JHLRSQCWQNFESX-KGLIPLIRSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099826310 792191988 /nfs/dbraw/zinc/19/19/88/792191988.db2.gz JHLRSQCWQNFESX-UONOGXRCSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099826310 792191984 /nfs/dbraw/zinc/19/19/84/792191984.db2.gz JHLRSQCWQNFESX-UONOGXRCSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099826311 792191676 /nfs/dbraw/zinc/19/16/76/792191676.db2.gz JHLRSQCWQNFESX-ZIAGYGMSSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001099826311 792191672 /nfs/dbraw/zinc/19/16/72/792191672.db2.gz JHLRSQCWQNFESX-ZIAGYGMSSA-N 1 2 348.403 -1.061 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001099826508 792191588 /nfs/dbraw/zinc/19/15/88/792191588.db2.gz MBKFNPQSRMBYLI-KBPBESRZSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001099826508 792191585 /nfs/dbraw/zinc/19/15/85/792191585.db2.gz MBKFNPQSRMBYLI-KBPBESRZSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001099826509 792191068 /nfs/dbraw/zinc/19/10/68/792191068.db2.gz MBKFNPQSRMBYLI-KGLIPLIRSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001099826509 792191060 /nfs/dbraw/zinc/19/10/60/792191060.db2.gz MBKFNPQSRMBYLI-KGLIPLIRSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001099826510 792191377 /nfs/dbraw/zinc/19/13/77/792191377.db2.gz MBKFNPQSRMBYLI-UONOGXRCSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001099826510 792191373 /nfs/dbraw/zinc/19/13/73/792191373.db2.gz MBKFNPQSRMBYLI-UONOGXRCSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001099826511 792191576 /nfs/dbraw/zinc/19/15/76/792191576.db2.gz MBKFNPQSRMBYLI-ZIAGYGMSSA-N 1 2 348.403 -2.090 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001099826511 792191571 /nfs/dbraw/zinc/19/15/71/792191571.db2.gz MBKFNPQSRMBYLI-ZIAGYGMSSA-N 1 2 348.403 -2.090 20 30 EAEDLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826528 786337684 /nfs/dbraw/zinc/33/76/84/786337684.db2.gz MHEGBAGGOKJSCD-KBPBESRZSA-N 1 2 343.449 -1.110 20 30 EAEDLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826528 786337679 /nfs/dbraw/zinc/33/76/79/786337679.db2.gz MHEGBAGGOKJSCD-KBPBESRZSA-N 1 2 343.449 -1.110 20 30 EAEDLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826529 786336786 /nfs/dbraw/zinc/33/67/86/786336786.db2.gz MHEGBAGGOKJSCD-KGLIPLIRSA-N 1 2 343.449 -1.110 20 30 EAEDLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001099826529 786336779 /nfs/dbraw/zinc/33/67/79/786336779.db2.gz MHEGBAGGOKJSCD-KGLIPLIRSA-N 1 2 343.449 -1.110 20 30 EAEDLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826530 786337077 /nfs/dbraw/zinc/33/70/77/786337077.db2.gz MHEGBAGGOKJSCD-UONOGXRCSA-N 1 2 343.449 -1.110 20 30 EAEDLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826530 786337070 /nfs/dbraw/zinc/33/70/70/786337070.db2.gz MHEGBAGGOKJSCD-UONOGXRCSA-N 1 2 343.449 -1.110 20 30 EAEDLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 ZINC001099826531 786337288 /nfs/dbraw/zinc/33/72/88/786337288.db2.gz MHEGBAGGOKJSCD-ZIAGYGMSSA-N 1 2 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ZINC001099837810 792193554 /nfs/dbraw/zinc/19/35/54/792193554.db2.gz CNEXDDPJEWLZNT-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC001099837810 792193550 /nfs/dbraw/zinc/19/35/50/792193550.db2.gz CNEXDDPJEWLZNT-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001099837811 792194622 /nfs/dbraw/zinc/19/46/22/792194622.db2.gz CNEXDDPJEWLZNT-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001099837811 792194614 /nfs/dbraw/zinc/19/46/14/792194614.db2.gz CNEXDDPJEWLZNT-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838240 792196377 /nfs/dbraw/zinc/19/63/77/792196377.db2.gz KOQRTPPQXOQWMD-NEPJUHHUSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838240 792196371 /nfs/dbraw/zinc/19/63/71/792196371.db2.gz KOQRTPPQXOQWMD-NEPJUHHUSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838241 792196837 /nfs/dbraw/zinc/19/68/37/792196837.db2.gz KOQRTPPQXOQWMD-NWDGAFQWSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838241 792196833 /nfs/dbraw/zinc/19/68/33/792196833.db2.gz KOQRTPPQXOQWMD-NWDGAFQWSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838242 792197158 /nfs/dbraw/zinc/19/71/58/792197158.db2.gz KOQRTPPQXOQWMD-RYUDHWBXSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838242 792197156 /nfs/dbraw/zinc/19/71/56/792197156.db2.gz KOQRTPPQXOQWMD-RYUDHWBXSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838243 792197001 /nfs/dbraw/zinc/19/70/01/792197001.db2.gz KOQRTPPQXOQWMD-VXGBXAGGSA-N 1 2 347.362 -1.041 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838243 792196998 /nfs/dbraw/zinc/19/69/98/792196998.db2.gz KOQRTPPQXOQWMD-VXGBXAGGSA-N 1 2 347.362 -1.041 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838496 786339264 /nfs/dbraw/zinc/33/92/64/786339264.db2.gz OGNUVZKMYLKIMR-GHMZBOCLSA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838496 786339261 /nfs/dbraw/zinc/33/92/61/786339261.db2.gz OGNUVZKMYLKIMR-GHMZBOCLSA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838497 786338615 /nfs/dbraw/zinc/33/86/15/786338615.db2.gz OGNUVZKMYLKIMR-MNOVXSKESA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838497 786338611 /nfs/dbraw/zinc/33/86/11/786338611.db2.gz OGNUVZKMYLKIMR-MNOVXSKESA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838498 786339152 /nfs/dbraw/zinc/33/91/52/786339152.db2.gz OGNUVZKMYLKIMR-QWRGUYRKSA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@@H](O)C1 ZINC001099838498 786339148 /nfs/dbraw/zinc/33/91/48/786339148.db2.gz OGNUVZKMYLKIMR-QWRGUYRKSA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838499 786338984 /nfs/dbraw/zinc/33/89/84/786338984.db2.gz OGNUVZKMYLKIMR-WDEREUQCSA-N 1 2 348.350 -1.151 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC(F)F)[C@H](O)C1 ZINC001099838499 786338977 /nfs/dbraw/zinc/33/89/77/786338977.db2.gz OGNUVZKMYLKIMR-WDEREUQCSA-N 1 2 348.350 -1.151 20 30 EAEDLO CCn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099838632 792197116 /nfs/dbraw/zinc/19/71/16/792197116.db2.gz PXYIRDHPTWMERE-KBPBESRZSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099838632 792197113 /nfs/dbraw/zinc/19/71/13/792197113.db2.gz PXYIRDHPTWMERE-KBPBESRZSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099838633 792195825 /nfs/dbraw/zinc/19/58/25/792195825.db2.gz PXYIRDHPTWMERE-KGLIPLIRSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099838633 792195822 /nfs/dbraw/zinc/19/58/22/792195822.db2.gz PXYIRDHPTWMERE-KGLIPLIRSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099838634 792196264 /nfs/dbraw/zinc/19/62/64/792196264.db2.gz PXYIRDHPTWMERE-UONOGXRCSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099838634 792196259 /nfs/dbraw/zinc/19/62/59/792196259.db2.gz PXYIRDHPTWMERE-UONOGXRCSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099838635 792196874 /nfs/dbraw/zinc/19/68/74/792196874.db2.gz PXYIRDHPTWMERE-ZIAGYGMSSA-N 1 2 348.407 -1.363 20 30 EAEDLO CCn1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099838635 792196870 /nfs/dbraw/zinc/19/68/70/792196870.db2.gz PXYIRDHPTWMERE-ZIAGYGMSSA-N 1 2 348.407 -1.363 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099838736 792196859 /nfs/dbraw/zinc/19/68/59/792196859.db2.gz RUYBRYHCUYOHBL-CMPLNLGQSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099838736 792196854 /nfs/dbraw/zinc/19/68/54/792196854.db2.gz RUYBRYHCUYOHBL-CMPLNLGQSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099838737 792196557 /nfs/dbraw/zinc/19/65/57/792196557.db2.gz RUYBRYHCUYOHBL-JQWIXIFHSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099838737 792196547 /nfs/dbraw/zinc/19/65/47/792196547.db2.gz RUYBRYHCUYOHBL-JQWIXIFHSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099838738 792196021 /nfs/dbraw/zinc/19/60/21/792196021.db2.gz RUYBRYHCUYOHBL-PWSUYJOCSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ncn1 ZINC001099838738 792196016 /nfs/dbraw/zinc/19/60/16/792196016.db2.gz RUYBRYHCUYOHBL-PWSUYJOCSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099838739 792196721 /nfs/dbraw/zinc/19/67/21/792196721.db2.gz RUYBRYHCUYOHBL-ZYHUDNBSSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ncn1 ZINC001099838739 792196714 /nfs/dbraw/zinc/19/67/14/792196714.db2.gz RUYBRYHCUYOHBL-ZYHUDNBSSA-N 1 2 348.363 -1.710 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](O)C1 ZINC001099838768 792195906 /nfs/dbraw/zinc/19/59/06/792195906.db2.gz SSKDOSKOIQCLRG-CABCVRRESA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](O)C1 ZINC001099838768 792195904 /nfs/dbraw/zinc/19/59/04/792195904.db2.gz SSKDOSKOIQCLRG-CABCVRRESA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(CC)n2)[C@@H](O)C1 ZINC001099838769 792195779 /nfs/dbraw/zinc/19/57/79/792195779.db2.gz SSKDOSKOIQCLRG-GJZGRUSLSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(CC)n2)[C@@H](O)C1 ZINC001099838769 792195776 /nfs/dbraw/zinc/19/57/76/792195776.db2.gz SSKDOSKOIQCLRG-GJZGRUSLSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(CC)n2)[C@H](O)C1 ZINC001099838770 792195598 /nfs/dbraw/zinc/19/55/98/792195598.db2.gz SSKDOSKOIQCLRG-HUUCEWRRSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(CC)n2)[C@H](O)C1 ZINC001099838770 792195593 /nfs/dbraw/zinc/19/55/93/792195593.db2.gz SSKDOSKOIQCLRG-HUUCEWRRSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(CC)n2)[C@H](O)C1 ZINC001099838771 792196650 /nfs/dbraw/zinc/19/66/50/792196650.db2.gz SSKDOSKOIQCLRG-LSDHHAIUSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(CC)n2)[C@H](O)C1 ZINC001099838771 792196644 /nfs/dbraw/zinc/19/66/44/792196644.db2.gz SSKDOSKOIQCLRG-LSDHHAIUSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001099838916 792196182 /nfs/dbraw/zinc/19/61/82/792196182.db2.gz VIJWBQQJCPAHFX-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001099838916 792196177 /nfs/dbraw/zinc/19/61/77/792196177.db2.gz VIJWBQQJCPAHFX-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC001099838917 792196626 /nfs/dbraw/zinc/19/66/26/792196626.db2.gz VIJWBQQJCPAHFX-DGCLKSJQSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC001099838917 792196618 /nfs/dbraw/zinc/19/66/18/792196618.db2.gz VIJWBQQJCPAHFX-DGCLKSJQSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC001099838918 792196606 /nfs/dbraw/zinc/19/66/06/792196606.db2.gz VIJWBQQJCPAHFX-WCQYABFASA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC001099838918 792196598 /nfs/dbraw/zinc/19/65/98/792196598.db2.gz VIJWBQQJCPAHFX-WCQYABFASA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001099838919 792196126 /nfs/dbraw/zinc/19/61/26/792196126.db2.gz VIJWBQQJCPAHFX-YPMHNXCESA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 ZINC001099838919 792196120 /nfs/dbraw/zinc/19/61/20/792196120.db2.gz VIJWBQQJCPAHFX-YPMHNXCESA-N 1 2 347.375 -1.600 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 ZINC001099838996 792197069 /nfs/dbraw/zinc/19/70/69/792197069.db2.gz WQESJNSDHAWMOZ-AAEUAGOBSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 ZINC001099838996 792197067 /nfs/dbraw/zinc/19/70/67/792197067.db2.gz WQESJNSDHAWMOZ-AAEUAGOBSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC001099838997 792195886 /nfs/dbraw/zinc/19/58/86/792195886.db2.gz WQESJNSDHAWMOZ-DGCLKSJQSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC001099838997 792195883 /nfs/dbraw/zinc/19/58/83/792195883.db2.gz WQESJNSDHAWMOZ-DGCLKSJQSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC001099838998 792196766 /nfs/dbraw/zinc/19/67/66/792196766.db2.gz WQESJNSDHAWMOZ-WCQYABFASA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC001099838998 792196761 /nfs/dbraw/zinc/19/67/61/792196761.db2.gz WQESJNSDHAWMOZ-WCQYABFASA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 ZINC001099838999 792197089 /nfs/dbraw/zinc/19/70/89/792197089.db2.gz WQESJNSDHAWMOZ-YPMHNXCESA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 ZINC001099838999 792197086 /nfs/dbraw/zinc/19/70/86/792197086.db2.gz WQESJNSDHAWMOZ-YPMHNXCESA-N 1 2 346.391 -1.366 20 30 EAEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099840848 786339698 /nfs/dbraw/zinc/33/96/98/786339698.db2.gz FUGMEMMJEVNUJL-CHWSQXEVSA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099840848 786339691 /nfs/dbraw/zinc/33/96/91/786339691.db2.gz FUGMEMMJEVNUJL-CHWSQXEVSA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099840849 786339512 /nfs/dbraw/zinc/33/95/12/786339512.db2.gz FUGMEMMJEVNUJL-OLZOCXBDSA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099840849 786339504 /nfs/dbraw/zinc/33/95/04/786339504.db2.gz FUGMEMMJEVNUJL-OLZOCXBDSA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099840850 786338882 /nfs/dbraw/zinc/33/88/82/786338882.db2.gz FUGMEMMJEVNUJL-QWHCGFSZSA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099840850 786338874 /nfs/dbraw/zinc/33/88/74/786338874.db2.gz FUGMEMMJEVNUJL-QWHCGFSZSA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099840851 786338642 /nfs/dbraw/zinc/33/86/42/786338642.db2.gz FUGMEMMJEVNUJL-STQMWFEESA-N 1 2 332.422 -1.215 20 30 EAEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099840851 786338637 /nfs/dbraw/zinc/33/86/37/786338637.db2.gz FUGMEMMJEVNUJL-STQMWFEESA-N 1 2 332.422 -1.215 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)nn1 ZINC001099847564 792198317 /nfs/dbraw/zinc/19/83/17/792198317.db2.gz OSUFYWWXDOUBFU-KBPBESRZSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)nn1 ZINC001099847564 792198313 /nfs/dbraw/zinc/19/83/13/792198313.db2.gz OSUFYWWXDOUBFU-KBPBESRZSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)nn1 ZINC001099847565 792198770 /nfs/dbraw/zinc/19/87/70/792198770.db2.gz OSUFYWWXDOUBFU-KGLIPLIRSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)nn1 ZINC001099847565 792198764 /nfs/dbraw/zinc/19/87/64/792198764.db2.gz OSUFYWWXDOUBFU-KGLIPLIRSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c(C)nn1 ZINC001099847566 792197977 /nfs/dbraw/zinc/19/79/77/792197977.db2.gz OSUFYWWXDOUBFU-UONOGXRCSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c(C)nn1 ZINC001099847566 792197968 /nfs/dbraw/zinc/19/79/68/792197968.db2.gz OSUFYWWXDOUBFU-UONOGXRCSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c(C)nn1 ZINC001099847567 792197954 /nfs/dbraw/zinc/19/79/54/792197954.db2.gz OSUFYWWXDOUBFU-ZIAGYGMSSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c(C)nn1 ZINC001099847567 792197946 /nfs/dbraw/zinc/19/79/46/792197946.db2.gz OSUFYWWXDOUBFU-ZIAGYGMSSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099855180 792200882 /nfs/dbraw/zinc/20/08/82/792200882.db2.gz DKXLPOXXSUKEIF-KBPBESRZSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099855180 792200873 /nfs/dbraw/zinc/20/08/73/792200873.db2.gz DKXLPOXXSUKEIF-KBPBESRZSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099855181 792200181 /nfs/dbraw/zinc/20/01/81/792200181.db2.gz DKXLPOXXSUKEIF-KGLIPLIRSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099855181 792200175 /nfs/dbraw/zinc/20/01/75/792200175.db2.gz DKXLPOXXSUKEIF-KGLIPLIRSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099855182 792200856 /nfs/dbraw/zinc/20/08/56/792200856.db2.gz DKXLPOXXSUKEIF-UONOGXRCSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099855182 792200848 /nfs/dbraw/zinc/20/08/48/792200848.db2.gz DKXLPOXXSUKEIF-UONOGXRCSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099855183 792201203 /nfs/dbraw/zinc/20/12/03/792201203.db2.gz DKXLPOXXSUKEIF-ZIAGYGMSSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1ccc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099855183 792201195 /nfs/dbraw/zinc/20/11/95/792201195.db2.gz DKXLPOXXSUKEIF-ZIAGYGMSSA-N 1 2 348.407 -1.456 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099855460 792200234 /nfs/dbraw/zinc/20/02/34/792200234.db2.gz INAPMAMZKQAYCD-CABCVRRESA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099855460 792200229 /nfs/dbraw/zinc/20/02/29/792200229.db2.gz INAPMAMZKQAYCD-CABCVRRESA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099855461 792199916 /nfs/dbraw/zinc/19/99/16/792199916.db2.gz INAPMAMZKQAYCD-GJZGRUSLSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099855461 792199907 /nfs/dbraw/zinc/19/99/07/792199907.db2.gz INAPMAMZKQAYCD-GJZGRUSLSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099855462 792201614 /nfs/dbraw/zinc/20/16/14/792201614.db2.gz INAPMAMZKQAYCD-HUUCEWRRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099855462 792201608 /nfs/dbraw/zinc/20/16/08/792201608.db2.gz INAPMAMZKQAYCD-HUUCEWRRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099855463 792200522 /nfs/dbraw/zinc/20/05/22/792200522.db2.gz INAPMAMZKQAYCD-LSDHHAIUSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099855463 792200518 /nfs/dbraw/zinc/20/05/18/792200518.db2.gz INAPMAMZKQAYCD-LSDHHAIUSA-N 1 2 345.403 -1.290 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099856120 792201071 /nfs/dbraw/zinc/20/10/71/792201071.db2.gz RXXVUPBQJDFUOR-KBPBESRZSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099856120 792201064 /nfs/dbraw/zinc/20/10/64/792201064.db2.gz RXXVUPBQJDFUOR-KBPBESRZSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099856121 792201180 /nfs/dbraw/zinc/20/11/80/792201180.db2.gz RXXVUPBQJDFUOR-KGLIPLIRSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001099856121 792201165 /nfs/dbraw/zinc/20/11/65/792201165.db2.gz RXXVUPBQJDFUOR-KGLIPLIRSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099856122 792200508 /nfs/dbraw/zinc/20/05/08/792200508.db2.gz RXXVUPBQJDFUOR-UONOGXRCSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099856122 792200503 /nfs/dbraw/zinc/20/05/03/792200503.db2.gz RXXVUPBQJDFUOR-UONOGXRCSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099856123 792201521 /nfs/dbraw/zinc/20/15/21/792201521.db2.gz RXXVUPBQJDFUOR-ZIAGYGMSSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncn2)[C@H](O)C1 ZINC001099856123 792201513 /nfs/dbraw/zinc/20/15/13/792201513.db2.gz RXXVUPBQJDFUOR-ZIAGYGMSSA-N 1 2 346.391 -1.400 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099857762 792199875 /nfs/dbraw/zinc/19/98/75/792199875.db2.gz BIWPYYHIWSNXJU-GHMZBOCLSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099857762 792199871 /nfs/dbraw/zinc/19/98/71/792199871.db2.gz BIWPYYHIWSNXJU-GHMZBOCLSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099857763 786340037 /nfs/dbraw/zinc/34/00/37/786340037.db2.gz BIWPYYHIWSNXJU-MNOVXSKESA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099857763 786340034 /nfs/dbraw/zinc/34/00/34/786340034.db2.gz BIWPYYHIWSNXJU-MNOVXSKESA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099857764 786341420 /nfs/dbraw/zinc/34/14/20/786341420.db2.gz BIWPYYHIWSNXJU-QWRGUYRKSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099857764 786341412 /nfs/dbraw/zinc/34/14/12/786341412.db2.gz BIWPYYHIWSNXJU-QWRGUYRKSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099857765 786340057 /nfs/dbraw/zinc/34/00/57/786340057.db2.gz BIWPYYHIWSNXJU-WDEREUQCSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099857765 786340052 /nfs/dbraw/zinc/34/00/52/786340052.db2.gz BIWPYYHIWSNXJU-WDEREUQCSA-N 1 2 327.385 -2.231 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099858002 792202757 /nfs/dbraw/zinc/20/27/57/792202757.db2.gz GAPFHFMEIIUPQZ-GHMZBOCLSA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099858002 792202750 /nfs/dbraw/zinc/20/27/50/792202750.db2.gz GAPFHFMEIIUPQZ-GHMZBOCLSA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099858003 792202308 /nfs/dbraw/zinc/20/23/08/792202308.db2.gz GAPFHFMEIIUPQZ-MNOVXSKESA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099858003 792202299 /nfs/dbraw/zinc/20/22/99/792202299.db2.gz GAPFHFMEIIUPQZ-MNOVXSKESA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099858004 792202252 /nfs/dbraw/zinc/20/22/52/792202252.db2.gz GAPFHFMEIIUPQZ-QWRGUYRKSA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099858004 792202242 /nfs/dbraw/zinc/20/22/42/792202242.db2.gz GAPFHFMEIIUPQZ-QWRGUYRKSA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099858005 792203193 /nfs/dbraw/zinc/20/31/93/792203193.db2.gz GAPFHFMEIIUPQZ-WDEREUQCSA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099858005 792203186 /nfs/dbraw/zinc/20/31/86/792203186.db2.gz GAPFHFMEIIUPQZ-WDEREUQCSA-N 1 2 325.369 -2.784 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001099858450 792202565 /nfs/dbraw/zinc/20/25/65/792202565.db2.gz LWAKKYZMUNQXOY-CABCVRRESA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001099858450 792202556 /nfs/dbraw/zinc/20/25/56/792202556.db2.gz LWAKKYZMUNQXOY-CABCVRRESA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001099858451 792203510 /nfs/dbraw/zinc/20/35/10/792203510.db2.gz LWAKKYZMUNQXOY-GJZGRUSLSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001099858451 792203505 /nfs/dbraw/zinc/20/35/05/792203505.db2.gz LWAKKYZMUNQXOY-GJZGRUSLSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 ZINC001099858452 792202160 /nfs/dbraw/zinc/20/21/60/792202160.db2.gz LWAKKYZMUNQXOY-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 ZINC001099858452 792202149 /nfs/dbraw/zinc/20/21/49/792202149.db2.gz LWAKKYZMUNQXOY-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 ZINC001099858453 792203098 /nfs/dbraw/zinc/20/30/98/792203098.db2.gz LWAKKYZMUNQXOY-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 ZINC001099858453 792203094 /nfs/dbraw/zinc/20/30/94/792203094.db2.gz LWAKKYZMUNQXOY-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099858562 792202028 /nfs/dbraw/zinc/20/20/28/792202028.db2.gz NHJBZYLYAKSFTL-NXEZZACHSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099858562 792202021 /nfs/dbraw/zinc/20/20/21/792202021.db2.gz NHJBZYLYAKSFTL-NXEZZACHSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099858563 792202366 /nfs/dbraw/zinc/20/23/66/792202366.db2.gz NHJBZYLYAKSFTL-UWVGGRQHSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099858563 792202358 /nfs/dbraw/zinc/20/23/58/792202358.db2.gz NHJBZYLYAKSFTL-UWVGGRQHSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099858564 792203220 /nfs/dbraw/zinc/20/32/20/792203220.db2.gz NHJBZYLYAKSFTL-VHSXEESVSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099858564 792203212 /nfs/dbraw/zinc/20/32/12/792203212.db2.gz NHJBZYLYAKSFTL-VHSXEESVSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099858565 792202135 /nfs/dbraw/zinc/20/21/35/792202135.db2.gz NHJBZYLYAKSFTL-ZJUUUORDSA-N 1 2 326.357 -2.893 20 30 EAEDLO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099858565 792202127 /nfs/dbraw/zinc/20/21/27/792202127.db2.gz NHJBZYLYAKSFTL-ZJUUUORDSA-N 1 2 326.357 -2.893 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099858790 792203355 /nfs/dbraw/zinc/20/33/55/792203355.db2.gz RHNHDBHDQTVXGB-DZGCQCFKSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099858790 792203352 /nfs/dbraw/zinc/20/33/52/792203352.db2.gz RHNHDBHDQTVXGB-DZGCQCFKSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099858791 792202666 /nfs/dbraw/zinc/20/26/66/792202666.db2.gz RHNHDBHDQTVXGB-HIFRSBDPSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099858791 792202662 /nfs/dbraw/zinc/20/26/62/792202662.db2.gz RHNHDBHDQTVXGB-HIFRSBDPSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099858792 792203245 /nfs/dbraw/zinc/20/32/45/792203245.db2.gz RHNHDBHDQTVXGB-UKRRQHHQSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099858792 792203238 /nfs/dbraw/zinc/20/32/38/792203238.db2.gz RHNHDBHDQTVXGB-UKRRQHHQSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099858793 792201956 /nfs/dbraw/zinc/20/19/56/792201956.db2.gz RHNHDBHDQTVXGB-ZFWWWQNUSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099858793 792201949 /nfs/dbraw/zinc/20/19/49/792201949.db2.gz RHNHDBHDQTVXGB-ZFWWWQNUSA-N 1 2 345.403 -1.256 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099859274 792204070 /nfs/dbraw/zinc/20/40/70/792204070.db2.gz ZHPPNAFNQRKYQO-GXTWGEPZSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099859274 792204064 /nfs/dbraw/zinc/20/40/64/792204064.db2.gz ZHPPNAFNQRKYQO-GXTWGEPZSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099859275 792204477 /nfs/dbraw/zinc/20/44/77/792204477.db2.gz ZHPPNAFNQRKYQO-JSGCOSHPSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099859275 792204469 /nfs/dbraw/zinc/20/44/69/792204469.db2.gz ZHPPNAFNQRKYQO-JSGCOSHPSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099859276 792205456 /nfs/dbraw/zinc/20/54/56/792205456.db2.gz ZHPPNAFNQRKYQO-OCCSQVGLSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001099859276 792205448 /nfs/dbraw/zinc/20/54/48/792205448.db2.gz ZHPPNAFNQRKYQO-OCCSQVGLSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099859277 792205381 /nfs/dbraw/zinc/20/53/81/792205381.db2.gz ZHPPNAFNQRKYQO-TZMCWYRMSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC001099859277 792205377 /nfs/dbraw/zinc/20/53/77/792205377.db2.gz ZHPPNAFNQRKYQO-TZMCWYRMSA-N 1 2 346.391 -1.366 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001099860936 792206099 /nfs/dbraw/zinc/20/60/99/792206099.db2.gz KHKKTIPXOJGECX-CABCVRRESA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001099860936 792206093 /nfs/dbraw/zinc/20/60/93/792206093.db2.gz KHKKTIPXOJGECX-CABCVRRESA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001099860937 792206258 /nfs/dbraw/zinc/20/62/58/792206258.db2.gz KHKKTIPXOJGECX-GJZGRUSLSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001099860937 792206253 /nfs/dbraw/zinc/20/62/53/792206253.db2.gz KHKKTIPXOJGECX-GJZGRUSLSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 ZINC001099860938 792207678 /nfs/dbraw/zinc/20/76/78/792207678.db2.gz KHKKTIPXOJGECX-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 ZINC001099860938 792207673 /nfs/dbraw/zinc/20/76/73/792207673.db2.gz KHKKTIPXOJGECX-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 ZINC001099860939 792207448 /nfs/dbraw/zinc/20/74/48/792207448.db2.gz KHKKTIPXOJGECX-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 ZINC001099860939 792207438 /nfs/dbraw/zinc/20/74/38/792207438.db2.gz KHKKTIPXOJGECX-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099861148 792206895 /nfs/dbraw/zinc/20/68/95/792206895.db2.gz OAAKKJMDIRHZAU-KBPBESRZSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099861148 792206887 /nfs/dbraw/zinc/20/68/87/792206887.db2.gz OAAKKJMDIRHZAU-KBPBESRZSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099861149 792206328 /nfs/dbraw/zinc/20/63/28/792206328.db2.gz OAAKKJMDIRHZAU-KGLIPLIRSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099861149 792206323 /nfs/dbraw/zinc/20/63/23/792206323.db2.gz OAAKKJMDIRHZAU-KGLIPLIRSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099861150 792206162 /nfs/dbraw/zinc/20/61/62/792206162.db2.gz OAAKKJMDIRHZAU-UONOGXRCSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099861150 792206156 /nfs/dbraw/zinc/20/61/56/792206156.db2.gz OAAKKJMDIRHZAU-UONOGXRCSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099861151 792206973 /nfs/dbraw/zinc/20/69/73/792206973.db2.gz OAAKKJMDIRHZAU-ZIAGYGMSSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1nccc1CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099861151 792206965 /nfs/dbraw/zinc/20/69/65/792206965.db2.gz OAAKKJMDIRHZAU-ZIAGYGMSSA-N 1 2 348.407 -1.456 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099866398 792211564 /nfs/dbraw/zinc/21/15/64/792211564.db2.gz HWTRSLPRYITCPF-CHWSQXEVSA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099866398 792211557 /nfs/dbraw/zinc/21/15/57/792211557.db2.gz HWTRSLPRYITCPF-CHWSQXEVSA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099866402 792210392 /nfs/dbraw/zinc/21/03/92/792210392.db2.gz HWTRSLPRYITCPF-OLZOCXBDSA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099866402 792210387 /nfs/dbraw/zinc/21/03/87/792210387.db2.gz HWTRSLPRYITCPF-OLZOCXBDSA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099866404 792211227 /nfs/dbraw/zinc/21/12/27/792211227.db2.gz HWTRSLPRYITCPF-QWHCGFSZSA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099866404 792211218 /nfs/dbraw/zinc/21/12/18/792211218.db2.gz HWTRSLPRYITCPF-QWHCGFSZSA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099866406 792211301 /nfs/dbraw/zinc/21/13/01/792211301.db2.gz HWTRSLPRYITCPF-STQMWFEESA-N 1 2 341.383 -1.194 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099866406 792211295 /nfs/dbraw/zinc/21/12/95/792211295.db2.gz HWTRSLPRYITCPF-STQMWFEESA-N 1 2 341.383 -1.194 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099866704 792211857 /nfs/dbraw/zinc/21/18/57/792211857.db2.gz LMPUDEFTUKZTQW-GXTWGEPZSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099866704 792211851 /nfs/dbraw/zinc/21/18/51/792211851.db2.gz LMPUDEFTUKZTQW-GXTWGEPZSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099866705 792211123 /nfs/dbraw/zinc/21/11/23/792211123.db2.gz LMPUDEFTUKZTQW-JSGCOSHPSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099866705 792211115 /nfs/dbraw/zinc/21/11/15/792211115.db2.gz LMPUDEFTUKZTQW-JSGCOSHPSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099866706 792211081 /nfs/dbraw/zinc/21/10/81/792211081.db2.gz LMPUDEFTUKZTQW-OCCSQVGLSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099866706 792211078 /nfs/dbraw/zinc/21/10/78/792211078.db2.gz LMPUDEFTUKZTQW-OCCSQVGLSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099866707 792210869 /nfs/dbraw/zinc/21/08/69/792210869.db2.gz LMPUDEFTUKZTQW-TZMCWYRMSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099866707 792210865 /nfs/dbraw/zinc/21/08/65/792210865.db2.gz LMPUDEFTUKZTQW-TZMCWYRMSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099867432 792210154 /nfs/dbraw/zinc/21/01/54/792210154.db2.gz WVUIGLJFNQUZSG-NEPJUHHUSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099867432 792210144 /nfs/dbraw/zinc/21/01/44/792210144.db2.gz WVUIGLJFNQUZSG-NEPJUHHUSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099867433 792211972 /nfs/dbraw/zinc/21/19/72/792211972.db2.gz WVUIGLJFNQUZSG-NWDGAFQWSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099867433 792211967 /nfs/dbraw/zinc/21/19/67/792211967.db2.gz WVUIGLJFNQUZSG-NWDGAFQWSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099867434 792211796 /nfs/dbraw/zinc/21/17/96/792211796.db2.gz WVUIGLJFNQUZSG-RYUDHWBXSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001099867434 792211789 /nfs/dbraw/zinc/21/17/89/792211789.db2.gz WVUIGLJFNQUZSG-RYUDHWBXSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099867435 792210185 /nfs/dbraw/zinc/21/01/85/792210185.db2.gz WVUIGLJFNQUZSG-VXGBXAGGSA-N 1 2 342.371 -1.304 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCOCC2)[C@H](O)C1 ZINC001099867435 792210174 /nfs/dbraw/zinc/21/01/74/792210174.db2.gz WVUIGLJFNQUZSG-VXGBXAGGSA-N 1 2 342.371 -1.304 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099867600 792211066 /nfs/dbraw/zinc/21/10/66/792211066.db2.gz ZFUJDZRXFUXCFO-DZGCQCFKSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099867600 792211060 /nfs/dbraw/zinc/21/10/60/792211060.db2.gz ZFUJDZRXFUXCFO-DZGCQCFKSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099867601 792211177 /nfs/dbraw/zinc/21/11/77/792211177.db2.gz ZFUJDZRXFUXCFO-HIFRSBDPSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099867601 792211166 /nfs/dbraw/zinc/21/11/66/792211166.db2.gz ZFUJDZRXFUXCFO-HIFRSBDPSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099867602 792212164 /nfs/dbraw/zinc/21/21/64/792212164.db2.gz ZFUJDZRXFUXCFO-UKRRQHHQSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC001099867602 792212157 /nfs/dbraw/zinc/21/21/57/792212157.db2.gz ZFUJDZRXFUXCFO-UKRRQHHQSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099867603 792211596 /nfs/dbraw/zinc/21/15/96/792211596.db2.gz ZFUJDZRXFUXCFO-ZFWWWQNUSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001099867603 792211593 /nfs/dbraw/zinc/21/15/93/792211593.db2.gz ZFUJDZRXFUXCFO-ZFWWWQNUSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099868718 792211955 /nfs/dbraw/zinc/21/19/55/792211955.db2.gz DKYDFOWPVISLRO-KBPBESRZSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099868718 792211951 /nfs/dbraw/zinc/21/19/51/792211951.db2.gz DKYDFOWPVISLRO-KBPBESRZSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099868719 792212043 /nfs/dbraw/zinc/21/20/43/792212043.db2.gz DKYDFOWPVISLRO-KGLIPLIRSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099868719 792212039 /nfs/dbraw/zinc/21/20/39/792212039.db2.gz DKYDFOWPVISLRO-KGLIPLIRSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099868720 792211101 /nfs/dbraw/zinc/21/11/01/792211101.db2.gz DKYDFOWPVISLRO-UONOGXRCSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099868720 792211095 /nfs/dbraw/zinc/21/10/95/792211095.db2.gz DKYDFOWPVISLRO-UONOGXRCSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099868721 792211151 /nfs/dbraw/zinc/21/11/51/792211151.db2.gz DKYDFOWPVISLRO-ZIAGYGMSSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099868721 792211141 /nfs/dbraw/zinc/21/11/41/792211141.db2.gz DKYDFOWPVISLRO-ZIAGYGMSSA-N 1 2 348.407 -1.641 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001099868990 792210489 /nfs/dbraw/zinc/21/04/89/792210489.db2.gz HYHIOMXFJDTUNX-CABCVRRESA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001099868990 792210485 /nfs/dbraw/zinc/21/04/85/792210485.db2.gz HYHIOMXFJDTUNX-CABCVRRESA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001099868991 792211531 /nfs/dbraw/zinc/21/15/31/792211531.db2.gz HYHIOMXFJDTUNX-GJZGRUSLSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001099868991 792211521 /nfs/dbraw/zinc/21/15/21/792211521.db2.gz HYHIOMXFJDTUNX-GJZGRUSLSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 ZINC001099868992 792210278 /nfs/dbraw/zinc/21/02/78/792210278.db2.gz HYHIOMXFJDTUNX-HUUCEWRRSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 ZINC001099868992 792210274 /nfs/dbraw/zinc/21/02/74/792210274.db2.gz HYHIOMXFJDTUNX-HUUCEWRRSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 ZINC001099868993 792211410 /nfs/dbraw/zinc/21/14/10/792211410.db2.gz HYHIOMXFJDTUNX-LSDHHAIUSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 ZINC001099868993 792211401 /nfs/dbraw/zinc/21/14/01/792211401.db2.gz HYHIOMXFJDTUNX-LSDHHAIUSA-N 1 2 347.419 -1.428 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099869082 792211710 /nfs/dbraw/zinc/21/17/10/792211710.db2.gz IYXYBODMKLWAOY-NEPJUHHUSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099869082 792211700 /nfs/dbraw/zinc/21/17/00/792211700.db2.gz IYXYBODMKLWAOY-NEPJUHHUSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099869083 792210251 /nfs/dbraw/zinc/21/02/51/792210251.db2.gz IYXYBODMKLWAOY-NWDGAFQWSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099869083 792210249 /nfs/dbraw/zinc/21/02/49/792210249.db2.gz IYXYBODMKLWAOY-NWDGAFQWSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099869084 792211686 /nfs/dbraw/zinc/21/16/86/792211686.db2.gz IYXYBODMKLWAOY-RYUDHWBXSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099869084 792211677 /nfs/dbraw/zinc/21/16/77/792211677.db2.gz IYXYBODMKLWAOY-RYUDHWBXSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099869085 792211384 /nfs/dbraw/zinc/21/13/84/792211384.db2.gz IYXYBODMKLWAOY-VXGBXAGGSA-N 1 2 349.395 -1.589 20 30 EAEDLO CCn1nnc(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099869085 792211377 /nfs/dbraw/zinc/21/13/77/792211377.db2.gz IYXYBODMKLWAOY-VXGBXAGGSA-N 1 2 349.395 -1.589 20 30 EAEDLO Cc1c(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099869338 792210584 /nfs/dbraw/zinc/21/05/84/792210584.db2.gz NZDBQHHNDSMCBL-KBPBESRZSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099869338 792210578 /nfs/dbraw/zinc/21/05/78/792210578.db2.gz NZDBQHHNDSMCBL-KBPBESRZSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099869339 792211054 /nfs/dbraw/zinc/21/10/54/792211054.db2.gz NZDBQHHNDSMCBL-KGLIPLIRSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099869339 792211052 /nfs/dbraw/zinc/21/10/52/792211052.db2.gz NZDBQHHNDSMCBL-KGLIPLIRSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099869340 792210938 /nfs/dbraw/zinc/21/09/38/792210938.db2.gz NZDBQHHNDSMCBL-UONOGXRCSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099869340 792210930 /nfs/dbraw/zinc/21/09/30/792210930.db2.gz NZDBQHHNDSMCBL-UONOGXRCSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099869341 792211988 /nfs/dbraw/zinc/21/19/88/792211988.db2.gz NZDBQHHNDSMCBL-ZIAGYGMSSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1c(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099869341 792211982 /nfs/dbraw/zinc/21/19/82/792211982.db2.gz NZDBQHHNDSMCBL-ZIAGYGMSSA-N 1 2 348.407 -1.538 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001099869354 792211501 /nfs/dbraw/zinc/21/15/01/792211501.db2.gz OCMQABQSFUFEGB-KBPBESRZSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001099869354 792211476 /nfs/dbraw/zinc/21/14/76/792211476.db2.gz OCMQABQSFUFEGB-KBPBESRZSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001099869355 792211278 /nfs/dbraw/zinc/21/12/78/792211278.db2.gz OCMQABQSFUFEGB-KGLIPLIRSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001099869355 792211269 /nfs/dbraw/zinc/21/12/69/792211269.db2.gz OCMQABQSFUFEGB-KGLIPLIRSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H](O)C1 ZINC001099869356 792210556 /nfs/dbraw/zinc/21/05/56/792210556.db2.gz OCMQABQSFUFEGB-UONOGXRCSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H](O)C1 ZINC001099869356 792210551 /nfs/dbraw/zinc/21/05/51/792210551.db2.gz OCMQABQSFUFEGB-UONOGXRCSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnc(C)o2)[C@H](O)C1 ZINC001099869357 792210892 /nfs/dbraw/zinc/21/08/92/792210892.db2.gz OCMQABQSFUFEGB-ZIAGYGMSSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnc(C)o2)[C@H](O)C1 ZINC001099869357 792210883 /nfs/dbraw/zinc/21/08/83/792210883.db2.gz OCMQABQSFUFEGB-ZIAGYGMSSA-N 1 2 334.376 -1.174 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 ZINC001099869546 792211826 /nfs/dbraw/zinc/21/18/26/792211826.db2.gz QYKVSQLZQKHUCM-CHWSQXEVSA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 ZINC001099869546 792211822 /nfs/dbraw/zinc/21/18/22/792211822.db2.gz QYKVSQLZQKHUCM-CHWSQXEVSA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 ZINC001099869547 792210331 /nfs/dbraw/zinc/21/03/31/792210331.db2.gz QYKVSQLZQKHUCM-OLZOCXBDSA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 ZINC001099869547 792210321 /nfs/dbraw/zinc/21/03/21/792210321.db2.gz QYKVSQLZQKHUCM-OLZOCXBDSA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 ZINC001099869548 792210709 /nfs/dbraw/zinc/21/07/09/792210709.db2.gz QYKVSQLZQKHUCM-QWHCGFSZSA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 ZINC001099869548 792210703 /nfs/dbraw/zinc/21/07/03/792210703.db2.gz QYKVSQLZQKHUCM-QWHCGFSZSA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 ZINC001099869549 792210443 /nfs/dbraw/zinc/21/04/43/792210443.db2.gz QYKVSQLZQKHUCM-STQMWFEESA-N 1 2 348.407 -1.479 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 ZINC001099869549 792210439 /nfs/dbraw/zinc/21/04/39/792210439.db2.gz QYKVSQLZQKHUCM-STQMWFEESA-N 1 2 348.407 -1.479 20 30 EAEDLO Cc1ncc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099869898 792214602 /nfs/dbraw/zinc/21/46/02/792214602.db2.gz XDWKOSDRYYQEKZ-CHWSQXEVSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099869898 792214593 /nfs/dbraw/zinc/21/45/93/792214593.db2.gz XDWKOSDRYYQEKZ-CHWSQXEVSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099869899 792213099 /nfs/dbraw/zinc/21/30/99/792213099.db2.gz XDWKOSDRYYQEKZ-OLZOCXBDSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099869899 792213091 /nfs/dbraw/zinc/21/30/91/792213091.db2.gz XDWKOSDRYYQEKZ-OLZOCXBDSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099869900 792214353 /nfs/dbraw/zinc/21/43/53/792214353.db2.gz XDWKOSDRYYQEKZ-QWHCGFSZSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099869900 792214345 /nfs/dbraw/zinc/21/43/45/792214345.db2.gz XDWKOSDRYYQEKZ-QWHCGFSZSA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099869901 792213363 /nfs/dbraw/zinc/21/33/63/792213363.db2.gz XDWKOSDRYYQEKZ-STQMWFEESA-N 1 2 335.364 -1.283 20 30 EAEDLO Cc1ncc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099869901 792213357 /nfs/dbraw/zinc/21/33/57/792213357.db2.gz XDWKOSDRYYQEKZ-STQMWFEESA-N 1 2 335.364 -1.283 20 30 EAEDLO COCCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099871692 792213808 /nfs/dbraw/zinc/21/38/08/792213808.db2.gz JHCLBSVVFLYRKE-CHWSQXEVSA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099871692 792213799 /nfs/dbraw/zinc/21/37/99/792213799.db2.gz JHCLBSVVFLYRKE-CHWSQXEVSA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099871693 792213592 /nfs/dbraw/zinc/21/35/92/792213592.db2.gz JHCLBSVVFLYRKE-OLZOCXBDSA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099871693 792213584 /nfs/dbraw/zinc/21/35/84/792213584.db2.gz JHCLBSVVFLYRKE-OLZOCXBDSA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099871694 792214533 /nfs/dbraw/zinc/21/45/33/792214533.db2.gz JHCLBSVVFLYRKE-QWHCGFSZSA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099871694 792214526 /nfs/dbraw/zinc/21/45/26/792214526.db2.gz JHCLBSVVFLYRKE-QWHCGFSZSA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099871695 792213573 /nfs/dbraw/zinc/21/35/73/792213573.db2.gz JHCLBSVVFLYRKE-STQMWFEESA-N 1 2 338.408 -1.006 20 30 EAEDLO COCCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099871695 792213566 /nfs/dbraw/zinc/21/35/66/792213566.db2.gz JHCLBSVVFLYRKE-STQMWFEESA-N 1 2 338.408 -1.006 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099875088 792214142 /nfs/dbraw/zinc/21/41/42/792214142.db2.gz VPARDGBUGCFVLX-NEPJUHHUSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099875088 792214134 /nfs/dbraw/zinc/21/41/34/792214134.db2.gz VPARDGBUGCFVLX-NEPJUHHUSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099875089 792212502 /nfs/dbraw/zinc/21/25/02/792212502.db2.gz VPARDGBUGCFVLX-NWDGAFQWSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099875089 792212495 /nfs/dbraw/zinc/21/24/95/792212495.db2.gz VPARDGBUGCFVLX-NWDGAFQWSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099875090 792214849 /nfs/dbraw/zinc/21/48/49/792214849.db2.gz VPARDGBUGCFVLX-RYUDHWBXSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)CCC1 ZINC001099875090 792214843 /nfs/dbraw/zinc/21/48/43/792214843.db2.gz VPARDGBUGCFVLX-RYUDHWBXSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099875091 792214178 /nfs/dbraw/zinc/21/41/78/792214178.db2.gz VPARDGBUGCFVLX-VXGBXAGGSA-N 1 2 336.392 -1.074 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)CCC1 ZINC001099875091 792214173 /nfs/dbraw/zinc/21/41/73/792214173.db2.gz VPARDGBUGCFVLX-VXGBXAGGSA-N 1 2 336.392 -1.074 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099876320 792213335 /nfs/dbraw/zinc/21/33/35/792213335.db2.gz BLHZEJFEFFWQJL-CHWSQXEVSA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099876320 792213329 /nfs/dbraw/zinc/21/33/29/792213329.db2.gz BLHZEJFEFFWQJL-CHWSQXEVSA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099876321 792214476 /nfs/dbraw/zinc/21/44/76/792214476.db2.gz BLHZEJFEFFWQJL-OLZOCXBDSA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099876321 792214467 /nfs/dbraw/zinc/21/44/67/792214467.db2.gz BLHZEJFEFFWQJL-OLZOCXBDSA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099876322 792213251 /nfs/dbraw/zinc/21/32/51/792213251.db2.gz BLHZEJFEFFWQJL-QWHCGFSZSA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 ZINC001099876322 792213249 /nfs/dbraw/zinc/21/32/49/792213249.db2.gz BLHZEJFEFFWQJL-QWHCGFSZSA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099876323 792214577 /nfs/dbraw/zinc/21/45/77/792214577.db2.gz BLHZEJFEFFWQJL-STQMWFEESA-N 1 2 349.395 -1.751 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001099876323 792214566 /nfs/dbraw/zinc/21/45/66/792214566.db2.gz BLHZEJFEFFWQJL-STQMWFEESA-N 1 2 349.395 -1.751 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876384 792214628 /nfs/dbraw/zinc/21/46/28/792214628.db2.gz CJGRRWKXCCNURI-AAEUAGOBSA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876384 792214619 /nfs/dbraw/zinc/21/46/19/792214619.db2.gz CJGRRWKXCCNURI-AAEUAGOBSA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876385 792214889 /nfs/dbraw/zinc/21/48/89/792214889.db2.gz CJGRRWKXCCNURI-DGCLKSJQSA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876385 792214884 /nfs/dbraw/zinc/21/48/84/792214884.db2.gz CJGRRWKXCCNURI-DGCLKSJQSA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876386 792214043 /nfs/dbraw/zinc/21/40/43/792214043.db2.gz CJGRRWKXCCNURI-WCQYABFASA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876386 792214032 /nfs/dbraw/zinc/21/40/32/792214032.db2.gz CJGRRWKXCCNURI-WCQYABFASA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876387 792214658 /nfs/dbraw/zinc/21/46/58/792214658.db2.gz CJGRRWKXCCNURI-YPMHNXCESA-N 1 2 347.375 -1.810 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876387 792214649 /nfs/dbraw/zinc/21/46/49/792214649.db2.gz CJGRRWKXCCNURI-YPMHNXCESA-N 1 2 347.375 -1.810 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876856 792215650 /nfs/dbraw/zinc/21/56/50/792215650.db2.gz LFQXXSXOGNFQDS-AAEUAGOBSA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876856 792215647 /nfs/dbraw/zinc/21/56/47/792215647.db2.gz LFQXXSXOGNFQDS-AAEUAGOBSA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876857 792217131 /nfs/dbraw/zinc/21/71/31/792217131.db2.gz LFQXXSXOGNFQDS-DGCLKSJQSA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876857 792217125 /nfs/dbraw/zinc/21/71/25/792217125.db2.gz LFQXXSXOGNFQDS-DGCLKSJQSA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876858 792216775 /nfs/dbraw/zinc/21/67/75/792216775.db2.gz LFQXXSXOGNFQDS-WCQYABFASA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099876858 792216767 /nfs/dbraw/zinc/21/67/67/792216767.db2.gz LFQXXSXOGNFQDS-WCQYABFASA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876859 792217321 /nfs/dbraw/zinc/21/73/21/792217321.db2.gz LFQXXSXOGNFQDS-YPMHNXCESA-N 1 2 349.391 -1.257 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099876859 792217317 /nfs/dbraw/zinc/21/73/17/792217317.db2.gz LFQXXSXOGNFQDS-YPMHNXCESA-N 1 2 349.391 -1.257 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099877668 792216907 /nfs/dbraw/zinc/21/69/07/792216907.db2.gz YJZJCDMHKMQFNZ-CMPLNLGQSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099877668 792216902 /nfs/dbraw/zinc/21/69/02/792216902.db2.gz YJZJCDMHKMQFNZ-CMPLNLGQSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099877669 792216934 /nfs/dbraw/zinc/21/69/34/792216934.db2.gz YJZJCDMHKMQFNZ-JQWIXIFHSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099877669 792216926 /nfs/dbraw/zinc/21/69/26/792216926.db2.gz YJZJCDMHKMQFNZ-JQWIXIFHSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099877670 792217159 /nfs/dbraw/zinc/21/71/59/792217159.db2.gz YJZJCDMHKMQFNZ-PWSUYJOCSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001099877670 792217150 /nfs/dbraw/zinc/21/71/50/792217150.db2.gz YJZJCDMHKMQFNZ-PWSUYJOCSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099877671 792217105 /nfs/dbraw/zinc/21/71/05/792217105.db2.gz YJZJCDMHKMQFNZ-ZYHUDNBSSA-N 1 2 348.363 -1.920 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC001099877671 792217099 /nfs/dbraw/zinc/21/70/99/792217099.db2.gz YJZJCDMHKMQFNZ-ZYHUDNBSSA-N 1 2 348.363 -1.920 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099879236 792215884 /nfs/dbraw/zinc/21/58/84/792215884.db2.gz HVFPHWCANIHTBZ-AAEUAGOBSA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099879236 792215880 /nfs/dbraw/zinc/21/58/80/792215880.db2.gz HVFPHWCANIHTBZ-AAEUAGOBSA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099879237 792216595 /nfs/dbraw/zinc/21/65/95/792216595.db2.gz HVFPHWCANIHTBZ-DGCLKSJQSA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099879237 792216590 /nfs/dbraw/zinc/21/65/90/792216590.db2.gz HVFPHWCANIHTBZ-DGCLKSJQSA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099879238 792217348 /nfs/dbraw/zinc/21/73/48/792217348.db2.gz HVFPHWCANIHTBZ-WCQYABFASA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099879238 792217345 /nfs/dbraw/zinc/21/73/45/792217345.db2.gz HVFPHWCANIHTBZ-WCQYABFASA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099879239 792217289 /nfs/dbraw/zinc/21/72/89/792217289.db2.gz HVFPHWCANIHTBZ-YPMHNXCESA-N 1 2 349.391 -1.753 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099879239 792217286 /nfs/dbraw/zinc/21/72/86/792217286.db2.gz HVFPHWCANIHTBZ-YPMHNXCESA-N 1 2 349.391 -1.753 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099879572 792216500 /nfs/dbraw/zinc/21/65/00/792216500.db2.gz MCOJMWHGOVNVPP-KBPBESRZSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099879572 792216495 /nfs/dbraw/zinc/21/64/95/792216495.db2.gz MCOJMWHGOVNVPP-KBPBESRZSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099879573 792216721 /nfs/dbraw/zinc/21/67/21/792216721.db2.gz MCOJMWHGOVNVPP-KGLIPLIRSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099879573 792216710 /nfs/dbraw/zinc/21/67/10/792216710.db2.gz MCOJMWHGOVNVPP-KGLIPLIRSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099879574 792215320 /nfs/dbraw/zinc/21/53/20/792215320.db2.gz MCOJMWHGOVNVPP-UONOGXRCSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099879574 792215317 /nfs/dbraw/zinc/21/53/17/792215317.db2.gz MCOJMWHGOVNVPP-UONOGXRCSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099879575 792216534 /nfs/dbraw/zinc/21/65/34/792216534.db2.gz MCOJMWHGOVNVPP-ZIAGYGMSSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1nn(C)cc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099879575 792216528 /nfs/dbraw/zinc/21/65/28/792216528.db2.gz MCOJMWHGOVNVPP-ZIAGYGMSSA-N 1 2 348.407 -1.538 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001099879628 792216667 /nfs/dbraw/zinc/21/66/67/792216667.db2.gz NDWLKFRPUQTZLI-CABCVRRESA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001099879628 792216664 /nfs/dbraw/zinc/21/66/64/792216664.db2.gz NDWLKFRPUQTZLI-CABCVRRESA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001099879629 792217249 /nfs/dbraw/zinc/21/72/49/792217249.db2.gz NDWLKFRPUQTZLI-GJZGRUSLSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001099879629 792217240 /nfs/dbraw/zinc/21/72/40/792217240.db2.gz NDWLKFRPUQTZLI-GJZGRUSLSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 ZINC001099879630 792215808 /nfs/dbraw/zinc/21/58/08/792215808.db2.gz NDWLKFRPUQTZLI-HUUCEWRRSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 ZINC001099879630 792215799 /nfs/dbraw/zinc/21/57/99/792215799.db2.gz NDWLKFRPUQTZLI-HUUCEWRRSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 ZINC001099879631 792217267 /nfs/dbraw/zinc/21/72/67/792217267.db2.gz NDWLKFRPUQTZLI-LSDHHAIUSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 ZINC001099879631 792217261 /nfs/dbraw/zinc/21/72/61/792217261.db2.gz NDWLKFRPUQTZLI-LSDHHAIUSA-N 1 2 347.419 -1.428 20 30 EAEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099879656 792215213 /nfs/dbraw/zinc/21/52/13/792215213.db2.gz NTIBHAMUOZKRLQ-CMPLNLGQSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099879656 792215207 /nfs/dbraw/zinc/21/52/07/792215207.db2.gz NTIBHAMUOZKRLQ-CMPLNLGQSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099879657 792216122 /nfs/dbraw/zinc/21/61/22/792216122.db2.gz NTIBHAMUOZKRLQ-JQWIXIFHSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099879657 792216114 /nfs/dbraw/zinc/21/61/14/792216114.db2.gz NTIBHAMUOZKRLQ-JQWIXIFHSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099879658 792215858 /nfs/dbraw/zinc/21/58/58/792215858.db2.gz NTIBHAMUOZKRLQ-PWSUYJOCSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099879658 792215856 /nfs/dbraw/zinc/21/58/56/792215856.db2.gz NTIBHAMUOZKRLQ-PWSUYJOCSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099879659 792216438 /nfs/dbraw/zinc/21/64/38/792216438.db2.gz NTIBHAMUOZKRLQ-ZYHUDNBSSA-N 1 2 348.363 -2.415 20 30 EAEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099879659 792216433 /nfs/dbraw/zinc/21/64/33/792216433.db2.gz NTIBHAMUOZKRLQ-ZYHUDNBSSA-N 1 2 348.363 -2.415 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099880080 792218513 /nfs/dbraw/zinc/21/85/13/792218513.db2.gz UWKJBFZOOAMWBF-AAEUAGOBSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099880080 792218510 /nfs/dbraw/zinc/21/85/10/792218510.db2.gz UWKJBFZOOAMWBF-AAEUAGOBSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099880081 792217714 /nfs/dbraw/zinc/21/77/14/792217714.db2.gz UWKJBFZOOAMWBF-DGCLKSJQSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099880081 792217707 /nfs/dbraw/zinc/21/77/07/792217707.db2.gz UWKJBFZOOAMWBF-DGCLKSJQSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099880082 792219294 /nfs/dbraw/zinc/21/92/94/792219294.db2.gz UWKJBFZOOAMWBF-WCQYABFASA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099880082 792219286 /nfs/dbraw/zinc/21/92/86/792219286.db2.gz UWKJBFZOOAMWBF-WCQYABFASA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099880083 792219116 /nfs/dbraw/zinc/21/91/16/792219116.db2.gz UWKJBFZOOAMWBF-YPMHNXCESA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099880083 792219113 /nfs/dbraw/zinc/21/91/13/792219113.db2.gz UWKJBFZOOAMWBF-YPMHNXCESA-N 1 2 347.375 -2.305 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099881458 792219514 /nfs/dbraw/zinc/21/95/14/792219514.db2.gz BITDKDBJXHKZNZ-GHMZBOCLSA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099881458 792219508 /nfs/dbraw/zinc/21/95/08/792219508.db2.gz BITDKDBJXHKZNZ-GHMZBOCLSA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099881459 787513468 /nfs/dbraw/zinc/51/34/68/787513468.db2.gz BITDKDBJXHKZNZ-MNOVXSKESA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099881459 787513460 /nfs/dbraw/zinc/51/34/60/787513460.db2.gz BITDKDBJXHKZNZ-MNOVXSKESA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099881460 787512541 /nfs/dbraw/zinc/51/25/41/787512541.db2.gz BITDKDBJXHKZNZ-QWRGUYRKSA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099881460 787512531 /nfs/dbraw/zinc/51/25/31/787512531.db2.gz BITDKDBJXHKZNZ-QWRGUYRKSA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099881461 787512796 /nfs/dbraw/zinc/51/27/96/787512796.db2.gz BITDKDBJXHKZNZ-WDEREUQCSA-N 1 2 326.397 -1.649 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099881461 787512791 /nfs/dbraw/zinc/51/27/91/787512791.db2.gz BITDKDBJXHKZNZ-WDEREUQCSA-N 1 2 326.397 -1.649 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099881730 792217687 /nfs/dbraw/zinc/21/76/87/792217687.db2.gz IKNMBRNKPBETSS-GXTWGEPZSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099881730 792217678 /nfs/dbraw/zinc/21/76/78/792217678.db2.gz IKNMBRNKPBETSS-GXTWGEPZSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099881731 792219090 /nfs/dbraw/zinc/21/90/90/792219090.db2.gz IKNMBRNKPBETSS-JSGCOSHPSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099881731 792219078 /nfs/dbraw/zinc/21/90/78/792219078.db2.gz IKNMBRNKPBETSS-JSGCOSHPSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099881732 792218743 /nfs/dbraw/zinc/21/87/43/792218743.db2.gz IKNMBRNKPBETSS-OCCSQVGLSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099881732 792218735 /nfs/dbraw/zinc/21/87/35/792218735.db2.gz IKNMBRNKPBETSS-OCCSQVGLSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099881733 792218546 /nfs/dbraw/zinc/21/85/46/792218546.db2.gz IKNMBRNKPBETSS-TZMCWYRMSA-N 1 2 345.403 -1.256 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099881733 792218545 /nfs/dbraw/zinc/21/85/45/792218545.db2.gz IKNMBRNKPBETSS-TZMCWYRMSA-N 1 2 345.403 -1.256 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099881970 792218956 /nfs/dbraw/zinc/21/89/56/792218956.db2.gz MHJLNVAQUODYNH-CHWSQXEVSA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099881970 792218948 /nfs/dbraw/zinc/21/89/48/792218948.db2.gz MHJLNVAQUODYNH-CHWSQXEVSA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099881971 792217748 /nfs/dbraw/zinc/21/77/48/792217748.db2.gz MHJLNVAQUODYNH-OLZOCXBDSA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099881971 792217737 /nfs/dbraw/zinc/21/77/37/792217737.db2.gz MHJLNVAQUODYNH-OLZOCXBDSA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099881972 792217659 /nfs/dbraw/zinc/21/76/59/792217659.db2.gz MHJLNVAQUODYNH-QWHCGFSZSA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099881972 792217649 /nfs/dbraw/zinc/21/76/49/792217649.db2.gz MHJLNVAQUODYNH-QWHCGFSZSA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099881973 792219441 /nfs/dbraw/zinc/21/94/41/792219441.db2.gz MHJLNVAQUODYNH-STQMWFEESA-N 1 2 348.407 -1.294 20 30 EAEDLO CCc1c[nH]c(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099881973 792219430 /nfs/dbraw/zinc/21/94/30/792219430.db2.gz MHJLNVAQUODYNH-STQMWFEESA-N 1 2 348.407 -1.294 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099882030 792218866 /nfs/dbraw/zinc/21/88/66/792218866.db2.gz NCKNOINSUDOMIS-NXEZZACHSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099882030 792218858 /nfs/dbraw/zinc/21/88/58/792218858.db2.gz NCKNOINSUDOMIS-NXEZZACHSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099882031 792217605 /nfs/dbraw/zinc/21/76/05/792217605.db2.gz NCKNOINSUDOMIS-UWVGGRQHSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099882031 792217598 /nfs/dbraw/zinc/21/75/98/792217598.db2.gz NCKNOINSUDOMIS-UWVGGRQHSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099882032 792217628 /nfs/dbraw/zinc/21/76/28/792217628.db2.gz NCKNOINSUDOMIS-VHSXEESVSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099882032 792217621 /nfs/dbraw/zinc/21/76/21/792217621.db2.gz NCKNOINSUDOMIS-VHSXEESVSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099882033 792217870 /nfs/dbraw/zinc/21/78/70/792217870.db2.gz NCKNOINSUDOMIS-ZJUUUORDSA-N 1 2 325.369 -2.311 20 30 EAEDLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099882033 792217861 /nfs/dbraw/zinc/21/78/61/792217861.db2.gz NCKNOINSUDOMIS-ZJUUUORDSA-N 1 2 325.369 -2.311 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001099882374 792218221 /nfs/dbraw/zinc/21/82/21/792218221.db2.gz RDEVRPHPLFPZOF-KBPBESRZSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001099882374 792218212 /nfs/dbraw/zinc/21/82/12/792218212.db2.gz RDEVRPHPLFPZOF-KBPBESRZSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001099882375 792218368 /nfs/dbraw/zinc/21/83/68/792218368.db2.gz RDEVRPHPLFPZOF-KGLIPLIRSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001099882375 792218364 /nfs/dbraw/zinc/21/83/64/792218364.db2.gz RDEVRPHPLFPZOF-KGLIPLIRSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc(CC)c[nH]2)[C@H](O)C1 ZINC001099882376 792219044 /nfs/dbraw/zinc/21/90/44/792219044.db2.gz RDEVRPHPLFPZOF-UONOGXRCSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc(CC)c[nH]2)[C@H](O)C1 ZINC001099882376 792219032 /nfs/dbraw/zinc/21/90/32/792219032.db2.gz RDEVRPHPLFPZOF-UONOGXRCSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@H](O)C1 ZINC001099882377 792218763 /nfs/dbraw/zinc/21/87/63/792218763.db2.gz RDEVRPHPLFPZOF-ZIAGYGMSSA-N 1 2 347.419 -1.185 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@H](O)C1 ZINC001099882377 792218757 /nfs/dbraw/zinc/21/87/57/792218757.db2.gz RDEVRPHPLFPZOF-ZIAGYGMSSA-N 1 2 347.419 -1.185 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099883002 792219350 /nfs/dbraw/zinc/21/93/50/792219350.db2.gz WHIAMIRIKFYWKZ-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099883002 792219341 /nfs/dbraw/zinc/21/93/41/792219341.db2.gz WHIAMIRIKFYWKZ-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099883003 792217780 /nfs/dbraw/zinc/21/77/80/792217780.db2.gz WHIAMIRIKFYWKZ-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099883003 792217774 /nfs/dbraw/zinc/21/77/74/792217774.db2.gz WHIAMIRIKFYWKZ-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099883004 792217806 /nfs/dbraw/zinc/21/78/06/792217806.db2.gz WHIAMIRIKFYWKZ-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099883004 792217803 /nfs/dbraw/zinc/21/78/03/792217803.db2.gz WHIAMIRIKFYWKZ-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099883005 792218661 /nfs/dbraw/zinc/21/86/61/792218661.db2.gz WHIAMIRIKFYWKZ-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099883005 792218652 /nfs/dbraw/zinc/21/86/52/792218652.db2.gz WHIAMIRIKFYWKZ-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099883294 792218195 /nfs/dbraw/zinc/21/81/95/792218195.db2.gz ZLZCOEAJYGFRKL-AAEUAGOBSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099883294 792218187 /nfs/dbraw/zinc/21/81/87/792218187.db2.gz ZLZCOEAJYGFRKL-AAEUAGOBSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099883295 792218347 /nfs/dbraw/zinc/21/83/47/792218347.db2.gz ZLZCOEAJYGFRKL-DGCLKSJQSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099883295 792218341 /nfs/dbraw/zinc/21/83/41/792218341.db2.gz ZLZCOEAJYGFRKL-DGCLKSJQSA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099883296 792218463 /nfs/dbraw/zinc/21/84/63/792218463.db2.gz ZLZCOEAJYGFRKL-WCQYABFASA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC001099883296 792218462 /nfs/dbraw/zinc/21/84/62/792218462.db2.gz ZLZCOEAJYGFRKL-WCQYABFASA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099883297 792217518 /nfs/dbraw/zinc/21/75/18/792217518.db2.gz ZLZCOEAJYGFRKL-YPMHNXCESA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001099883297 792217510 /nfs/dbraw/zinc/21/75/10/792217510.db2.gz ZLZCOEAJYGFRKL-YPMHNXCESA-N 1 2 346.391 -1.366 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884698 792218277 /nfs/dbraw/zinc/21/82/77/792218277.db2.gz BJMXMRZUGOEPSB-GHMZBOCLSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884698 792218269 /nfs/dbraw/zinc/21/82/69/792218269.db2.gz BJMXMRZUGOEPSB-GHMZBOCLSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884699 792218474 /nfs/dbraw/zinc/21/84/74/792218474.db2.gz BJMXMRZUGOEPSB-MNOVXSKESA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884699 792218471 /nfs/dbraw/zinc/21/84/71/792218471.db2.gz BJMXMRZUGOEPSB-MNOVXSKESA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884700 792218787 /nfs/dbraw/zinc/21/87/87/792218787.db2.gz BJMXMRZUGOEPSB-QWRGUYRKSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884700 792218779 /nfs/dbraw/zinc/21/87/79/792218779.db2.gz BJMXMRZUGOEPSB-QWRGUYRKSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884701 792218438 /nfs/dbraw/zinc/21/84/38/792218438.db2.gz BJMXMRZUGOEPSB-WDEREUQCSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884701 792218434 /nfs/dbraw/zinc/21/84/34/792218434.db2.gz BJMXMRZUGOEPSB-WDEREUQCSA-N 1 2 334.336 -2.013 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884706 792219479 /nfs/dbraw/zinc/21/94/79/792219479.db2.gz BLKJAISGFOIFHH-NEPJUHHUSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884706 792219473 /nfs/dbraw/zinc/21/94/73/792219473.db2.gz BLKJAISGFOIFHH-NEPJUHHUSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884707 792218408 /nfs/dbraw/zinc/21/84/08/792218408.db2.gz BLKJAISGFOIFHH-NWDGAFQWSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884707 792218405 /nfs/dbraw/zinc/21/84/05/792218405.db2.gz BLKJAISGFOIFHH-NWDGAFQWSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884708 792218006 /nfs/dbraw/zinc/21/80/06/792218006.db2.gz BLKJAISGFOIFHH-RYUDHWBXSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099884708 792217997 /nfs/dbraw/zinc/21/79/97/792217997.db2.gz BLKJAISGFOIFHH-RYUDHWBXSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884709 792219385 /nfs/dbraw/zinc/21/93/85/792219385.db2.gz BLKJAISGFOIFHH-VXGBXAGGSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099884709 792219379 /nfs/dbraw/zinc/21/93/79/792219379.db2.gz BLKJAISGFOIFHH-VXGBXAGGSA-N 1 2 335.364 -1.351 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099884786 792219909 /nfs/dbraw/zinc/21/99/09/792219909.db2.gz CJYJLNXXORSSLD-GHMZBOCLSA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099884786 792219900 /nfs/dbraw/zinc/21/99/00/792219900.db2.gz CJYJLNXXORSSLD-GHMZBOCLSA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099884787 792220224 /nfs/dbraw/zinc/22/02/24/792220224.db2.gz CJYJLNXXORSSLD-MNOVXSKESA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099884787 792220215 /nfs/dbraw/zinc/22/02/15/792220215.db2.gz CJYJLNXXORSSLD-MNOVXSKESA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099884788 792219797 /nfs/dbraw/zinc/21/97/97/792219797.db2.gz CJYJLNXXORSSLD-QWRGUYRKSA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099884788 792219793 /nfs/dbraw/zinc/21/97/93/792219793.db2.gz CJYJLNXXORSSLD-QWRGUYRKSA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099884789 792220697 /nfs/dbraw/zinc/22/06/97/792220697.db2.gz CJYJLNXXORSSLD-WDEREUQCSA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099884789 792220693 /nfs/dbraw/zinc/22/06/93/792220693.db2.gz CJYJLNXXORSSLD-WDEREUQCSA-N 1 2 335.364 -1.662 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099884862 792221108 /nfs/dbraw/zinc/22/11/08/792221108.db2.gz DFBOVMGMTNYMSY-CHWSQXEVSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099884862 792221098 /nfs/dbraw/zinc/22/10/98/792221098.db2.gz DFBOVMGMTNYMSY-CHWSQXEVSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099884863 792220511 /nfs/dbraw/zinc/22/05/11/792220511.db2.gz DFBOVMGMTNYMSY-OLZOCXBDSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099884863 792220508 /nfs/dbraw/zinc/22/05/08/792220508.db2.gz DFBOVMGMTNYMSY-OLZOCXBDSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099884864 792221482 /nfs/dbraw/zinc/22/14/82/792221482.db2.gz DFBOVMGMTNYMSY-QWHCGFSZSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099884864 792221472 /nfs/dbraw/zinc/22/14/72/792221472.db2.gz DFBOVMGMTNYMSY-QWHCGFSZSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099884865 792219935 /nfs/dbraw/zinc/21/99/35/792219935.db2.gz DFBOVMGMTNYMSY-STQMWFEESA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099884865 792219925 /nfs/dbraw/zinc/21/99/25/792219925.db2.gz DFBOVMGMTNYMSY-STQMWFEESA-N 1 2 336.417 -1.014 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099884998 792221929 /nfs/dbraw/zinc/22/19/29/792221929.db2.gz GUOAMBKATPSBAJ-KBPBESRZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099884998 792221922 /nfs/dbraw/zinc/22/19/22/792221922.db2.gz GUOAMBKATPSBAJ-KBPBESRZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099884999 792221844 /nfs/dbraw/zinc/22/18/44/792221844.db2.gz GUOAMBKATPSBAJ-KGLIPLIRSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099884999 792221836 /nfs/dbraw/zinc/22/18/36/792221836.db2.gz GUOAMBKATPSBAJ-KGLIPLIRSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099885000 792221866 /nfs/dbraw/zinc/22/18/66/792221866.db2.gz GUOAMBKATPSBAJ-UONOGXRCSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099885000 792221857 /nfs/dbraw/zinc/22/18/57/792221857.db2.gz GUOAMBKATPSBAJ-UONOGXRCSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099885001 792221272 /nfs/dbraw/zinc/22/12/72/792221272.db2.gz GUOAMBKATPSBAJ-ZIAGYGMSSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099885001 792221261 /nfs/dbraw/zinc/22/12/61/792221261.db2.gz GUOAMBKATPSBAJ-ZIAGYGMSSA-N 1 2 348.407 -1.213 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099885278 792221709 /nfs/dbraw/zinc/22/17/09/792221709.db2.gz KVSVVTBQMQDPJO-NEPJUHHUSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099885278 792221703 /nfs/dbraw/zinc/22/17/03/792221703.db2.gz KVSVVTBQMQDPJO-NEPJUHHUSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099885279 792220562 /nfs/dbraw/zinc/22/05/62/792220562.db2.gz KVSVVTBQMQDPJO-NWDGAFQWSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099885279 792220557 /nfs/dbraw/zinc/22/05/57/792220557.db2.gz KVSVVTBQMQDPJO-NWDGAFQWSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099885280 792220271 /nfs/dbraw/zinc/22/02/71/792220271.db2.gz KVSVVTBQMQDPJO-RYUDHWBXSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001099885280 792220265 /nfs/dbraw/zinc/22/02/65/792220265.db2.gz KVSVVTBQMQDPJO-RYUDHWBXSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099885281 792221151 /nfs/dbraw/zinc/22/11/51/792221151.db2.gz KVSVVTBQMQDPJO-VXGBXAGGSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 ZINC001099885281 792221144 /nfs/dbraw/zinc/22/11/44/792221144.db2.gz KVSVVTBQMQDPJO-VXGBXAGGSA-N 1 2 337.405 -1.123 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](O)C1 ZINC001099885670 792221781 /nfs/dbraw/zinc/22/17/81/792221781.db2.gz QKYAUHCBQNEHPX-CABCVRRESA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](O)C1 ZINC001099885670 792221772 /nfs/dbraw/zinc/22/17/72/792221772.db2.gz QKYAUHCBQNEHPX-CABCVRRESA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2CC)[C@@H](O)C1 ZINC001099885671 792221637 /nfs/dbraw/zinc/22/16/37/792221637.db2.gz QKYAUHCBQNEHPX-GJZGRUSLSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2CC)[C@@H](O)C1 ZINC001099885671 792221629 /nfs/dbraw/zinc/22/16/29/792221629.db2.gz QKYAUHCBQNEHPX-GJZGRUSLSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2CC)[C@H](O)C1 ZINC001099885672 792220056 /nfs/dbraw/zinc/22/00/56/792220056.db2.gz QKYAUHCBQNEHPX-HUUCEWRRSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2CC)[C@H](O)C1 ZINC001099885672 792220049 /nfs/dbraw/zinc/22/00/49/792220049.db2.gz QKYAUHCBQNEHPX-HUUCEWRRSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2CC)[C@H](O)C1 ZINC001099885673 792221424 /nfs/dbraw/zinc/22/14/24/792221424.db2.gz QKYAUHCBQNEHPX-LSDHHAIUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2CC)[C@H](O)C1 ZINC001099885673 792221416 /nfs/dbraw/zinc/22/14/16/792221416.db2.gz QKYAUHCBQNEHPX-LSDHHAIUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099885726 792220575 /nfs/dbraw/zinc/22/05/75/792220575.db2.gz RMYKWLQGXQGFHT-NEPJUHHUSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099885726 792220569 /nfs/dbraw/zinc/22/05/69/792220569.db2.gz RMYKWLQGXQGFHT-NEPJUHHUSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099885727 792220241 /nfs/dbraw/zinc/22/02/41/792220241.db2.gz RMYKWLQGXQGFHT-NWDGAFQWSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099885727 792220238 /nfs/dbraw/zinc/22/02/38/792220238.db2.gz RMYKWLQGXQGFHT-NWDGAFQWSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099885728 792220173 /nfs/dbraw/zinc/22/01/73/792220173.db2.gz RMYKWLQGXQGFHT-RYUDHWBXSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001099885728 792220171 /nfs/dbraw/zinc/22/01/71/792220171.db2.gz RMYKWLQGXQGFHT-RYUDHWBXSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099885729 792220793 /nfs/dbraw/zinc/22/07/93/792220793.db2.gz RMYKWLQGXQGFHT-VXGBXAGGSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001099885729 792220788 /nfs/dbraw/zinc/22/07/88/792220788.db2.gz RMYKWLQGXQGFHT-VXGBXAGGSA-N 1 2 333.348 -1.903 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099885878 792220974 /nfs/dbraw/zinc/22/09/74/792220974.db2.gz UKCSEGTZJFHEJR-GHMZBOCLSA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099885878 792220969 /nfs/dbraw/zinc/22/09/69/792220969.db2.gz UKCSEGTZJFHEJR-GHMZBOCLSA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099885879 792221801 /nfs/dbraw/zinc/22/18/01/792221801.db2.gz UKCSEGTZJFHEJR-MNOVXSKESA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099885879 792221793 /nfs/dbraw/zinc/22/17/93/792221793.db2.gz UKCSEGTZJFHEJR-MNOVXSKESA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099885880 792220818 /nfs/dbraw/zinc/22/08/18/792220818.db2.gz UKCSEGTZJFHEJR-QWRGUYRKSA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001099885880 792220810 /nfs/dbraw/zinc/22/08/10/792220810.db2.gz UKCSEGTZJFHEJR-QWRGUYRKSA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099885881 792220777 /nfs/dbraw/zinc/22/07/77/792220777.db2.gz UKCSEGTZJFHEJR-WDEREUQCSA-N 1 2 337.380 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC001099885881 792220773 /nfs/dbraw/zinc/22/07/73/792220773.db2.gz UKCSEGTZJFHEJR-WDEREUQCSA-N 1 2 337.380 -1.109 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC001099885958 792220409 /nfs/dbraw/zinc/22/04/09/792220409.db2.gz WCXPEBZJTPKBGM-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC001099885958 792220400 /nfs/dbraw/zinc/22/04/00/792220400.db2.gz WCXPEBZJTPKBGM-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 ZINC001099885959 792220293 /nfs/dbraw/zinc/22/02/93/792220293.db2.gz WCXPEBZJTPKBGM-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 ZINC001099885959 792220284 /nfs/dbraw/zinc/22/02/84/792220284.db2.gz WCXPEBZJTPKBGM-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC001099885960 792221668 /nfs/dbraw/zinc/22/16/68/792221668.db2.gz WCXPEBZJTPKBGM-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC001099885960 792221661 /nfs/dbraw/zinc/22/16/61/792221661.db2.gz WCXPEBZJTPKBGM-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 ZINC001099885961 792221825 /nfs/dbraw/zinc/22/18/25/792221825.db2.gz WCXPEBZJTPKBGM-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 ZINC001099885961 792221819 /nfs/dbraw/zinc/22/18/19/792221819.db2.gz WCXPEBZJTPKBGM-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099886046 792220886 /nfs/dbraw/zinc/22/08/86/792220886.db2.gz YCTNLRCUAAZDNH-NXEZZACHSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099886046 792220882 /nfs/dbraw/zinc/22/08/82/792220882.db2.gz YCTNLRCUAAZDNH-NXEZZACHSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099886047 792220611 /nfs/dbraw/zinc/22/06/11/792220611.db2.gz YCTNLRCUAAZDNH-UWVGGRQHSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099886047 792220608 /nfs/dbraw/zinc/22/06/08/792220608.db2.gz YCTNLRCUAAZDNH-UWVGGRQHSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099886048 792220196 /nfs/dbraw/zinc/22/01/96/792220196.db2.gz YCTNLRCUAAZDNH-VHSXEESVSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099886048 792220190 /nfs/dbraw/zinc/22/01/90/792220190.db2.gz YCTNLRCUAAZDNH-VHSXEESVSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099886049 792221327 /nfs/dbraw/zinc/22/13/27/792221327.db2.gz YCTNLRCUAAZDNH-ZJUUUORDSA-N 1 2 336.352 -1.772 20 30 EAEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099886049 792221318 /nfs/dbraw/zinc/22/13/18/792221318.db2.gz YCTNLRCUAAZDNH-ZJUUUORDSA-N 1 2 336.352 -1.772 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887266 792221046 /nfs/dbraw/zinc/22/10/46/792221046.db2.gz BRDKZNNUWPJUPD-NEPJUHHUSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887266 792221037 /nfs/dbraw/zinc/22/10/37/792221037.db2.gz BRDKZNNUWPJUPD-NEPJUHHUSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887267 792220082 /nfs/dbraw/zinc/22/00/82/792220082.db2.gz BRDKZNNUWPJUPD-NWDGAFQWSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887267 792220073 /nfs/dbraw/zinc/22/00/73/792220073.db2.gz BRDKZNNUWPJUPD-NWDGAFQWSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887268 792220728 /nfs/dbraw/zinc/22/07/28/792220728.db2.gz BRDKZNNUWPJUPD-RYUDHWBXSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887268 792220710 /nfs/dbraw/zinc/22/07/10/792220710.db2.gz BRDKZNNUWPJUPD-RYUDHWBXSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887269 792220750 /nfs/dbraw/zinc/22/07/50/792220750.db2.gz BRDKZNNUWPJUPD-VXGBXAGGSA-N 1 2 335.364 -1.351 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887269 792220745 /nfs/dbraw/zinc/22/07/45/792220745.db2.gz BRDKZNNUWPJUPD-VXGBXAGGSA-N 1 2 335.364 -1.351 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887386 792224201 /nfs/dbraw/zinc/22/42/01/792224201.db2.gz DJZHOWFIRUADLS-GHMZBOCLSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887386 792224195 /nfs/dbraw/zinc/22/41/95/792224195.db2.gz DJZHOWFIRUADLS-GHMZBOCLSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887387 792223029 /nfs/dbraw/zinc/22/30/29/792223029.db2.gz DJZHOWFIRUADLS-MNOVXSKESA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887387 792223024 /nfs/dbraw/zinc/22/30/24/792223024.db2.gz DJZHOWFIRUADLS-MNOVXSKESA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887388 792223836 /nfs/dbraw/zinc/22/38/36/792223836.db2.gz DJZHOWFIRUADLS-QWRGUYRKSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887388 792223825 /nfs/dbraw/zinc/22/38/25/792223825.db2.gz DJZHOWFIRUADLS-QWRGUYRKSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887389 792223935 /nfs/dbraw/zinc/22/39/35/792223935.db2.gz DJZHOWFIRUADLS-WDEREUQCSA-N 1 2 334.336 -2.013 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887389 792223927 /nfs/dbraw/zinc/22/39/27/792223927.db2.gz DJZHOWFIRUADLS-WDEREUQCSA-N 1 2 334.336 -2.013 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887986 792224164 /nfs/dbraw/zinc/22/41/64/792224164.db2.gz NISGCBHYIMLKQR-NEPJUHHUSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887986 792224158 /nfs/dbraw/zinc/22/41/58/792224158.db2.gz NISGCBHYIMLKQR-NEPJUHHUSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887987 792223967 /nfs/dbraw/zinc/22/39/67/792223967.db2.gz NISGCBHYIMLKQR-NWDGAFQWSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887987 792223960 /nfs/dbraw/zinc/22/39/60/792223960.db2.gz NISGCBHYIMLKQR-NWDGAFQWSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887988 792223215 /nfs/dbraw/zinc/22/32/15/792223215.db2.gz NISGCBHYIMLKQR-RYUDHWBXSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001099887988 792223210 /nfs/dbraw/zinc/22/32/10/792223210.db2.gz NISGCBHYIMLKQR-RYUDHWBXSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887989 792222345 /nfs/dbraw/zinc/22/23/45/792222345.db2.gz NISGCBHYIMLKQR-VXGBXAGGSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001099887989 792222335 /nfs/dbraw/zinc/22/23/35/792222335.db2.gz NISGCBHYIMLKQR-VXGBXAGGSA-N 1 2 333.348 -1.903 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 ZINC001099889772 792227001 /nfs/dbraw/zinc/22/70/01/792227001.db2.gz GKGZTYZMORGYRQ-AAEUAGOBSA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 ZINC001099889772 792226989 /nfs/dbraw/zinc/22/69/89/792226989.db2.gz GKGZTYZMORGYRQ-AAEUAGOBSA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 ZINC001099889773 792225883 /nfs/dbraw/zinc/22/58/83/792225883.db2.gz GKGZTYZMORGYRQ-DGCLKSJQSA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 ZINC001099889773 792225874 /nfs/dbraw/zinc/22/58/74/792225874.db2.gz GKGZTYZMORGYRQ-DGCLKSJQSA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 ZINC001099889774 792226419 /nfs/dbraw/zinc/22/64/19/792226419.db2.gz GKGZTYZMORGYRQ-WCQYABFASA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 ZINC001099889774 792226417 /nfs/dbraw/zinc/22/64/17/792226417.db2.gz GKGZTYZMORGYRQ-WCQYABFASA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 ZINC001099889775 792226263 /nfs/dbraw/zinc/22/62/63/792226263.db2.gz GKGZTYZMORGYRQ-YPMHNXCESA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 ZINC001099889775 792226257 /nfs/dbraw/zinc/22/62/57/792226257.db2.gz GKGZTYZMORGYRQ-YPMHNXCESA-N 1 2 349.391 -1.277 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099891983 792226307 /nfs/dbraw/zinc/22/63/07/792226307.db2.gz GJSOVCKRVDTKFE-KBPBESRZSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099891983 792226299 /nfs/dbraw/zinc/22/62/99/792226299.db2.gz GJSOVCKRVDTKFE-KBPBESRZSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099891985 792226973 /nfs/dbraw/zinc/22/69/73/792226973.db2.gz GJSOVCKRVDTKFE-KGLIPLIRSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099891985 792226966 /nfs/dbraw/zinc/22/69/66/792226966.db2.gz GJSOVCKRVDTKFE-KGLIPLIRSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099891988 792226289 /nfs/dbraw/zinc/22/62/89/792226289.db2.gz GJSOVCKRVDTKFE-UONOGXRCSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099891988 792226282 /nfs/dbraw/zinc/22/62/82/792226282.db2.gz GJSOVCKRVDTKFE-UONOGXRCSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099891990 792227521 /nfs/dbraw/zinc/22/75/21/792227521.db2.gz GJSOVCKRVDTKFE-ZIAGYGMSSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099891990 792227513 /nfs/dbraw/zinc/22/75/13/792227513.db2.gz GJSOVCKRVDTKFE-ZIAGYGMSSA-N 1 2 346.387 -1.700 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099892705 792227588 /nfs/dbraw/zinc/22/75/88/792227588.db2.gz NMPCJMMPCVTESK-KBPBESRZSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099892705 792227583 /nfs/dbraw/zinc/22/75/83/792227583.db2.gz NMPCJMMPCVTESK-KBPBESRZSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099892706 792227798 /nfs/dbraw/zinc/22/77/98/792227798.db2.gz NMPCJMMPCVTESK-KGLIPLIRSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001099892706 792227792 /nfs/dbraw/zinc/22/77/92/792227792.db2.gz NMPCJMMPCVTESK-KGLIPLIRSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099892707 792228190 /nfs/dbraw/zinc/22/81/90/792228190.db2.gz NMPCJMMPCVTESK-UONOGXRCSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099892707 792228184 /nfs/dbraw/zinc/22/81/84/792228184.db2.gz NMPCJMMPCVTESK-UONOGXRCSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099892708 792228562 /nfs/dbraw/zinc/22/85/62/792228562.db2.gz NMPCJMMPCVTESK-ZIAGYGMSSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC001099892708 792228554 /nfs/dbraw/zinc/22/85/54/792228554.db2.gz NMPCJMMPCVTESK-ZIAGYGMSSA-N 1 2 348.403 -1.148 20 30 EAEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099892845 792227996 /nfs/dbraw/zinc/22/79/96/792227996.db2.gz QCYXIAPWDKDWAE-CHWSQXEVSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099892845 792227990 /nfs/dbraw/zinc/22/79/90/792227990.db2.gz QCYXIAPWDKDWAE-CHWSQXEVSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099892846 792227478 /nfs/dbraw/zinc/22/74/78/792227478.db2.gz QCYXIAPWDKDWAE-OLZOCXBDSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099892846 792227475 /nfs/dbraw/zinc/22/74/75/792227475.db2.gz QCYXIAPWDKDWAE-OLZOCXBDSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099892847 792227875 /nfs/dbraw/zinc/22/78/75/792227875.db2.gz QCYXIAPWDKDWAE-QWHCGFSZSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cc1=O ZINC001099892847 792227868 /nfs/dbraw/zinc/22/78/68/792227868.db2.gz QCYXIAPWDKDWAE-QWHCGFSZSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099892848 792228106 /nfs/dbraw/zinc/22/81/06/792228106.db2.gz QCYXIAPWDKDWAE-STQMWFEESA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cc1=O ZINC001099892848 792228100 /nfs/dbraw/zinc/22/81/00/792228100.db2.gz QCYXIAPWDKDWAE-STQMWFEESA-N 1 2 347.375 -1.810 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894088 792228228 /nfs/dbraw/zinc/22/82/28/792228228.db2.gz DZUYRTQXFFWKBV-NEPJUHHUSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894088 792228220 /nfs/dbraw/zinc/22/82/20/792228220.db2.gz DZUYRTQXFFWKBV-NEPJUHHUSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894089 792228152 /nfs/dbraw/zinc/22/81/52/792228152.db2.gz DZUYRTQXFFWKBV-NWDGAFQWSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894089 792228148 /nfs/dbraw/zinc/22/81/48/792228148.db2.gz DZUYRTQXFFWKBV-NWDGAFQWSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894090 792227456 /nfs/dbraw/zinc/22/74/56/792227456.db2.gz DZUYRTQXFFWKBV-RYUDHWBXSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894090 792227449 /nfs/dbraw/zinc/22/74/49/792227449.db2.gz DZUYRTQXFFWKBV-RYUDHWBXSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894091 792228815 /nfs/dbraw/zinc/22/88/15/792228815.db2.gz DZUYRTQXFFWKBV-VXGBXAGGSA-N 1 2 346.815 -1.457 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894091 792228810 /nfs/dbraw/zinc/22/88/10/792228810.db2.gz DZUYRTQXFFWKBV-VXGBXAGGSA-N 1 2 346.815 -1.457 20 30 EAEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894460 792229418 /nfs/dbraw/zinc/22/94/18/792229418.db2.gz LDFOCTUSWCEJAT-CHWSQXEVSA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894460 792229410 /nfs/dbraw/zinc/22/94/10/792229410.db2.gz LDFOCTUSWCEJAT-CHWSQXEVSA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894461 792230860 /nfs/dbraw/zinc/23/08/60/792230860.db2.gz LDFOCTUSWCEJAT-OLZOCXBDSA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894461 792230853 /nfs/dbraw/zinc/23/08/53/792230853.db2.gz LDFOCTUSWCEJAT-OLZOCXBDSA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894462 792229573 /nfs/dbraw/zinc/22/95/73/792229573.db2.gz LDFOCTUSWCEJAT-QWHCGFSZSA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894462 792229564 /nfs/dbraw/zinc/22/95/64/792229564.db2.gz LDFOCTUSWCEJAT-QWHCGFSZSA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894463 792230646 /nfs/dbraw/zinc/23/06/46/792230646.db2.gz LDFOCTUSWCEJAT-STQMWFEESA-N 1 2 332.422 -1.378 20 30 EAEDLO C#CCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894463 792230638 /nfs/dbraw/zinc/23/06/38/792230638.db2.gz LDFOCTUSWCEJAT-STQMWFEESA-N 1 2 332.422 -1.378 20 30 EAEDLO CCOCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099897226 792232951 /nfs/dbraw/zinc/23/29/51/792232951.db2.gz SDFSSWHOOBDITC-CHWSQXEVSA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099897226 792232943 /nfs/dbraw/zinc/23/29/43/792232943.db2.gz SDFSSWHOOBDITC-CHWSQXEVSA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099897227 792233217 /nfs/dbraw/zinc/23/32/17/792233217.db2.gz SDFSSWHOOBDITC-OLZOCXBDSA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099897227 792233210 /nfs/dbraw/zinc/23/32/10/792233210.db2.gz SDFSSWHOOBDITC-OLZOCXBDSA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099897228 792232560 /nfs/dbraw/zinc/23/25/60/792232560.db2.gz SDFSSWHOOBDITC-QWHCGFSZSA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001099897228 792232553 /nfs/dbraw/zinc/23/25/53/792232553.db2.gz SDFSSWHOOBDITC-QWHCGFSZSA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099897230 792231556 /nfs/dbraw/zinc/23/15/56/792231556.db2.gz SDFSSWHOOBDITC-STQMWFEESA-N 1 2 338.408 -1.006 20 30 EAEDLO CCOCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001099897230 792231550 /nfs/dbraw/zinc/23/15/50/792231550.db2.gz SDFSSWHOOBDITC-STQMWFEESA-N 1 2 338.408 -1.006 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)[C@@H](O)C1 ZINC001099897885 792231875 /nfs/dbraw/zinc/23/18/75/792231875.db2.gz ZRKHIQUFIMWSRI-KBPBESRZSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)[C@@H](O)C1 ZINC001099897885 792231866 /nfs/dbraw/zinc/23/18/66/792231866.db2.gz ZRKHIQUFIMWSRI-KBPBESRZSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](O)C1 ZINC001099897886 792232326 /nfs/dbraw/zinc/23/23/26/792232326.db2.gz ZRKHIQUFIMWSRI-KGLIPLIRSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](O)C1 ZINC001099897886 792232318 /nfs/dbraw/zinc/23/23/18/792232318.db2.gz ZRKHIQUFIMWSRI-KGLIPLIRSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)[C@H](O)C1 ZINC001099897887 792231668 /nfs/dbraw/zinc/23/16/68/792231668.db2.gz ZRKHIQUFIMWSRI-UONOGXRCSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)[C@H](O)C1 ZINC001099897887 792231665 /nfs/dbraw/zinc/23/16/65/792231665.db2.gz ZRKHIQUFIMWSRI-UONOGXRCSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@H](O)C1 ZINC001099897888 792232364 /nfs/dbraw/zinc/23/23/64/792232364.db2.gz ZRKHIQUFIMWSRI-ZIAGYGMSSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@H](O)C1 ZINC001099897888 792232360 /nfs/dbraw/zinc/23/23/60/792232360.db2.gz ZRKHIQUFIMWSRI-ZIAGYGMSSA-N 1 2 349.366 -1.046 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CC)[C@@H](O)C1 ZINC001099898661 792231843 /nfs/dbraw/zinc/23/18/43/792231843.db2.gz FWBOFSMGCJPTFC-KBPBESRZSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CC)[C@@H](O)C1 ZINC001099898661 792231834 /nfs/dbraw/zinc/23/18/34/792231834.db2.gz FWBOFSMGCJPTFC-KBPBESRZSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](O)C1 ZINC001099898662 792231395 /nfs/dbraw/zinc/23/13/95/792231395.db2.gz FWBOFSMGCJPTFC-KGLIPLIRSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](O)C1 ZINC001099898662 792231391 /nfs/dbraw/zinc/23/13/91/792231391.db2.gz FWBOFSMGCJPTFC-KGLIPLIRSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CC)[C@H](O)C1 ZINC001099898663 792231690 /nfs/dbraw/zinc/23/16/90/792231690.db2.gz FWBOFSMGCJPTFC-UONOGXRCSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CC)[C@H](O)C1 ZINC001099898663 792231684 /nfs/dbraw/zinc/23/16/84/792231684.db2.gz FWBOFSMGCJPTFC-UONOGXRCSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CC)[C@H](O)C1 ZINC001099898664 792231815 /nfs/dbraw/zinc/23/18/15/792231815.db2.gz FWBOFSMGCJPTFC-ZIAGYGMSSA-N 1 2 333.392 -1.114 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CC)[C@H](O)C1 ZINC001099898664 792231797 /nfs/dbraw/zinc/23/17/97/792231797.db2.gz FWBOFSMGCJPTFC-ZIAGYGMSSA-N 1 2 333.392 -1.114 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ccn1 ZINC001099898705 792233669 /nfs/dbraw/zinc/23/36/69/792233669.db2.gz GOOOVERLTUTYNK-CHWSQXEVSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ccn1 ZINC001099898705 792233667 /nfs/dbraw/zinc/23/36/67/792233667.db2.gz GOOOVERLTUTYNK-CHWSQXEVSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ccn1 ZINC001099898706 792232640 /nfs/dbraw/zinc/23/26/40/792232640.db2.gz GOOOVERLTUTYNK-OLZOCXBDSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ccn1 ZINC001099898706 792232632 /nfs/dbraw/zinc/23/26/32/792232632.db2.gz GOOOVERLTUTYNK-OLZOCXBDSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ccn1 ZINC001099898707 792233688 /nfs/dbraw/zinc/23/36/88/792233688.db2.gz GOOOVERLTUTYNK-QWHCGFSZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ccn1 ZINC001099898707 792233683 /nfs/dbraw/zinc/23/36/83/792233683.db2.gz GOOOVERLTUTYNK-QWHCGFSZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ccn1 ZINC001099898708 792232687 /nfs/dbraw/zinc/23/26/87/792232687.db2.gz GOOOVERLTUTYNK-STQMWFEESA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ccn1 ZINC001099898708 792232679 /nfs/dbraw/zinc/23/26/79/792232679.db2.gz GOOOVERLTUTYNK-STQMWFEESA-N 1 2 347.375 -1.105 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899113 792231623 /nfs/dbraw/zinc/23/16/23/792231623.db2.gz NBVAJKYXRWHEJY-KBPBESRZSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899113 792231616 /nfs/dbraw/zinc/23/16/16/792231616.db2.gz NBVAJKYXRWHEJY-KBPBESRZSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899114 792232986 /nfs/dbraw/zinc/23/29/86/792232986.db2.gz NBVAJKYXRWHEJY-KGLIPLIRSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899114 792232978 /nfs/dbraw/zinc/23/29/78/792232978.db2.gz NBVAJKYXRWHEJY-KGLIPLIRSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899115 792233596 /nfs/dbraw/zinc/23/35/96/792233596.db2.gz NBVAJKYXRWHEJY-UONOGXRCSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899115 792233592 /nfs/dbraw/zinc/23/35/92/792233592.db2.gz NBVAJKYXRWHEJY-UONOGXRCSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899116 792232295 /nfs/dbraw/zinc/23/22/95/792232295.db2.gz NBVAJKYXRWHEJY-ZIAGYGMSSA-N 1 2 345.403 -1.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899116 792232286 /nfs/dbraw/zinc/23/22/86/792232286.db2.gz NBVAJKYXRWHEJY-ZIAGYGMSSA-N 1 2 345.403 -1.187 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899157 792233022 /nfs/dbraw/zinc/23/30/22/792233022.db2.gz NRDVCSLQVRSFHZ-CHWSQXEVSA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899157 792233013 /nfs/dbraw/zinc/23/30/13/792233013.db2.gz NRDVCSLQVRSFHZ-CHWSQXEVSA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899158 792232537 /nfs/dbraw/zinc/23/25/37/792232537.db2.gz NRDVCSLQVRSFHZ-OLZOCXBDSA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899158 792232529 /nfs/dbraw/zinc/23/25/29/792232529.db2.gz NRDVCSLQVRSFHZ-OLZOCXBDSA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899159 792231469 /nfs/dbraw/zinc/23/14/69/792231469.db2.gz NRDVCSLQVRSFHZ-QWHCGFSZSA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC001099899159 792231465 /nfs/dbraw/zinc/23/14/65/792231465.db2.gz NRDVCSLQVRSFHZ-QWHCGFSZSA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899160 792232250 /nfs/dbraw/zinc/23/22/50/792232250.db2.gz NRDVCSLQVRSFHZ-STQMWFEESA-N 1 2 346.391 -1.297 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001099899160 792232245 /nfs/dbraw/zinc/23/22/45/792232245.db2.gz NRDVCSLQVRSFHZ-STQMWFEESA-N 1 2 346.391 -1.297 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099901270 792236051 /nfs/dbraw/zinc/23/60/51/792236051.db2.gz GZTFPWRAYUZMMK-CHWSQXEVSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099901270 792236048 /nfs/dbraw/zinc/23/60/48/792236048.db2.gz GZTFPWRAYUZMMK-CHWSQXEVSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099901271 792235428 /nfs/dbraw/zinc/23/54/28/792235428.db2.gz GZTFPWRAYUZMMK-OLZOCXBDSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099901271 792235416 /nfs/dbraw/zinc/23/54/16/792235416.db2.gz GZTFPWRAYUZMMK-OLZOCXBDSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099901272 792234572 /nfs/dbraw/zinc/23/45/72/792234572.db2.gz GZTFPWRAYUZMMK-QWHCGFSZSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099901272 792234559 /nfs/dbraw/zinc/23/45/59/792234559.db2.gz GZTFPWRAYUZMMK-QWHCGFSZSA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099901273 792235868 /nfs/dbraw/zinc/23/58/68/792235868.db2.gz GZTFPWRAYUZMMK-STQMWFEESA-N 1 2 334.380 -1.223 20 30 EAEDLO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099901273 792235866 /nfs/dbraw/zinc/23/58/66/792235866.db2.gz GZTFPWRAYUZMMK-STQMWFEESA-N 1 2 334.380 -1.223 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2CC)[C@H](O)C1 ZINC001099901438 792236097 /nfs/dbraw/zinc/23/60/97/792236097.db2.gz JEYUAUIDRLKIMF-DZGCQCFKSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2CC)[C@H](O)C1 ZINC001099901438 792236089 /nfs/dbraw/zinc/23/60/89/792236089.db2.gz JEYUAUIDRLKIMF-DZGCQCFKSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](O)C1 ZINC001099901439 792234602 /nfs/dbraw/zinc/23/46/02/792234602.db2.gz JEYUAUIDRLKIMF-HIFRSBDPSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](O)C1 ZINC001099901439 792234593 /nfs/dbraw/zinc/23/45/93/792234593.db2.gz JEYUAUIDRLKIMF-HIFRSBDPSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2CC)[C@H](O)C1 ZINC001099901440 792234692 /nfs/dbraw/zinc/23/46/92/792234692.db2.gz JEYUAUIDRLKIMF-UKRRQHHQSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2CC)[C@H](O)C1 ZINC001099901440 792234685 /nfs/dbraw/zinc/23/46/85/792234685.db2.gz JEYUAUIDRLKIMF-UKRRQHHQSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2CC)[C@@H](O)C1 ZINC001099901441 792234970 /nfs/dbraw/zinc/23/49/70/792234970.db2.gz JEYUAUIDRLKIMF-ZFWWWQNUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2CC)[C@@H](O)C1 ZINC001099901441 792234965 /nfs/dbraw/zinc/23/49/65/792234965.db2.gz JEYUAUIDRLKIMF-ZFWWWQNUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099901902 792236604 /nfs/dbraw/zinc/23/66/04/792236604.db2.gz QBIICCFOALTBPT-KBPBESRZSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099901902 792236596 /nfs/dbraw/zinc/23/65/96/792236596.db2.gz QBIICCFOALTBPT-KBPBESRZSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099901903 792238127 /nfs/dbraw/zinc/23/81/27/792238127.db2.gz QBIICCFOALTBPT-KGLIPLIRSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099901903 792238117 /nfs/dbraw/zinc/23/81/17/792238117.db2.gz QBIICCFOALTBPT-KGLIPLIRSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099901904 792237438 /nfs/dbraw/zinc/23/74/38/792237438.db2.gz QBIICCFOALTBPT-UONOGXRCSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099901904 792237430 /nfs/dbraw/zinc/23/74/30/792237430.db2.gz QBIICCFOALTBPT-UONOGXRCSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099901905 792236989 /nfs/dbraw/zinc/23/69/89/792236989.db2.gz QBIICCFOALTBPT-ZIAGYGMSSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099901905 792236980 /nfs/dbraw/zinc/23/69/80/792236980.db2.gz QBIICCFOALTBPT-ZIAGYGMSSA-N 1 2 346.387 -1.700 20 30 EAEDLO CCc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099901994 792237736 /nfs/dbraw/zinc/23/77/36/792237736.db2.gz RMAGQAPBISXQHU-GXTWGEPZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099901994 792237725 /nfs/dbraw/zinc/23/77/25/792237725.db2.gz RMAGQAPBISXQHU-GXTWGEPZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099901995 792236704 /nfs/dbraw/zinc/23/67/04/792236704.db2.gz RMAGQAPBISXQHU-JSGCOSHPSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099901995 792236693 /nfs/dbraw/zinc/23/66/93/792236693.db2.gz RMAGQAPBISXQHU-JSGCOSHPSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099901996 792237613 /nfs/dbraw/zinc/23/76/13/792237613.db2.gz RMAGQAPBISXQHU-OCCSQVGLSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cnn1C ZINC001099901996 792237601 /nfs/dbraw/zinc/23/76/01/792237601.db2.gz RMAGQAPBISXQHU-OCCSQVGLSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099901997 792236441 /nfs/dbraw/zinc/23/64/41/792236441.db2.gz RMAGQAPBISXQHU-TZMCWYRMSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cnn1C ZINC001099901997 792236437 /nfs/dbraw/zinc/23/64/37/792236437.db2.gz RMAGQAPBISXQHU-TZMCWYRMSA-N 1 2 348.407 -1.213 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902026 792237217 /nfs/dbraw/zinc/23/72/17/792237217.db2.gz SETURHOKCNTFOS-NXEZZACHSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902026 792237211 /nfs/dbraw/zinc/23/72/11/792237211.db2.gz SETURHOKCNTFOS-NXEZZACHSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902027 792238532 /nfs/dbraw/zinc/23/85/32/792238532.db2.gz SETURHOKCNTFOS-UWVGGRQHSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902027 792238522 /nfs/dbraw/zinc/23/85/22/792238522.db2.gz SETURHOKCNTFOS-UWVGGRQHSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902028 792238725 /nfs/dbraw/zinc/23/87/25/792238725.db2.gz SETURHOKCNTFOS-VHSXEESVSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902028 792238717 /nfs/dbraw/zinc/23/87/17/792238717.db2.gz SETURHOKCNTFOS-VHSXEESVSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902029 792238224 /nfs/dbraw/zinc/23/82/24/792238224.db2.gz SETURHOKCNTFOS-ZJUUUORDSA-N 1 2 348.350 -1.779 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902029 792238217 /nfs/dbraw/zinc/23/82/17/792238217.db2.gz SETURHOKCNTFOS-ZJUUUORDSA-N 1 2 348.350 -1.779 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902266 792239386 /nfs/dbraw/zinc/23/93/86/792239386.db2.gz WKSCUGNTYGJJKL-BDAKNGLRSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902266 792239380 /nfs/dbraw/zinc/23/93/80/792239380.db2.gz WKSCUGNTYGJJKL-BDAKNGLRSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902267 792239236 /nfs/dbraw/zinc/23/92/36/792239236.db2.gz WKSCUGNTYGJJKL-DTWKUNHWSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902267 792239233 /nfs/dbraw/zinc/23/92/33/792239233.db2.gz WKSCUGNTYGJJKL-DTWKUNHWSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902268 792240956 /nfs/dbraw/zinc/24/09/56/792240956.db2.gz WKSCUGNTYGJJKL-IUCAKERBSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902268 792240945 /nfs/dbraw/zinc/24/09/45/792240945.db2.gz WKSCUGNTYGJJKL-IUCAKERBSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902269 792240013 /nfs/dbraw/zinc/24/00/13/792240013.db2.gz WKSCUGNTYGJJKL-RKDXNWHRSA-N 1 2 347.322 -2.441 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902269 792240004 /nfs/dbraw/zinc/24/00/04/792240004.db2.gz WKSCUGNTYGJJKL-RKDXNWHRSA-N 1 2 347.322 -2.441 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902330 792240416 /nfs/dbraw/zinc/24/04/16/792240416.db2.gz XPQBTHWTDNUCPM-NXEZZACHSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902330 792240410 /nfs/dbraw/zinc/24/04/10/792240410.db2.gz XPQBTHWTDNUCPM-NXEZZACHSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902331 792240327 /nfs/dbraw/zinc/24/03/27/792240327.db2.gz XPQBTHWTDNUCPM-UWVGGRQHSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902331 792240324 /nfs/dbraw/zinc/24/03/24/792240324.db2.gz XPQBTHWTDNUCPM-UWVGGRQHSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902332 792240775 /nfs/dbraw/zinc/24/07/75/792240775.db2.gz XPQBTHWTDNUCPM-VHSXEESVSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099902332 792240770 /nfs/dbraw/zinc/24/07/70/792240770.db2.gz XPQBTHWTDNUCPM-VHSXEESVSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902333 792240529 /nfs/dbraw/zinc/24/05/29/792240529.db2.gz XPQBTHWTDNUCPM-ZJUUUORDSA-N 1 2 346.334 -2.332 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099902333 792240520 /nfs/dbraw/zinc/24/05/20/792240520.db2.gz XPQBTHWTDNUCPM-ZJUUUORDSA-N 1 2 346.334 -2.332 20 30 EAEDLO Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099903581 792239703 /nfs/dbraw/zinc/23/97/03/792239703.db2.gz IMQDXLZKMKQOPP-CHWSQXEVSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099903581 792239692 /nfs/dbraw/zinc/23/96/92/792239692.db2.gz IMQDXLZKMKQOPP-CHWSQXEVSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099903582 792240652 /nfs/dbraw/zinc/24/06/52/792240652.db2.gz IMQDXLZKMKQOPP-OLZOCXBDSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099903582 792240641 /nfs/dbraw/zinc/24/06/41/792240641.db2.gz IMQDXLZKMKQOPP-OLZOCXBDSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099903583 792239186 /nfs/dbraw/zinc/23/91/86/792239186.db2.gz IMQDXLZKMKQOPP-QWHCGFSZSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099903583 792239181 /nfs/dbraw/zinc/23/91/81/792239181.db2.gz IMQDXLZKMKQOPP-QWHCGFSZSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099903584 792241112 /nfs/dbraw/zinc/24/11/12/792241112.db2.gz IMQDXLZKMKQOPP-STQMWFEESA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nnccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099903584 792241102 /nfs/dbraw/zinc/24/11/02/792241102.db2.gz IMQDXLZKMKQOPP-STQMWFEESA-N 1 2 332.364 -1.410 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 ZINC001099903941 792240929 /nfs/dbraw/zinc/24/09/29/792240929.db2.gz NIVHNQLMIIUKQY-KBPBESRZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 ZINC001099903941 792240922 /nfs/dbraw/zinc/24/09/22/792240922.db2.gz NIVHNQLMIIUKQY-KBPBESRZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 ZINC001099903942 792241080 /nfs/dbraw/zinc/24/10/80/792241080.db2.gz NIVHNQLMIIUKQY-KGLIPLIRSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 ZINC001099903942 792241068 /nfs/dbraw/zinc/24/10/68/792241068.db2.gz NIVHNQLMIIUKQY-KGLIPLIRSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2C)[C@H](O)C1 ZINC001099903943 792240990 /nfs/dbraw/zinc/24/09/90/792240990.db2.gz NIVHNQLMIIUKQY-UONOGXRCSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2C)[C@H](O)C1 ZINC001099903943 792240979 /nfs/dbraw/zinc/24/09/79/792240979.db2.gz NIVHNQLMIIUKQY-UONOGXRCSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2C)[C@H](O)C1 ZINC001099903944 792239894 /nfs/dbraw/zinc/23/98/94/792239894.db2.gz NIVHNQLMIIUKQY-ZIAGYGMSSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2C)[C@H](O)C1 ZINC001099903944 792239888 /nfs/dbraw/zinc/23/98/88/792239888.db2.gz NIVHNQLMIIUKQY-ZIAGYGMSSA-N 1 2 331.376 -1.301 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ccc1=O ZINC001099903965 792239772 /nfs/dbraw/zinc/23/97/72/792239772.db2.gz NYUODXPGYLMSBC-CHWSQXEVSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ccc1=O ZINC001099903965 792239764 /nfs/dbraw/zinc/23/97/64/792239764.db2.gz NYUODXPGYLMSBC-CHWSQXEVSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ccc1=O ZINC001099903966 792240243 /nfs/dbraw/zinc/24/02/43/792240243.db2.gz NYUODXPGYLMSBC-OLZOCXBDSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ccc1=O ZINC001099903966 792240236 /nfs/dbraw/zinc/24/02/36/792240236.db2.gz NYUODXPGYLMSBC-OLZOCXBDSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)ccc1=O ZINC001099903967 792240460 /nfs/dbraw/zinc/24/04/60/792240460.db2.gz NYUODXPGYLMSBC-QWHCGFSZSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)ccc1=O ZINC001099903967 792240449 /nfs/dbraw/zinc/24/04/49/792240449.db2.gz NYUODXPGYLMSBC-QWHCGFSZSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)ccc1=O ZINC001099903968 792239511 /nfs/dbraw/zinc/23/95/11/792239511.db2.gz NYUODXPGYLMSBC-STQMWFEESA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)ccc1=O ZINC001099903968 792239503 /nfs/dbraw/zinc/23/95/03/792239503.db2.gz NYUODXPGYLMSBC-STQMWFEESA-N 1 2 347.375 -1.810 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099904153 792240307 /nfs/dbraw/zinc/24/03/07/792240307.db2.gz RAMHZDWGBJHGAF-KBPBESRZSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099904153 792240304 /nfs/dbraw/zinc/24/03/04/792240304.db2.gz RAMHZDWGBJHGAF-KBPBESRZSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099904154 792241224 /nfs/dbraw/zinc/24/12/24/792241224.db2.gz RAMHZDWGBJHGAF-KGLIPLIRSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001099904154 792241214 /nfs/dbraw/zinc/24/12/14/792241214.db2.gz RAMHZDWGBJHGAF-KGLIPLIRSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099904155 792240748 /nfs/dbraw/zinc/24/07/48/792240748.db2.gz RAMHZDWGBJHGAF-UONOGXRCSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099904155 792240745 /nfs/dbraw/zinc/24/07/45/792240745.db2.gz RAMHZDWGBJHGAF-UONOGXRCSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099904156 792239478 /nfs/dbraw/zinc/23/94/78/792239478.db2.gz RAMHZDWGBJHGAF-ZIAGYGMSSA-N 1 2 348.403 -1.148 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC001099904156 792239473 /nfs/dbraw/zinc/23/94/73/792239473.db2.gz RAMHZDWGBJHGAF-ZIAGYGMSSA-N 1 2 348.403 -1.148 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099910955 792244580 /nfs/dbraw/zinc/24/45/80/792244580.db2.gz BDICSAKPINAIGN-CHWSQXEVSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099910955 792244576 /nfs/dbraw/zinc/24/45/76/792244576.db2.gz BDICSAKPINAIGN-CHWSQXEVSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099910956 792245917 /nfs/dbraw/zinc/24/59/17/792245917.db2.gz BDICSAKPINAIGN-OLZOCXBDSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099910956 792245911 /nfs/dbraw/zinc/24/59/11/792245911.db2.gz BDICSAKPINAIGN-OLZOCXBDSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099910957 792246203 /nfs/dbraw/zinc/24/62/03/792246203.db2.gz BDICSAKPINAIGN-QWHCGFSZSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099910957 792246196 /nfs/dbraw/zinc/24/61/96/792246196.db2.gz BDICSAKPINAIGN-QWHCGFSZSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099910958 792244800 /nfs/dbraw/zinc/24/48/00/792244800.db2.gz BDICSAKPINAIGN-STQMWFEESA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099910958 792244792 /nfs/dbraw/zinc/24/47/92/792244792.db2.gz BDICSAKPINAIGN-STQMWFEESA-N 1 2 347.375 -1.600 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001099911067 792245984 /nfs/dbraw/zinc/24/59/84/792245984.db2.gz CJJDNMQEVQZSOL-CHWSQXEVSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001099911067 792245979 /nfs/dbraw/zinc/24/59/79/792245979.db2.gz CJJDNMQEVQZSOL-CHWSQXEVSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001099911068 792244599 /nfs/dbraw/zinc/24/45/99/792244599.db2.gz CJJDNMQEVQZSOL-OLZOCXBDSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001099911068 792244591 /nfs/dbraw/zinc/24/45/91/792244591.db2.gz CJJDNMQEVQZSOL-OLZOCXBDSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001099911069 792246061 /nfs/dbraw/zinc/24/60/61/792246061.db2.gz CJJDNMQEVQZSOL-QWHCGFSZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001099911069 792246056 /nfs/dbraw/zinc/24/60/56/792246056.db2.gz CJJDNMQEVQZSOL-QWHCGFSZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001099911070 792244894 /nfs/dbraw/zinc/24/48/94/792244894.db2.gz CJJDNMQEVQZSOL-STQMWFEESA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001099911070 792244882 /nfs/dbraw/zinc/24/48/82/792244882.db2.gz CJJDNMQEVQZSOL-STQMWFEESA-N 1 2 347.375 -1.105 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099911175 792246424 /nfs/dbraw/zinc/24/64/24/792246424.db2.gz FEGASMWSYOKNHD-CHWSQXEVSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099911175 792246415 /nfs/dbraw/zinc/24/64/15/792246415.db2.gz FEGASMWSYOKNHD-CHWSQXEVSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099911176 792245000 /nfs/dbraw/zinc/24/50/00/792245000.db2.gz FEGASMWSYOKNHD-OLZOCXBDSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099911176 792244990 /nfs/dbraw/zinc/24/49/90/792244990.db2.gz FEGASMWSYOKNHD-OLZOCXBDSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099911177 792245635 /nfs/dbraw/zinc/24/56/35/792245635.db2.gz FEGASMWSYOKNHD-QWHCGFSZSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001099911177 792245625 /nfs/dbraw/zinc/24/56/25/792245625.db2.gz FEGASMWSYOKNHD-QWHCGFSZSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099911178 792245085 /nfs/dbraw/zinc/24/50/85/792245085.db2.gz FEGASMWSYOKNHD-STQMWFEESA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 ZINC001099911178 792245076 /nfs/dbraw/zinc/24/50/76/792245076.db2.gz FEGASMWSYOKNHD-STQMWFEESA-N 1 2 349.391 -1.048 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](O)C1 ZINC001099911369 792245658 /nfs/dbraw/zinc/24/56/58/792245658.db2.gz HXEKPPVBZVTUGW-CABCVRRESA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](O)C1 ZINC001099911369 792245651 /nfs/dbraw/zinc/24/56/51/792245651.db2.gz HXEKPPVBZVTUGW-CABCVRRESA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C)[C@@H](O)C1 ZINC001099911370 792245764 /nfs/dbraw/zinc/24/57/64/792245764.db2.gz HXEKPPVBZVTUGW-GJZGRUSLSA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C)[C@@H](O)C1 ZINC001099911370 792245756 /nfs/dbraw/zinc/24/57/56/792245756.db2.gz HXEKPPVBZVTUGW-GJZGRUSLSA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H](O)C1 ZINC001099911371 792245451 /nfs/dbraw/zinc/24/54/51/792245451.db2.gz HXEKPPVBZVTUGW-HUUCEWRRSA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H](O)C1 ZINC001099911371 792245442 /nfs/dbraw/zinc/24/54/42/792245442.db2.gz HXEKPPVBZVTUGW-HUUCEWRRSA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C)[C@H](O)C1 ZINC001099911372 792246603 /nfs/dbraw/zinc/24/66/03/792246603.db2.gz HXEKPPVBZVTUGW-LSDHHAIUSA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C)[C@H](O)C1 ZINC001099911372 792246594 /nfs/dbraw/zinc/24/65/94/792246594.db2.gz HXEKPPVBZVTUGW-LSDHHAIUSA-N 1 2 347.419 -1.199 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 ZINC001099911497 792245745 /nfs/dbraw/zinc/24/57/45/792245745.db2.gz KDEHAEMYBGUTFY-AAEUAGOBSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 ZINC001099911497 792245736 /nfs/dbraw/zinc/24/57/36/792245736.db2.gz KDEHAEMYBGUTFY-AAEUAGOBSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](O)C1 ZINC001099911498 792244923 /nfs/dbraw/zinc/24/49/23/792244923.db2.gz KDEHAEMYBGUTFY-DGCLKSJQSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](O)C1 ZINC001099911498 792244916 /nfs/dbraw/zinc/24/49/16/792244916.db2.gz KDEHAEMYBGUTFY-DGCLKSJQSA-N 1 2 349.391 -1.657 20 30 EAEDLO 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C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 ZINC001099912257 792244713 /nfs/dbraw/zinc/24/47/13/792244713.db2.gz WFJZOYRWRAOQJU-GHMZBOCLSA-N 1 2 348.359 -1.707 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC001099912258 792246230 /nfs/dbraw/zinc/24/62/30/792246230.db2.gz WFJZOYRWRAOQJU-MNOVXSKESA-N 1 2 348.359 -1.707 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC001099912258 792246222 /nfs/dbraw/zinc/24/62/22/792246222.db2.gz WFJZOYRWRAOQJU-MNOVXSKESA-N 1 2 348.359 -1.707 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC001099912259 792245852 /nfs/dbraw/zinc/24/58/52/792245852.db2.gz WFJZOYRWRAOQJU-QWRGUYRKSA-N 1 2 348.359 -1.707 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC001099912259 792245848 /nfs/dbraw/zinc/24/58/48/792245848.db2.gz WFJZOYRWRAOQJU-QWRGUYRKSA-N 1 2 348.359 -1.707 20 30 EAEDLO 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ZINC001099912274 792245144 /nfs/dbraw/zinc/24/51/44/792245144.db2.gz WQCZSEBPAZUCDF-KGLIPLIRSA-N 1 2 348.407 -1.309 20 30 EAEDLO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099912275 792244732 /nfs/dbraw/zinc/24/47/32/792244732.db2.gz WQCZSEBPAZUCDF-UONOGXRCSA-N 1 2 348.407 -1.309 20 30 EAEDLO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099912275 792244725 /nfs/dbraw/zinc/24/47/25/792244725.db2.gz WQCZSEBPAZUCDF-UONOGXRCSA-N 1 2 348.407 -1.309 20 30 EAEDLO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099912276 792246159 /nfs/dbraw/zinc/24/61/59/792246159.db2.gz WQCZSEBPAZUCDF-ZIAGYGMSSA-N 1 2 348.407 -1.309 20 30 EAEDLO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099912276 792246156 /nfs/dbraw/zinc/24/61/56/792246156.db2.gz WQCZSEBPAZUCDF-ZIAGYGMSSA-N 1 2 348.407 -1.309 20 30 EAEDLO COc1nccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099913125 792245042 /nfs/dbraw/zinc/24/50/42/792245042.db2.gz BUECYSUPRNFYTI-CMPLNLGQSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099913125 792245033 /nfs/dbraw/zinc/24/50/33/792245033.db2.gz BUECYSUPRNFYTI-CMPLNLGQSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099913126 792245538 /nfs/dbraw/zinc/24/55/38/792245538.db2.gz BUECYSUPRNFYTI-JQWIXIFHSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099913126 792245530 /nfs/dbraw/zinc/24/55/30/792245530.db2.gz BUECYSUPRNFYTI-JQWIXIFHSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099913127 792245785 /nfs/dbraw/zinc/24/57/85/792245785.db2.gz BUECYSUPRNFYTI-PWSUYJOCSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001099913127 792245780 /nfs/dbraw/zinc/24/57/80/792245780.db2.gz BUECYSUPRNFYTI-PWSUYJOCSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099913128 792247927 /nfs/dbraw/zinc/24/79/27/792247927.db2.gz BUECYSUPRNFYTI-ZYHUDNBSSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1nccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001099913128 792247922 /nfs/dbraw/zinc/24/79/22/792247922.db2.gz BUECYSUPRNFYTI-ZYHUDNBSSA-N 1 2 348.363 -1.710 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001099913665 792248026 /nfs/dbraw/zinc/24/80/26/792248026.db2.gz LJUFIKFNYSYPNN-CABCVRRESA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001099913665 792248018 /nfs/dbraw/zinc/24/80/18/792248018.db2.gz LJUFIKFNYSYPNN-CABCVRRESA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001099913666 792249171 /nfs/dbraw/zinc/24/91/71/792249171.db2.gz LJUFIKFNYSYPNN-GJZGRUSLSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001099913666 792249162 /nfs/dbraw/zinc/24/91/62/792249162.db2.gz LJUFIKFNYSYPNN-GJZGRUSLSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 ZINC001099913667 792246869 /nfs/dbraw/zinc/24/68/69/792246869.db2.gz LJUFIKFNYSYPNN-HUUCEWRRSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 ZINC001099913667 792246864 /nfs/dbraw/zinc/24/68/64/792246864.db2.gz LJUFIKFNYSYPNN-HUUCEWRRSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 ZINC001099913668 792249476 /nfs/dbraw/zinc/24/94/76/792249476.db2.gz LJUFIKFNYSYPNN-LSDHHAIUSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 ZINC001099913668 792249465 /nfs/dbraw/zinc/24/94/65/792249465.db2.gz LJUFIKFNYSYPNN-LSDHHAIUSA-N 1 2 347.419 -1.428 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099913757 792247792 /nfs/dbraw/zinc/24/77/92/792247792.db2.gz MWJVEWUQSBZAPO-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099913757 792247787 /nfs/dbraw/zinc/24/77/87/792247787.db2.gz MWJVEWUQSBZAPO-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099913758 792247912 /nfs/dbraw/zinc/24/79/12/792247912.db2.gz MWJVEWUQSBZAPO-DGCLKSJQSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099913758 792247906 /nfs/dbraw/zinc/24/79/06/792247906.db2.gz MWJVEWUQSBZAPO-DGCLKSJQSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099913759 792248303 /nfs/dbraw/zinc/24/83/03/792248303.db2.gz MWJVEWUQSBZAPO-WCQYABFASA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099913759 792248290 /nfs/dbraw/zinc/24/82/90/792248290.db2.gz MWJVEWUQSBZAPO-WCQYABFASA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099913760 792247943 /nfs/dbraw/zinc/24/79/43/792247943.db2.gz MWJVEWUQSBZAPO-YPMHNXCESA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099913760 792247939 /nfs/dbraw/zinc/24/79/39/792247939.db2.gz MWJVEWUQSBZAPO-YPMHNXCESA-N 1 2 347.375 -1.600 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099914070 792247727 /nfs/dbraw/zinc/24/77/27/792247727.db2.gz QSMSRSXFJJXRHP-AAEUAGOBSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099914070 792247719 /nfs/dbraw/zinc/24/77/19/792247719.db2.gz QSMSRSXFJJXRHP-AAEUAGOBSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099914071 792248184 /nfs/dbraw/zinc/24/81/84/792248184.db2.gz QSMSRSXFJJXRHP-DGCLKSJQSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099914071 792248171 /nfs/dbraw/zinc/24/81/71/792248171.db2.gz QSMSRSXFJJXRHP-DGCLKSJQSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099914072 792248339 /nfs/dbraw/zinc/24/83/39/792248339.db2.gz QSMSRSXFJJXRHP-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC001099914072 792248328 /nfs/dbraw/zinc/24/83/28/792248328.db2.gz QSMSRSXFJJXRHP-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099914073 792248535 /nfs/dbraw/zinc/24/85/35/792248535.db2.gz QSMSRSXFJJXRHP-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001099914073 792248526 /nfs/dbraw/zinc/24/85/26/792248526.db2.gz QSMSRSXFJJXRHP-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099914518 792248434 /nfs/dbraw/zinc/24/84/34/792248434.db2.gz UCEWOVFEHDUKNM-KBPBESRZSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099914518 792248428 /nfs/dbraw/zinc/24/84/28/792248428.db2.gz UCEWOVFEHDUKNM-KBPBESRZSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099914519 792249142 /nfs/dbraw/zinc/24/91/42/792249142.db2.gz UCEWOVFEHDUKNM-KGLIPLIRSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001099914519 792249135 /nfs/dbraw/zinc/24/91/35/792249135.db2.gz UCEWOVFEHDUKNM-KGLIPLIRSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099914520 792247854 /nfs/dbraw/zinc/24/78/54/792247854.db2.gz UCEWOVFEHDUKNM-UONOGXRCSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099914520 792247851 /nfs/dbraw/zinc/24/78/51/792247851.db2.gz UCEWOVFEHDUKNM-UONOGXRCSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099914521 792248607 /nfs/dbraw/zinc/24/86/07/792248607.db2.gz UCEWOVFEHDUKNM-ZIAGYGMSSA-N 1 2 348.407 -1.538 20 30 EAEDLO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001099914521 792248603 /nfs/dbraw/zinc/24/86/03/792248603.db2.gz UCEWOVFEHDUKNM-ZIAGYGMSSA-N 1 2 348.407 -1.538 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001099915825 792248824 /nfs/dbraw/zinc/24/88/24/792248824.db2.gz DZPZJRMDYZLXIL-CABCVRRESA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001099915825 792248815 /nfs/dbraw/zinc/24/88/15/792248815.db2.gz DZPZJRMDYZLXIL-CABCVRRESA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001099915826 792247490 /nfs/dbraw/zinc/24/74/90/792247490.db2.gz DZPZJRMDYZLXIL-GJZGRUSLSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001099915826 792247486 /nfs/dbraw/zinc/24/74/86/792247486.db2.gz DZPZJRMDYZLXIL-GJZGRUSLSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cncnc2)[C@H](O)C1 ZINC001099915827 792248846 /nfs/dbraw/zinc/24/88/46/792248846.db2.gz DZPZJRMDYZLXIL-HUUCEWRRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cncnc2)[C@H](O)C1 ZINC001099915827 792248836 /nfs/dbraw/zinc/24/88/36/792248836.db2.gz DZPZJRMDYZLXIL-HUUCEWRRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cncnc2)[C@H](O)C1 ZINC001099915828 792247882 /nfs/dbraw/zinc/24/78/82/792247882.db2.gz DZPZJRMDYZLXIL-LSDHHAIUSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cncnc2)[C@H](O)C1 ZINC001099915828 792247878 /nfs/dbraw/zinc/24/78/78/792247878.db2.gz DZPZJRMDYZLXIL-LSDHHAIUSA-N 1 2 345.403 -1.290 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099916413 792249381 /nfs/dbraw/zinc/24/93/81/792249381.db2.gz NFJXDHKEWUOOFI-CHWSQXEVSA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099916413 792249371 /nfs/dbraw/zinc/24/93/71/792249371.db2.gz NFJXDHKEWUOOFI-CHWSQXEVSA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099916414 792247068 /nfs/dbraw/zinc/24/70/68/792247068.db2.gz NFJXDHKEWUOOFI-OLZOCXBDSA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099916414 792247056 /nfs/dbraw/zinc/24/70/56/792247056.db2.gz NFJXDHKEWUOOFI-OLZOCXBDSA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099916415 792248000 /nfs/dbraw/zinc/24/80/00/792248000.db2.gz NFJXDHKEWUOOFI-QWHCGFSZSA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099916415 792247993 /nfs/dbraw/zinc/24/79/93/792247993.db2.gz NFJXDHKEWUOOFI-QWHCGFSZSA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099916416 792249110 /nfs/dbraw/zinc/24/91/10/792249110.db2.gz NFJXDHKEWUOOFI-STQMWFEESA-N 1 2 335.364 -1.202 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099916416 792249104 /nfs/dbraw/zinc/24/91/04/792249104.db2.gz NFJXDHKEWUOOFI-STQMWFEESA-N 1 2 335.364 -1.202 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)COC)[C@H](O)C1 ZINC001099918854 792247821 /nfs/dbraw/zinc/24/78/21/792247821.db2.gz RVUXJZUIEJZPBI-CHWSQXEVSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)COC)[C@H](O)C1 ZINC001099918854 792247816 /nfs/dbraw/zinc/24/78/16/792247816.db2.gz RVUXJZUIEJZPBI-CHWSQXEVSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001099918855 792247172 /nfs/dbraw/zinc/24/71/72/792247172.db2.gz RVUXJZUIEJZPBI-OLZOCXBDSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001099918855 792247165 /nfs/dbraw/zinc/24/71/65/792247165.db2.gz RVUXJZUIEJZPBI-OLZOCXBDSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)COC)[C@H](O)C1 ZINC001099918856 792249331 /nfs/dbraw/zinc/24/93/31/792249331.db2.gz RVUXJZUIEJZPBI-QWHCGFSZSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)COC)[C@H](O)C1 ZINC001099918856 792249322 /nfs/dbraw/zinc/24/93/22/792249322.db2.gz RVUXJZUIEJZPBI-QWHCGFSZSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001099918857 792247772 /nfs/dbraw/zinc/24/77/72/792247772.db2.gz RVUXJZUIEJZPBI-STQMWFEESA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001099918857 792247767 /nfs/dbraw/zinc/24/77/67/792247767.db2.gz RVUXJZUIEJZPBI-STQMWFEESA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099920793 792251354 /nfs/dbraw/zinc/25/13/54/792251354.db2.gz FTBYQVJHFVOLSX-KBPBESRZSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099920793 792251345 /nfs/dbraw/zinc/25/13/45/792251345.db2.gz FTBYQVJHFVOLSX-KBPBESRZSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099920794 792251210 /nfs/dbraw/zinc/25/12/10/792251210.db2.gz FTBYQVJHFVOLSX-KGLIPLIRSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099920794 792251207 /nfs/dbraw/zinc/25/12/07/792251207.db2.gz FTBYQVJHFVOLSX-KGLIPLIRSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099920795 792250126 /nfs/dbraw/zinc/25/01/26/792250126.db2.gz FTBYQVJHFVOLSX-UONOGXRCSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099920795 792250120 /nfs/dbraw/zinc/25/01/20/792250120.db2.gz FTBYQVJHFVOLSX-UONOGXRCSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099920796 792250802 /nfs/dbraw/zinc/25/08/02/792250802.db2.gz FTBYQVJHFVOLSX-ZIAGYGMSSA-N 1 2 346.387 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099920796 792250793 /nfs/dbraw/zinc/25/07/93/792250793.db2.gz FTBYQVJHFVOLSX-ZIAGYGMSSA-N 1 2 346.387 -1.370 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099921285 792251842 /nfs/dbraw/zinc/25/18/42/792251842.db2.gz MUSLDGXHIRODOT-CHWSQXEVSA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099921285 792251833 /nfs/dbraw/zinc/25/18/33/792251833.db2.gz MUSLDGXHIRODOT-CHWSQXEVSA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099921286 792251381 /nfs/dbraw/zinc/25/13/81/792251381.db2.gz MUSLDGXHIRODOT-OLZOCXBDSA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099921286 792251378 /nfs/dbraw/zinc/25/13/78/792251378.db2.gz MUSLDGXHIRODOT-OLZOCXBDSA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099921287 792251922 /nfs/dbraw/zinc/25/19/22/792251922.db2.gz MUSLDGXHIRODOT-QWHCGFSZSA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001099921287 792251913 /nfs/dbraw/zinc/25/19/13/792251913.db2.gz MUSLDGXHIRODOT-QWHCGFSZSA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099921288 792250053 /nfs/dbraw/zinc/25/00/53/792250053.db2.gz MUSLDGXHIRODOT-STQMWFEESA-N 1 2 347.375 -1.479 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001099921288 792250048 /nfs/dbraw/zinc/25/00/48/792250048.db2.gz MUSLDGXHIRODOT-STQMWFEESA-N 1 2 347.375 -1.479 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KAQWTGYTRFYSNW-KGLIPLIRSA-N 1 2 334.376 -1.092 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001099923813 792250704 /nfs/dbraw/zinc/25/07/04/792250704.db2.gz KAQWTGYTRFYSNW-KGLIPLIRSA-N 1 2 334.376 -1.092 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099923814 792251457 /nfs/dbraw/zinc/25/14/57/792251457.db2.gz KAQWTGYTRFYSNW-UONOGXRCSA-N 1 2 334.376 -1.092 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099923814 792251445 /nfs/dbraw/zinc/25/14/45/792251445.db2.gz KAQWTGYTRFYSNW-UONOGXRCSA-N 1 2 334.376 -1.092 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099923815 792251994 /nfs/dbraw/zinc/25/19/94/792251994.db2.gz KAQWTGYTRFYSNW-ZIAGYGMSSA-N 1 2 334.376 -1.092 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 ZINC001099923815 792251988 /nfs/dbraw/zinc/25/19/88/792251988.db2.gz KAQWTGYTRFYSNW-ZIAGYGMSSA-N 1 2 334.376 -1.092 20 30 EAEDLO 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N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935405 787711884 /nfs/dbraw/zinc/71/18/84/787711884.db2.gz NOAMBZCITPHHFR-VHSXEESVSA-N 1 2 334.323 -1.541 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935405 787711879 /nfs/dbraw/zinc/71/18/79/787711879.db2.gz NOAMBZCITPHHFR-VHSXEESVSA-N 1 2 334.323 -1.541 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935406 787711673 /nfs/dbraw/zinc/71/16/73/787711673.db2.gz NOAMBZCITPHHFR-ZJUUUORDSA-N 1 2 334.323 -1.541 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935406 787711671 /nfs/dbraw/zinc/71/16/71/787711671.db2.gz NOAMBZCITPHHFR-ZJUUUORDSA-N 1 2 334.323 -1.541 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935415 787710592 /nfs/dbraw/zinc/71/05/92/787710592.db2.gz NPFOEHZFWPVCQS-GHMZBOCLSA-N 1 2 333.335 -1.431 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935415 787710588 /nfs/dbraw/zinc/71/05/88/787710588.db2.gz NPFOEHZFWPVCQS-GHMZBOCLSA-N 1 2 333.335 -1.431 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935416 787711345 /nfs/dbraw/zinc/71/13/45/787711345.db2.gz NPFOEHZFWPVCQS-MNOVXSKESA-N 1 2 333.335 -1.431 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935416 787711339 /nfs/dbraw/zinc/71/13/39/787711339.db2.gz NPFOEHZFWPVCQS-MNOVXSKESA-N 1 2 333.335 -1.431 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935417 787711538 /nfs/dbraw/zinc/71/15/38/787711538.db2.gz NPFOEHZFWPVCQS-QWRGUYRKSA-N 1 2 333.335 -1.431 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935417 787711533 /nfs/dbraw/zinc/71/15/33/787711533.db2.gz NPFOEHZFWPVCQS-QWRGUYRKSA-N 1 2 333.335 -1.431 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935418 787711700 /nfs/dbraw/zinc/71/17/00/787711700.db2.gz NPFOEHZFWPVCQS-WDEREUQCSA-N 1 2 333.335 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N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 ZINC001099935965 792255425 /nfs/dbraw/zinc/25/54/25/792255425.db2.gz XONBHWUXNVOKDY-QWRGUYRKSA-N 1 2 349.347 -1.817 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 ZINC001099935965 792255416 /nfs/dbraw/zinc/25/54/16/792255416.db2.gz XONBHWUXNVOKDY-QWRGUYRKSA-N 1 2 349.347 -1.817 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 ZINC001099935966 792255953 /nfs/dbraw/zinc/25/59/53/792255953.db2.gz XONBHWUXNVOKDY-WDEREUQCSA-N 1 2 349.347 -1.817 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 ZINC001099935966 792255950 /nfs/dbraw/zinc/25/59/50/792255950.db2.gz XONBHWUXNVOKDY-WDEREUQCSA-N 1 2 349.347 -1.817 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099936586 792256717 /nfs/dbraw/zinc/25/67/17/792256717.db2.gz AMTTYRXLXNIZMS-CHWSQXEVSA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099936586 792256704 /nfs/dbraw/zinc/25/67/04/792256704.db2.gz AMTTYRXLXNIZMS-CHWSQXEVSA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099936587 792256549 /nfs/dbraw/zinc/25/65/49/792256549.db2.gz AMTTYRXLXNIZMS-OLZOCXBDSA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099936587 792256539 /nfs/dbraw/zinc/25/65/39/792256539.db2.gz AMTTYRXLXNIZMS-OLZOCXBDSA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099936588 792255275 /nfs/dbraw/zinc/25/52/75/792255275.db2.gz AMTTYRXLXNIZMS-QWHCGFSZSA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099936588 792255265 /nfs/dbraw/zinc/25/52/65/792255265.db2.gz AMTTYRXLXNIZMS-QWHCGFSZSA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099936589 792255908 /nfs/dbraw/zinc/25/59/08/792255908.db2.gz AMTTYRXLXNIZMS-STQMWFEESA-N 1 2 348.407 -1.158 20 30 EAEDLO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099936589 792255903 /nfs/dbraw/zinc/25/59/03/792255903.db2.gz AMTTYRXLXNIZMS-STQMWFEESA-N 1 2 348.407 -1.158 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001099936930 792256832 /nfs/dbraw/zinc/25/68/32/792256832.db2.gz GYYHPOAYJDSEPO-KBPBESRZSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001099936930 792256826 /nfs/dbraw/zinc/25/68/26/792256826.db2.gz GYYHPOAYJDSEPO-KBPBESRZSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001099936931 792256617 /nfs/dbraw/zinc/25/66/17/792256617.db2.gz GYYHPOAYJDSEPO-KGLIPLIRSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](O)C1 ZINC001099936931 792256610 /nfs/dbraw/zinc/25/66/10/792256610.db2.gz GYYHPOAYJDSEPO-KGLIPLIRSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@H](O)C1 ZINC001099936932 792256788 /nfs/dbraw/zinc/25/67/88/792256788.db2.gz GYYHPOAYJDSEPO-UONOGXRCSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@H](O)C1 ZINC001099936932 792256781 /nfs/dbraw/zinc/25/67/81/792256781.db2.gz GYYHPOAYJDSEPO-UONOGXRCSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@H](O)C1 ZINC001099936933 792256327 /nfs/dbraw/zinc/25/63/27/792256327.db2.gz GYYHPOAYJDSEPO-ZIAGYGMSSA-N 1 2 347.419 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@H](O)C1 ZINC001099936933 792256316 /nfs/dbraw/zinc/25/63/16/792256316.db2.gz GYYHPOAYJDSEPO-ZIAGYGMSSA-N 1 2 347.419 -1.049 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099938563 792257592 /nfs/dbraw/zinc/25/75/92/792257592.db2.gz XXWORELZPWVNDP-NXEZZACHSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099938563 792257590 /nfs/dbraw/zinc/25/75/90/792257590.db2.gz XXWORELZPWVNDP-NXEZZACHSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099938564 792257498 /nfs/dbraw/zinc/25/74/98/792257498.db2.gz XXWORELZPWVNDP-UWVGGRQHSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099938564 792257489 /nfs/dbraw/zinc/25/74/89/792257489.db2.gz XXWORELZPWVNDP-UWVGGRQHSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099938565 792258257 /nfs/dbraw/zinc/25/82/57/792258257.db2.gz XXWORELZPWVNDP-VHSXEESVSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099938565 792258248 /nfs/dbraw/zinc/25/82/48/792258248.db2.gz XXWORELZPWVNDP-VHSXEESVSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099938566 792259061 /nfs/dbraw/zinc/25/90/61/792259061.db2.gz XXWORELZPWVNDP-ZJUUUORDSA-N 1 2 340.833 -1.656 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099938566 792259057 /nfs/dbraw/zinc/25/90/57/792259057.db2.gz XXWORELZPWVNDP-ZJUUUORDSA-N 1 2 340.833 -1.656 20 30 EAEDLO N#CCNC(=O)CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940161 792257912 /nfs/dbraw/zinc/25/79/12/792257912.db2.gz RBHRYFQMTWNNHB-CHWSQXEVSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940162 792258084 /nfs/dbraw/zinc/25/80/84/792258084.db2.gz RBHRYFQMTWNNHB-OLZOCXBDSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940163 792258965 /nfs/dbraw/zinc/25/89/65/792258965.db2.gz RBHRYFQMTWNNHB-QWHCGFSZSA-N 1 2 334.380 -1.536 20 30 EAEDLO N#CCNC(=O)CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940164 792258096 /nfs/dbraw/zinc/25/80/96/792258096.db2.gz RBHRYFQMTWNNHB-STQMWFEESA-N 1 2 334.380 -1.536 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 ZINC001099941531 792260461 /nfs/dbraw/zinc/26/04/61/792260461.db2.gz CDWNZWMDPBECBU-CHWSQXEVSA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 ZINC001099941531 792260455 /nfs/dbraw/zinc/26/04/55/792260455.db2.gz CDWNZWMDPBECBU-CHWSQXEVSA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 ZINC001099941532 792260930 /nfs/dbraw/zinc/26/09/30/792260930.db2.gz CDWNZWMDPBECBU-OLZOCXBDSA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 ZINC001099941532 792260922 /nfs/dbraw/zinc/26/09/22/792260922.db2.gz CDWNZWMDPBECBU-OLZOCXBDSA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 ZINC001099941533 792260030 /nfs/dbraw/zinc/26/00/30/792260030.db2.gz CDWNZWMDPBECBU-QWHCGFSZSA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 ZINC001099941533 792260022 /nfs/dbraw/zinc/26/00/22/792260022.db2.gz CDWNZWMDPBECBU-QWHCGFSZSA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 ZINC001099941534 792260200 /nfs/dbraw/zinc/26/02/00/792260200.db2.gz CDWNZWMDPBECBU-STQMWFEESA-N 1 2 349.391 -1.389 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 ZINC001099941534 792260195 /nfs/dbraw/zinc/26/01/95/792260195.db2.gz CDWNZWMDPBECBU-STQMWFEESA-N 1 2 349.391 -1.389 20 30 EAEDLO COc1ccnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099941755 792260002 /nfs/dbraw/zinc/26/00/02/792260002.db2.gz GZEJBZNDQYLBLB-GXTWGEPZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099941755 792259992 /nfs/dbraw/zinc/25/99/92/792259992.db2.gz GZEJBZNDQYLBLB-GXTWGEPZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099941756 792260284 /nfs/dbraw/zinc/26/02/84/792260284.db2.gz GZEJBZNDQYLBLB-JSGCOSHPSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099941756 792260276 /nfs/dbraw/zinc/26/02/76/792260276.db2.gz GZEJBZNDQYLBLB-JSGCOSHPSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099941757 792261549 /nfs/dbraw/zinc/26/15/49/792261549.db2.gz GZEJBZNDQYLBLB-OCCSQVGLSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099941757 792261544 /nfs/dbraw/zinc/26/15/44/792261544.db2.gz GZEJBZNDQYLBLB-OCCSQVGLSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099941758 792260183 /nfs/dbraw/zinc/26/01/83/792260183.db2.gz GZEJBZNDQYLBLB-TZMCWYRMSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001099941758 792260175 /nfs/dbraw/zinc/26/01/75/792260175.db2.gz GZEJBZNDQYLBLB-TZMCWYRMSA-N 1 2 347.375 -1.105 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 ZINC001099942039 792260410 /nfs/dbraw/zinc/26/04/10/792260410.db2.gz LHVJRVHOJDANAF-CHWSQXEVSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 ZINC001099942039 792260406 /nfs/dbraw/zinc/26/04/06/792260406.db2.gz LHVJRVHOJDANAF-CHWSQXEVSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001099942040 792259645 /nfs/dbraw/zinc/25/96/45/792259645.db2.gz LHVJRVHOJDANAF-OLZOCXBDSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001099942040 792259636 /nfs/dbraw/zinc/25/96/36/792259636.db2.gz LHVJRVHOJDANAF-OLZOCXBDSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 ZINC001099942041 792260232 /nfs/dbraw/zinc/26/02/32/792260232.db2.gz LHVJRVHOJDANAF-QWHCGFSZSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 ZINC001099942041 792260226 /nfs/dbraw/zinc/26/02/26/792260226.db2.gz LHVJRVHOJDANAF-QWHCGFSZSA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001099942042 792260970 /nfs/dbraw/zinc/26/09/70/792260970.db2.gz LHVJRVHOJDANAF-STQMWFEESA-N 1 2 349.391 -1.657 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001099942042 792260963 /nfs/dbraw/zinc/26/09/63/792260963.db2.gz LHVJRVHOJDANAF-STQMWFEESA-N 1 2 349.391 -1.657 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944451 792263472 /nfs/dbraw/zinc/26/34/72/792263472.db2.gz NOPONZFIOVLDOS-CMPLNLGQSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944451 792263471 /nfs/dbraw/zinc/26/34/71/792263471.db2.gz NOPONZFIOVLDOS-CMPLNLGQSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944453 792263024 /nfs/dbraw/zinc/26/30/24/792263024.db2.gz NOPONZFIOVLDOS-JQWIXIFHSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944453 792263015 /nfs/dbraw/zinc/26/30/15/792263015.db2.gz NOPONZFIOVLDOS-JQWIXIFHSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944455 792263679 /nfs/dbraw/zinc/26/36/79/792263679.db2.gz NOPONZFIOVLDOS-PWSUYJOCSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944455 792263669 /nfs/dbraw/zinc/26/36/69/792263669.db2.gz NOPONZFIOVLDOS-PWSUYJOCSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944456 792264571 /nfs/dbraw/zinc/26/45/71/792264571.db2.gz NOPONZFIOVLDOS-ZYHUDNBSSA-N 1 2 337.380 -1.407 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944456 792264565 /nfs/dbraw/zinc/26/45/65/792264565.db2.gz NOPONZFIOVLDOS-ZYHUDNBSSA-N 1 2 337.380 -1.407 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944887 792263650 /nfs/dbraw/zinc/26/36/50/792263650.db2.gz SBUUCPDLISQMCW-CMPLNLGQSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944887 792263639 /nfs/dbraw/zinc/26/36/39/792263639.db2.gz SBUUCPDLISQMCW-CMPLNLGQSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944889 792262747 /nfs/dbraw/zinc/26/27/47/792262747.db2.gz SBUUCPDLISQMCW-JQWIXIFHSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944889 792262738 /nfs/dbraw/zinc/26/27/38/792262738.db2.gz SBUUCPDLISQMCW-JQWIXIFHSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944891 792262091 /nfs/dbraw/zinc/26/20/91/792262091.db2.gz SBUUCPDLISQMCW-PWSUYJOCSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001099944891 792262087 /nfs/dbraw/zinc/26/20/87/792262087.db2.gz SBUUCPDLISQMCW-PWSUYJOCSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944892 792263207 /nfs/dbraw/zinc/26/32/07/792263207.db2.gz SBUUCPDLISQMCW-ZYHUDNBSSA-N 1 2 335.364 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001099944892 792263198 /nfs/dbraw/zinc/26/31/98/792263198.db2.gz SBUUCPDLISQMCW-ZYHUDNBSSA-N 1 2 335.364 -1.960 20 30 EAEDLO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c[nH]c1=O ZINC001099945126 792263942 /nfs/dbraw/zinc/26/39/42/792263942.db2.gz VHZHRXNMOVJZBW-GXSJLCMTSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c[nH]c1=O ZINC001099945126 792263933 /nfs/dbraw/zinc/26/39/33/792263933.db2.gz VHZHRXNMOVJZBW-GXSJLCMTSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c[nH]c1=O ZINC001099945127 792263517 /nfs/dbraw/zinc/26/35/17/792263517.db2.gz VHZHRXNMOVJZBW-KOLCDFICSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c[nH]c1=O ZINC001099945127 792263513 /nfs/dbraw/zinc/26/35/13/792263513.db2.gz VHZHRXNMOVJZBW-KOLCDFICSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c[nH]c1=O ZINC001099945128 792263345 /nfs/dbraw/zinc/26/33/45/792263345.db2.gz VHZHRXNMOVJZBW-MWLCHTKSSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c[nH]c1=O ZINC001099945128 792263340 /nfs/dbraw/zinc/26/33/40/792263340.db2.gz VHZHRXNMOVJZBW-MWLCHTKSSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c[nH]c1=O ZINC001099945129 792263534 /nfs/dbraw/zinc/26/35/34/792263534.db2.gz VHZHRXNMOVJZBW-ONGXEEELSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c[nH]c1=O ZINC001099945129 792263533 /nfs/dbraw/zinc/26/35/33/792263533.db2.gz VHZHRXNMOVJZBW-ONGXEEELSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099947295 792264963 /nfs/dbraw/zinc/26/49/63/792264963.db2.gz TVMBGXUJTPBFFN-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099947295 792264958 /nfs/dbraw/zinc/26/49/58/792264958.db2.gz TVMBGXUJTPBFFN-NEPJUHHUSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099947296 792264997 /nfs/dbraw/zinc/26/49/97/792264997.db2.gz TVMBGXUJTPBFFN-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099947296 792264991 /nfs/dbraw/zinc/26/49/91/792264991.db2.gz TVMBGXUJTPBFFN-NWDGAFQWSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099947297 792267520 /nfs/dbraw/zinc/26/75/20/792267520.db2.gz TVMBGXUJTPBFFN-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099947297 792267510 /nfs/dbraw/zinc/26/75/10/792267510.db2.gz TVMBGXUJTPBFFN-RYUDHWBXSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099947298 792266040 /nfs/dbraw/zinc/26/60/40/792266040.db2.gz TVMBGXUJTPBFFN-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099947298 792266034 /nfs/dbraw/zinc/26/60/34/792266034.db2.gz TVMBGXUJTPBFFN-VXGBXAGGSA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC001099947299 792266134 /nfs/dbraw/zinc/26/61/34/792266134.db2.gz TXDKOYJIEJQTPL-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC001099947299 792266129 /nfs/dbraw/zinc/26/61/29/792266129.db2.gz TXDKOYJIEJQTPL-CHWSQXEVSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 ZINC001099947300 792267401 /nfs/dbraw/zinc/26/74/01/792267401.db2.gz TXDKOYJIEJQTPL-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 ZINC001099947300 792267390 /nfs/dbraw/zinc/26/73/90/792267390.db2.gz TXDKOYJIEJQTPL-OLZOCXBDSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC001099947301 792267111 /nfs/dbraw/zinc/26/71/11/792267111.db2.gz TXDKOYJIEJQTPL-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC001099947301 792267100 /nfs/dbraw/zinc/26/71/00/792267100.db2.gz TXDKOYJIEJQTPL-QWHCGFSZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 ZINC001099947302 792266806 /nfs/dbraw/zinc/26/68/06/792266806.db2.gz TXDKOYJIEJQTPL-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 ZINC001099947302 792266798 /nfs/dbraw/zinc/26/67/98/792266798.db2.gz TXDKOYJIEJQTPL-STQMWFEESA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951090 792266505 /nfs/dbraw/zinc/26/65/05/792266505.db2.gz ASORSBRKXLFVAO-GXSJLCMTSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951090 792266501 /nfs/dbraw/zinc/26/65/01/792266501.db2.gz ASORSBRKXLFVAO-GXSJLCMTSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951093 792266896 /nfs/dbraw/zinc/26/68/96/792266896.db2.gz ASORSBRKXLFVAO-KOLCDFICSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951093 792266888 /nfs/dbraw/zinc/26/68/88/792266888.db2.gz ASORSBRKXLFVAO-KOLCDFICSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951095 792265984 /nfs/dbraw/zinc/26/59/84/792265984.db2.gz ASORSBRKXLFVAO-MWLCHTKSSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951095 792265974 /nfs/dbraw/zinc/26/59/74/792265974.db2.gz ASORSBRKXLFVAO-MWLCHTKSSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951097 792267015 /nfs/dbraw/zinc/26/70/15/792267015.db2.gz ASORSBRKXLFVAO-ONGXEEELSA-N 1 2 338.389 -1.237 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951097 792267007 /nfs/dbraw/zinc/26/70/07/792267007.db2.gz ASORSBRKXLFVAO-ONGXEEELSA-N 1 2 338.389 -1.237 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951129 792265949 /nfs/dbraw/zinc/26/59/49/792265949.db2.gz BBDPRFJANRJDFN-PSASIEDQSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951129 792265940 /nfs/dbraw/zinc/26/59/40/792265940.db2.gz BBDPRFJANRJDFN-PSASIEDQSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951130 792266189 /nfs/dbraw/zinc/26/61/89/792266189.db2.gz BBDPRFJANRJDFN-SCZZXKLOSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951130 792266183 /nfs/dbraw/zinc/26/61/83/792266183.db2.gz BBDPRFJANRJDFN-SCZZXKLOSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951131 792266355 /nfs/dbraw/zinc/26/63/55/792266355.db2.gz BBDPRFJANRJDFN-WCBMZHEXSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC001099951131 792266351 /nfs/dbraw/zinc/26/63/51/792266351.db2.gz BBDPRFJANRJDFN-WCBMZHEXSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951132 792265271 /nfs/dbraw/zinc/26/52/71/792265271.db2.gz BBDPRFJANRJDFN-WPRPVWTQSA-N 1 2 339.377 -1.347 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001099951132 792265261 /nfs/dbraw/zinc/26/52/61/792265261.db2.gz BBDPRFJANRJDFN-WPRPVWTQSA-N 1 2 339.377 -1.347 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099959040 792266864 /nfs/dbraw/zinc/26/68/64/792266864.db2.gz BOAFZCQFAWFKGB-NEPJUHHUSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099959040 792266854 /nfs/dbraw/zinc/26/68/54/792266854.db2.gz BOAFZCQFAWFKGB-NEPJUHHUSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099959041 792266667 /nfs/dbraw/zinc/26/66/67/792266667.db2.gz BOAFZCQFAWFKGB-NWDGAFQWSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099959041 792266663 /nfs/dbraw/zinc/26/66/63/792266663.db2.gz BOAFZCQFAWFKGB-NWDGAFQWSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099959042 792267209 /nfs/dbraw/zinc/26/72/09/792267209.db2.gz BOAFZCQFAWFKGB-RYUDHWBXSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099959042 792267199 /nfs/dbraw/zinc/26/71/99/792267199.db2.gz BOAFZCQFAWFKGB-RYUDHWBXSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099959043 792266980 /nfs/dbraw/zinc/26/69/80/792266980.db2.gz BOAFZCQFAWFKGB-VXGBXAGGSA-N 1 2 349.391 -1.042 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099959043 792266975 /nfs/dbraw/zinc/26/69/75/792266975.db2.gz BOAFZCQFAWFKGB-VXGBXAGGSA-N 1 2 349.391 -1.042 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099960247 792266223 /nfs/dbraw/zinc/26/62/23/792266223.db2.gz QZIDNZMXNKHEEL-NEPJUHHUSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099960247 792266216 /nfs/dbraw/zinc/26/62/16/792266216.db2.gz QZIDNZMXNKHEEL-NEPJUHHUSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099960248 792265215 /nfs/dbraw/zinc/26/52/15/792265215.db2.gz QZIDNZMXNKHEEL-NWDGAFQWSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099960248 792265205 /nfs/dbraw/zinc/26/52/05/792265205.db2.gz QZIDNZMXNKHEEL-NWDGAFQWSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099960249 792267629 /nfs/dbraw/zinc/26/76/29/792267629.db2.gz QZIDNZMXNKHEEL-RYUDHWBXSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001099960249 792267624 /nfs/dbraw/zinc/26/76/24/792267624.db2.gz QZIDNZMXNKHEEL-RYUDHWBXSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099960250 792265291 /nfs/dbraw/zinc/26/52/91/792265291.db2.gz QZIDNZMXNKHEEL-VXGBXAGGSA-N 1 2 347.375 -1.595 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC001099960250 792265286 /nfs/dbraw/zinc/26/52/86/792265286.db2.gz QZIDNZMXNKHEEL-VXGBXAGGSA-N 1 2 347.375 -1.595 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099960775 792265472 /nfs/dbraw/zinc/26/54/72/792265472.db2.gz ZIGXKXIIMJTEMY-GHMZBOCLSA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099960775 792265464 /nfs/dbraw/zinc/26/54/64/792265464.db2.gz ZIGXKXIIMJTEMY-GHMZBOCLSA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099960776 792265500 /nfs/dbraw/zinc/26/55/00/792265500.db2.gz ZIGXKXIIMJTEMY-MNOVXSKESA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099960776 792265495 /nfs/dbraw/zinc/26/54/95/792265495.db2.gz ZIGXKXIIMJTEMY-MNOVXSKESA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099960777 792265442 /nfs/dbraw/zinc/26/54/42/792265442.db2.gz ZIGXKXIIMJTEMY-QWRGUYRKSA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099960777 792265437 /nfs/dbraw/zinc/26/54/37/792265437.db2.gz ZIGXKXIIMJTEMY-QWRGUYRKSA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099960778 792266284 /nfs/dbraw/zinc/26/62/84/792266284.db2.gz ZIGXKXIIMJTEMY-WDEREUQCSA-N 1 2 348.363 -1.705 20 30 EAEDLO Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099960778 792266279 /nfs/dbraw/zinc/26/62/79/792266279.db2.gz ZIGXKXIIMJTEMY-WDEREUQCSA-N 1 2 348.363 -1.705 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncccc2F)[C@H](O)C1 ZINC001099963992 792267999 /nfs/dbraw/zinc/26/79/99/792267999.db2.gz DVARDRQXHRMLNG-GXTWGEPZSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncccc2F)[C@H](O)C1 ZINC001099963992 792267986 /nfs/dbraw/zinc/26/79/86/792267986.db2.gz DVARDRQXHRMLNG-GXTWGEPZSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001099963993 792270099 /nfs/dbraw/zinc/27/00/99/792270099.db2.gz DVARDRQXHRMLNG-JSGCOSHPSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001099963993 792270090 /nfs/dbraw/zinc/27/00/90/792270090.db2.gz DVARDRQXHRMLNG-JSGCOSHPSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001099963994 792269803 /nfs/dbraw/zinc/26/98/03/792269803.db2.gz DVARDRQXHRMLNG-OCCSQVGLSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC001099963994 792269798 /nfs/dbraw/zinc/26/97/98/792269798.db2.gz DVARDRQXHRMLNG-OCCSQVGLSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)[C@H](O)C1 ZINC001099963995 792268484 /nfs/dbraw/zinc/26/84/84/792268484.db2.gz DVARDRQXHRMLNG-TZMCWYRMSA-N 1 2 349.366 -1.046 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)[C@H](O)C1 ZINC001099963995 792268480 /nfs/dbraw/zinc/26/84/80/792268480.db2.gz DVARDRQXHRMLNG-TZMCWYRMSA-N 1 2 349.366 -1.046 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1C ZINC001099964260 792268456 /nfs/dbraw/zinc/26/84/56/792268456.db2.gz JBFXKWZXMKWRBC-AAEUAGOBSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1C ZINC001099964260 792268447 /nfs/dbraw/zinc/26/84/47/792268447.db2.gz JBFXKWZXMKWRBC-AAEUAGOBSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1C ZINC001099964261 792268545 /nfs/dbraw/zinc/26/85/45/792268545.db2.gz JBFXKWZXMKWRBC-DGCLKSJQSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1C ZINC001099964261 792268542 /nfs/dbraw/zinc/26/85/42/792268542.db2.gz JBFXKWZXMKWRBC-DGCLKSJQSA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1C ZINC001099964262 792269219 /nfs/dbraw/zinc/26/92/19/792269219.db2.gz JBFXKWZXMKWRBC-WCQYABFASA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1C ZINC001099964262 792269213 /nfs/dbraw/zinc/26/92/13/792269213.db2.gz JBFXKWZXMKWRBC-WCQYABFASA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1C ZINC001099964263 792268034 /nfs/dbraw/zinc/26/80/34/792268034.db2.gz JBFXKWZXMKWRBC-YPMHNXCESA-N 1 2 334.380 -1.467 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1C ZINC001099964263 792268024 /nfs/dbraw/zinc/26/80/24/792268024.db2.gz JBFXKWZXMKWRBC-YPMHNXCESA-N 1 2 334.380 -1.467 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)[C@H](O)C1 ZINC001099965280 792268522 /nfs/dbraw/zinc/26/85/22/792268522.db2.gz WPPAWJTTYAHPRI-GXTWGEPZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)[C@H](O)C1 ZINC001099965280 792268511 /nfs/dbraw/zinc/26/85/11/792268511.db2.gz WPPAWJTTYAHPRI-GXTWGEPZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 ZINC001099965281 792269822 /nfs/dbraw/zinc/26/98/22/792269822.db2.gz WPPAWJTTYAHPRI-JSGCOSHPSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 ZINC001099965281 792269814 /nfs/dbraw/zinc/26/98/14/792269814.db2.gz WPPAWJTTYAHPRI-JSGCOSHPSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 ZINC001099965282 792269664 /nfs/dbraw/zinc/26/96/64/792269664.db2.gz WPPAWJTTYAHPRI-OCCSQVGLSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 ZINC001099965282 792269652 /nfs/dbraw/zinc/26/96/52/792269652.db2.gz WPPAWJTTYAHPRI-OCCSQVGLSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)n2C)[C@H](O)C1 ZINC001099965283 792268279 /nfs/dbraw/zinc/26/82/79/792268279.db2.gz WPPAWJTTYAHPRI-TZMCWYRMSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)n2C)[C@H](O)C1 ZINC001099965283 792268271 /nfs/dbraw/zinc/26/82/71/792268271.db2.gz WPPAWJTTYAHPRI-TZMCWYRMSA-N 1 2 333.392 -1.357 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099966935 792269595 /nfs/dbraw/zinc/26/95/95/792269595.db2.gz FQDQMOSTICVXDJ-GXSJLCMTSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099966935 792269586 /nfs/dbraw/zinc/26/95/86/792269586.db2.gz FQDQMOSTICVXDJ-GXSJLCMTSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099966936 792268733 /nfs/dbraw/zinc/26/87/33/792268733.db2.gz FQDQMOSTICVXDJ-KOLCDFICSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099966936 792268723 /nfs/dbraw/zinc/26/87/23/792268723.db2.gz FQDQMOSTICVXDJ-KOLCDFICSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099966937 792267953 /nfs/dbraw/zinc/26/79/53/792267953.db2.gz FQDQMOSTICVXDJ-MWLCHTKSSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099966937 792267942 /nfs/dbraw/zinc/26/79/42/792267942.db2.gz FQDQMOSTICVXDJ-MWLCHTKSSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099966938 792270079 /nfs/dbraw/zinc/27/00/79/792270079.db2.gz FQDQMOSTICVXDJ-ONGXEEELSA-N 1 2 334.336 -2.425 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099966938 792270070 /nfs/dbraw/zinc/27/00/70/792270070.db2.gz FQDQMOSTICVXDJ-ONGXEEELSA-N 1 2 334.336 -2.425 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967839 792269319 /nfs/dbraw/zinc/26/93/19/792269319.db2.gz UGSMWBLNCMMZPR-CMPLNLGQSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967839 792269311 /nfs/dbraw/zinc/26/93/11/792269311.db2.gz UGSMWBLNCMMZPR-CMPLNLGQSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967840 792268368 /nfs/dbraw/zinc/26/83/68/792268368.db2.gz UGSMWBLNCMMZPR-JQWIXIFHSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967840 792268362 /nfs/dbraw/zinc/26/83/62/792268362.db2.gz UGSMWBLNCMMZPR-JQWIXIFHSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967841 792268775 /nfs/dbraw/zinc/26/87/75/792268775.db2.gz UGSMWBLNCMMZPR-PWSUYJOCSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967841 792268770 /nfs/dbraw/zinc/26/87/70/792268770.db2.gz UGSMWBLNCMMZPR-PWSUYJOCSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967842 792270298 /nfs/dbraw/zinc/27/02/98/792270298.db2.gz UGSMWBLNCMMZPR-ZYHUDNBSSA-N 1 2 333.348 -2.316 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967842 792270292 /nfs/dbraw/zinc/27/02/92/792270292.db2.gz UGSMWBLNCMMZPR-ZYHUDNBSSA-N 1 2 333.348 -2.316 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967971 792269247 /nfs/dbraw/zinc/26/92/47/792269247.db2.gz WXADQUQUHHSZFS-CMPLNLGQSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967971 792269240 /nfs/dbraw/zinc/26/92/40/792269240.db2.gz WXADQUQUHHSZFS-CMPLNLGQSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967972 792268756 /nfs/dbraw/zinc/26/87/56/792268756.db2.gz WXADQUQUHHSZFS-JQWIXIFHSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967972 792268748 /nfs/dbraw/zinc/26/87/48/792268748.db2.gz WXADQUQUHHSZFS-JQWIXIFHSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967973 792270008 /nfs/dbraw/zinc/27/00/08/792270008.db2.gz WXADQUQUHHSZFS-PWSUYJOCSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967973 792270002 /nfs/dbraw/zinc/27/00/02/792270002.db2.gz WXADQUQUHHSZFS-PWSUYJOCSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967974 792270160 /nfs/dbraw/zinc/27/01/60/792270160.db2.gz WXADQUQUHHSZFS-ZYHUDNBSSA-N 1 2 335.364 -1.763 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967974 792270152 /nfs/dbraw/zinc/27/01/52/792270152.db2.gz WXADQUQUHHSZFS-ZYHUDNBSSA-N 1 2 335.364 -1.763 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099968893 792269544 /nfs/dbraw/zinc/26/95/44/792269544.db2.gz DRPYPQITRRUPMF-KBPBESRZSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099968893 792269539 /nfs/dbraw/zinc/26/95/39/792269539.db2.gz DRPYPQITRRUPMF-KBPBESRZSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099968894 792270033 /nfs/dbraw/zinc/27/00/33/792270033.db2.gz DRPYPQITRRUPMF-KGLIPLIRSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099968894 792270025 /nfs/dbraw/zinc/27/00/25/792270025.db2.gz DRPYPQITRRUPMF-KGLIPLIRSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099968895 792268937 /nfs/dbraw/zinc/26/89/37/792268937.db2.gz DRPYPQITRRUPMF-UONOGXRCSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099968895 792268930 /nfs/dbraw/zinc/26/89/30/792268930.db2.gz DRPYPQITRRUPMF-UONOGXRCSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099968896 792268706 /nfs/dbraw/zinc/26/87/06/792268706.db2.gz DRPYPQITRRUPMF-ZIAGYGMSSA-N 1 2 349.391 -1.900 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099968896 792268700 /nfs/dbraw/zinc/26/87/00/792268700.db2.gz DRPYPQITRRUPMF-ZIAGYGMSSA-N 1 2 349.391 -1.900 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971287 786433902 /nfs/dbraw/zinc/43/39/02/786433902.db2.gz FFOSJKRYHMFXIJ-BDAKNGLRSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971287 786433898 /nfs/dbraw/zinc/43/38/98/786433898.db2.gz FFOSJKRYHMFXIJ-BDAKNGLRSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971288 786433136 /nfs/dbraw/zinc/43/31/36/786433136.db2.gz FFOSJKRYHMFXIJ-DTWKUNHWSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971288 786433129 /nfs/dbraw/zinc/43/31/29/786433129.db2.gz FFOSJKRYHMFXIJ-DTWKUNHWSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971289 786433885 /nfs/dbraw/zinc/43/38/85/786433885.db2.gz FFOSJKRYHMFXIJ-IUCAKERBSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971289 786433884 /nfs/dbraw/zinc/43/38/84/786433884.db2.gz FFOSJKRYHMFXIJ-IUCAKERBSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971290 786433060 /nfs/dbraw/zinc/43/30/60/786433060.db2.gz FFOSJKRYHMFXIJ-RKDXNWHRSA-N 1 2 327.341 -2.965 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971290 786433053 /nfs/dbraw/zinc/43/30/53/786433053.db2.gz FFOSJKRYHMFXIJ-RKDXNWHRSA-N 1 2 327.341 -2.965 20 30 EAEDLO COc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099978474 792276131 /nfs/dbraw/zinc/27/61/31/792276131.db2.gz GRRZAVSJAWVETA-CHWSQXEVSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099978474 792276124 /nfs/dbraw/zinc/27/61/24/792276124.db2.gz GRRZAVSJAWVETA-CHWSQXEVSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099978475 792276663 /nfs/dbraw/zinc/27/66/63/792276663.db2.gz GRRZAVSJAWVETA-OLZOCXBDSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099978475 792276657 /nfs/dbraw/zinc/27/66/57/792276657.db2.gz GRRZAVSJAWVETA-OLZOCXBDSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099978476 792276237 /nfs/dbraw/zinc/27/62/37/792276237.db2.gz GRRZAVSJAWVETA-QWHCGFSZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099978476 792276232 /nfs/dbraw/zinc/27/62/32/792276232.db2.gz GRRZAVSJAWVETA-QWHCGFSZSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099978477 792276645 /nfs/dbraw/zinc/27/66/45/792276645.db2.gz GRRZAVSJAWVETA-STQMWFEESA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099978477 792276639 /nfs/dbraw/zinc/27/66/39/792276639.db2.gz GRRZAVSJAWVETA-STQMWFEESA-N 1 2 347.375 -1.105 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]c1=O ZINC001099982876 792282542 /nfs/dbraw/zinc/28/25/42/792282542.db2.gz AEGWOKCPKQGCOG-GXSJLCMTSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]c1=O ZINC001099982876 792282537 /nfs/dbraw/zinc/28/25/37/792282537.db2.gz AEGWOKCPKQGCOG-GXSJLCMTSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]c1=O ZINC001099982877 792282226 /nfs/dbraw/zinc/28/22/26/792282226.db2.gz AEGWOKCPKQGCOG-KOLCDFICSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]c1=O ZINC001099982877 792282222 /nfs/dbraw/zinc/28/22/22/792282222.db2.gz AEGWOKCPKQGCOG-KOLCDFICSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]c1=O ZINC001099982878 792280215 /nfs/dbraw/zinc/28/02/15/792280215.db2.gz AEGWOKCPKQGCOG-MWLCHTKSSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]c1=O ZINC001099982878 792280203 /nfs/dbraw/zinc/28/02/03/792280203.db2.gz AEGWOKCPKQGCOG-MWLCHTKSSA-N 1 2 336.352 -2.070 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]c1=O ZINC001099982879 792282315 /nfs/dbraw/zinc/28/23/15/792282315.db2.gz 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ZINC001099990143 792279985 /nfs/dbraw/zinc/27/99/85/792279985.db2.gz YQZMLSVUGWVULW-KGLIPLIRSA-N 1 2 336.392 -1.086 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001099990144 792282567 /nfs/dbraw/zinc/28/25/67/792282567.db2.gz YQZMLSVUGWVULW-UONOGXRCSA-N 1 2 336.392 -1.086 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001099990144 792282559 /nfs/dbraw/zinc/28/25/59/792282559.db2.gz YQZMLSVUGWVULW-UONOGXRCSA-N 1 2 336.392 -1.086 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001099990145 792281002 /nfs/dbraw/zinc/28/10/02/792281002.db2.gz YQZMLSVUGWVULW-ZIAGYGMSSA-N 1 2 336.392 -1.086 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 ZINC001099990145 792280997 /nfs/dbraw/zinc/28/09/97/792280997.db2.gz YQZMLSVUGWVULW-ZIAGYGMSSA-N 1 2 336.392 -1.086 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(C#C)c2)[C@@H](O)C1 ZINC001099991372 792280654 /nfs/dbraw/zinc/28/06/54/792280654.db2.gz JHSRZQXAHQQVDY-CVEARBPZSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(C#C)c2)[C@@H](O)C1 ZINC001099991372 792280643 /nfs/dbraw/zinc/28/06/43/792280643.db2.gz JHSRZQXAHQQVDY-CVEARBPZSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(C#C)c2)[C@@H](O)C1 ZINC001099991373 792280515 /nfs/dbraw/zinc/28/05/15/792280515.db2.gz JHSRZQXAHQQVDY-HOTGVXAUSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C#C)c2)[C@@H](O)C1 ZINC001099991373 792280504 /nfs/dbraw/zinc/28/05/04/792280504.db2.gz JHSRZQXAHQQVDY-HOTGVXAUSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(C#C)c2)[C@H](O)C1 ZINC001099991374 792281888 /nfs/dbraw/zinc/28/18/88/792281888.db2.gz JHSRZQXAHQQVDY-HZPDHXFCSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(C#C)c2)[C@H](O)C1 ZINC001099991374 792281877 /nfs/dbraw/zinc/28/18/77/792281877.db2.gz JHSRZQXAHQQVDY-HZPDHXFCSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(C#C)c2)[C@H](O)C1 ZINC001099991375 792281781 /nfs/dbraw/zinc/28/17/81/792281781.db2.gz JHSRZQXAHQQVDY-JKSUJKDBSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C#C)c2)[C@H](O)C1 ZINC001099991375 792281773 /nfs/dbraw/zinc/28/17/73/792281773.db2.gz JHSRZQXAHQQVDY-JKSUJKDBSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099991424 792279910 /nfs/dbraw/zinc/27/99/10/792279910.db2.gz KHZOGAFOTMZORZ-CHWSQXEVSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099991424 792279905 /nfs/dbraw/zinc/27/99/05/792279905.db2.gz KHZOGAFOTMZORZ-CHWSQXEVSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099991425 792280332 /nfs/dbraw/zinc/28/03/32/792280332.db2.gz KHZOGAFOTMZORZ-OLZOCXBDSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099991425 792280324 /nfs/dbraw/zinc/28/03/24/792280324.db2.gz KHZOGAFOTMZORZ-OLZOCXBDSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099991426 792281417 /nfs/dbraw/zinc/28/14/17/792281417.db2.gz KHZOGAFOTMZORZ-QWHCGFSZSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c1 ZINC001099991426 792281412 /nfs/dbraw/zinc/28/14/12/792281412.db2.gz KHZOGAFOTMZORZ-QWHCGFSZSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099991427 792282371 /nfs/dbraw/zinc/28/23/71/792282371.db2.gz KHZOGAFOTMZORZ-STQMWFEESA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1 ZINC001099991427 792282363 /nfs/dbraw/zinc/28/23/63/792282363.db2.gz KHZOGAFOTMZORZ-STQMWFEESA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001099992196 792283925 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HFTMUEWMCKHXDL-STQMWFEESA-N 1 2 333.392 -1.059 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001100005999 792285497 /nfs/dbraw/zinc/28/54/97/792285497.db2.gz KRXORTHESPRHGF-NEPJUHHUSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001100005999 792285496 /nfs/dbraw/zinc/28/54/96/792285496.db2.gz KRXORTHESPRHGF-NEPJUHHUSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001100006000 792286926 /nfs/dbraw/zinc/28/69/26/792286926.db2.gz KRXORTHESPRHGF-NWDGAFQWSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001100006000 792286922 /nfs/dbraw/zinc/28/69/22/792286922.db2.gz KRXORTHESPRHGF-NWDGAFQWSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001100006001 792286907 /nfs/dbraw/zinc/28/69/07/792286907.db2.gz KRXORTHESPRHGF-RYUDHWBXSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)[nH]1 ZINC001100006001 792286900 /nfs/dbraw/zinc/28/69/00/792286900.db2.gz KRXORTHESPRHGF-RYUDHWBXSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001100006002 792286789 /nfs/dbraw/zinc/28/67/89/792286789.db2.gz KRXORTHESPRHGF-VXGBXAGGSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)[nH]1 ZINC001100006002 792286781 /nfs/dbraw/zinc/28/67/81/792286781.db2.gz KRXORTHESPRHGF-VXGBXAGGSA-N 1 2 334.380 -1.169 20 30 EAEDLO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100006547 792286697 /nfs/dbraw/zinc/28/66/97/792286697.db2.gz RMHAZYSIEBWEEV-CHWSQXEVSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100006547 792286691 /nfs/dbraw/zinc/28/66/91/792286691.db2.gz RMHAZYSIEBWEEV-CHWSQXEVSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100006548 792286059 /nfs/dbraw/zinc/28/60/59/792286059.db2.gz RMHAZYSIEBWEEV-OLZOCXBDSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100006548 792286052 /nfs/dbraw/zinc/28/60/52/792286052.db2.gz RMHAZYSIEBWEEV-OLZOCXBDSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100006549 792287443 /nfs/dbraw/zinc/28/74/43/792287443.db2.gz RMHAZYSIEBWEEV-QWHCGFSZSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100006549 792287433 /nfs/dbraw/zinc/28/74/33/792287433.db2.gz RMHAZYSIEBWEEV-QWHCGFSZSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100006550 792286041 /nfs/dbraw/zinc/28/60/41/792286041.db2.gz RMHAZYSIEBWEEV-STQMWFEESA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100006550 792286036 /nfs/dbraw/zinc/28/60/36/792286036.db2.gz RMHAZYSIEBWEEV-STQMWFEESA-N 1 2 334.380 -1.617 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008022 786442895 /nfs/dbraw/zinc/44/28/95/786442895.db2.gz BYYRHGKIFBBJAI-BXKDBHETSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008022 786442889 /nfs/dbraw/zinc/44/28/89/786442889.db2.gz BYYRHGKIFBBJAI-BXKDBHETSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008023 786442370 /nfs/dbraw/zinc/44/23/70/786442370.db2.gz BYYRHGKIFBBJAI-CABZTGNLSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008023 786442365 /nfs/dbraw/zinc/44/23/65/786442365.db2.gz BYYRHGKIFBBJAI-CABZTGNLSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008024 792287001 /nfs/dbraw/zinc/28/70/01/792287001.db2.gz BYYRHGKIFBBJAI-JOYOIKCWSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008024 792286994 /nfs/dbraw/zinc/28/69/94/792286994.db2.gz BYYRHGKIFBBJAI-JOYOIKCWSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008025 792287726 /nfs/dbraw/zinc/28/77/26/792287726.db2.gz BYYRHGKIFBBJAI-SKDRFNHKSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008025 792287716 /nfs/dbraw/zinc/28/77/16/792287716.db2.gz BYYRHGKIFBBJAI-SKDRFNHKSA-N 1 2 348.363 -2.082 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008205 792287296 /nfs/dbraw/zinc/28/72/96/792287296.db2.gz DKFNVDYYSMSIIM-GWCFXTLKSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008205 792287287 /nfs/dbraw/zinc/28/72/87/792287287.db2.gz DKFNVDYYSMSIIM-GWCFXTLKSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008206 792286279 /nfs/dbraw/zinc/28/62/79/792286279.db2.gz DKFNVDYYSMSIIM-GXFFZTMASA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008206 792286273 /nfs/dbraw/zinc/28/62/73/792286273.db2.gz DKFNVDYYSMSIIM-GXFFZTMASA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008207 792287273 /nfs/dbraw/zinc/28/72/73/792287273.db2.gz DKFNVDYYSMSIIM-MFKMUULPSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008207 792287266 /nfs/dbraw/zinc/28/72/66/792287266.db2.gz DKFNVDYYSMSIIM-MFKMUULPSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008208 792287751 /nfs/dbraw/zinc/28/77/51/792287751.db2.gz DKFNVDYYSMSIIM-ZWNOBZJWSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008208 792287744 /nfs/dbraw/zinc/28/77/44/792287744.db2.gz DKFNVDYYSMSIIM-ZWNOBZJWSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100008617 792287542 /nfs/dbraw/zinc/28/75/42/792287542.db2.gz LJJJLDXXKRPVMY-KBPBESRZSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100008617 792287534 /nfs/dbraw/zinc/28/75/34/792287534.db2.gz LJJJLDXXKRPVMY-KBPBESRZSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100008618 792288088 /nfs/dbraw/zinc/28/80/88/792288088.db2.gz LJJJLDXXKRPVMY-KGLIPLIRSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100008618 792288076 /nfs/dbraw/zinc/28/80/76/792288076.db2.gz LJJJLDXXKRPVMY-KGLIPLIRSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100008619 792288053 /nfs/dbraw/zinc/28/80/53/792288053.db2.gz LJJJLDXXKRPVMY-UONOGXRCSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100008619 792288043 /nfs/dbraw/zinc/28/80/43/792288043.db2.gz LJJJLDXXKRPVMY-UONOGXRCSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100008620 792287387 /nfs/dbraw/zinc/28/73/87/792287387.db2.gz LJJJLDXXKRPVMY-ZIAGYGMSSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100008620 792287380 /nfs/dbraw/zinc/28/73/80/792287380.db2.gz LJJJLDXXKRPVMY-ZIAGYGMSSA-N 1 2 348.407 -1.952 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100008977 792287047 /nfs/dbraw/zinc/28/70/47/792287047.db2.gz QSELRYRPDDXUHV-CHWSQXEVSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100008977 792287039 /nfs/dbraw/zinc/28/70/39/792287039.db2.gz QSELRYRPDDXUHV-CHWSQXEVSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100008978 792287889 /nfs/dbraw/zinc/28/78/89/792287889.db2.gz QSELRYRPDDXUHV-OLZOCXBDSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100008978 792287880 /nfs/dbraw/zinc/28/78/80/792287880.db2.gz QSELRYRPDDXUHV-OLZOCXBDSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100008979 792286562 /nfs/dbraw/zinc/28/65/62/792286562.db2.gz QSELRYRPDDXUHV-QWHCGFSZSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100008979 792286555 /nfs/dbraw/zinc/28/65/55/792286555.db2.gz QSELRYRPDDXUHV-QWHCGFSZSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100008980 792286520 /nfs/dbraw/zinc/28/65/20/792286520.db2.gz QSELRYRPDDXUHV-STQMWFEESA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100008980 792286515 /nfs/dbraw/zinc/28/65/15/792286515.db2.gz QSELRYRPDDXUHV-STQMWFEESA-N 1 2 349.395 -2.061 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100009053 792286659 /nfs/dbraw/zinc/28/66/59/792286659.db2.gz RXHXRMMZMVQDEW-GWCFXTLKSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100009053 792286652 /nfs/dbraw/zinc/28/66/52/792286652.db2.gz RXHXRMMZMVQDEW-GWCFXTLKSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100009054 792286393 /nfs/dbraw/zinc/28/63/93/792286393.db2.gz RXHXRMMZMVQDEW-GXFFZTMASA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100009054 792286386 /nfs/dbraw/zinc/28/63/86/792286386.db2.gz RXHXRMMZMVQDEW-GXFFZTMASA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100009055 792286632 /nfs/dbraw/zinc/28/66/32/792286632.db2.gz RXHXRMMZMVQDEW-MFKMUULPSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100009055 792286625 /nfs/dbraw/zinc/28/66/25/792286625.db2.gz RXHXRMMZMVQDEW-MFKMUULPSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100009056 792287634 /nfs/dbraw/zinc/28/76/34/792287634.db2.gz RXHXRMMZMVQDEW-ZWNOBZJWSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100009056 792287624 /nfs/dbraw/zinc/28/76/24/792287624.db2.gz RXHXRMMZMVQDEW-ZWNOBZJWSA-N 1 2 349.391 -1.419 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c(=O)[nH]1 ZINC001100017003 792292626 /nfs/dbraw/zinc/29/26/26/792292626.db2.gz CNVMQKQNBTVFHT-CHWSQXEVSA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c(=O)[nH]1 ZINC001100017003 792292612 /nfs/dbraw/zinc/29/26/12/792292612.db2.gz CNVMQKQNBTVFHT-CHWSQXEVSA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c(=O)[nH]1 ZINC001100017004 792293896 /nfs/dbraw/zinc/29/38/96/792293896.db2.gz CNVMQKQNBTVFHT-OLZOCXBDSA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c(=O)[nH]1 ZINC001100017004 792293890 /nfs/dbraw/zinc/29/38/90/792293890.db2.gz CNVMQKQNBTVFHT-OLZOCXBDSA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c(=O)[nH]1 ZINC001100017005 792292307 /nfs/dbraw/zinc/29/23/07/792292307.db2.gz CNVMQKQNBTVFHT-QWHCGFSZSA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c(=O)[nH]1 ZINC001100017005 792292300 /nfs/dbraw/zinc/29/23/00/792292300.db2.gz CNVMQKQNBTVFHT-QWHCGFSZSA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c(=O)[nH]1 ZINC001100017006 792293922 /nfs/dbraw/zinc/29/39/22/792293922.db2.gz CNVMQKQNBTVFHT-STQMWFEESA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c(=O)[nH]1 ZINC001100017006 792293911 /nfs/dbraw/zinc/29/39/11/792293911.db2.gz CNVMQKQNBTVFHT-STQMWFEESA-N 1 2 347.375 -1.100 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100021615 792292098 /nfs/dbraw/zinc/29/20/98/792292098.db2.gz BMPPYGLHTIKZDP-CHWSQXEVSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100021615 792292091 /nfs/dbraw/zinc/29/20/91/792292091.db2.gz BMPPYGLHTIKZDP-CHWSQXEVSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100021616 792292425 /nfs/dbraw/zinc/29/24/25/792292425.db2.gz BMPPYGLHTIKZDP-OLZOCXBDSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100021616 792292416 /nfs/dbraw/zinc/29/24/16/792292416.db2.gz BMPPYGLHTIKZDP-OLZOCXBDSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100021617 792292766 /nfs/dbraw/zinc/29/27/66/792292766.db2.gz BMPPYGLHTIKZDP-QWHCGFSZSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100021617 792292760 /nfs/dbraw/zinc/29/27/60/792292760.db2.gz BMPPYGLHTIKZDP-QWHCGFSZSA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100021618 792293009 /nfs/dbraw/zinc/29/30/09/792293009.db2.gz BMPPYGLHTIKZDP-STQMWFEESA-N 1 2 334.380 -1.617 20 30 EAEDLO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100021618 792293005 /nfs/dbraw/zinc/29/30/05/792293005.db2.gz BMPPYGLHTIKZDP-STQMWFEESA-N 1 2 334.380 -1.617 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)[C@H](O)C1 ZINC001100022229 792293643 /nfs/dbraw/zinc/29/36/43/792293643.db2.gz IZOBDBODEMOZPD-GXTWGEPZSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)[C@H](O)C1 ZINC001100022229 792293637 /nfs/dbraw/zinc/29/36/37/792293637.db2.gz IZOBDBODEMOZPD-GXTWGEPZSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)[C@@H](O)C1 ZINC001100022230 792294468 /nfs/dbraw/zinc/29/44/68/792294468.db2.gz IZOBDBODEMOZPD-JSGCOSHPSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)[C@@H](O)C1 ZINC001100022230 792294453 /nfs/dbraw/zinc/29/44/53/792294453.db2.gz IZOBDBODEMOZPD-JSGCOSHPSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](O)C1 ZINC001100022231 792293542 /nfs/dbraw/zinc/29/35/42/792293542.db2.gz IZOBDBODEMOZPD-OCCSQVGLSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](O)C1 ZINC001100022231 792293539 /nfs/dbraw/zinc/29/35/39/792293539.db2.gz IZOBDBODEMOZPD-OCCSQVGLSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC)n2)[C@H](O)C1 ZINC001100022232 792293143 /nfs/dbraw/zinc/29/31/43/792293143.db2.gz IZOBDBODEMOZPD-TZMCWYRMSA-N 1 2 333.392 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC)n2)[C@H](O)C1 ZINC001100022232 792293132 /nfs/dbraw/zinc/29/31/32/792293132.db2.gz IZOBDBODEMOZPD-TZMCWYRMSA-N 1 2 333.392 -1.183 20 30 EAEDLO CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100022785 792296773 /nfs/dbraw/zinc/29/67/73/792296773.db2.gz RDMSKYNJPWFHDI-AAEUAGOBSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100022785 792296768 /nfs/dbraw/zinc/29/67/68/792296768.db2.gz RDMSKYNJPWFHDI-AAEUAGOBSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100022786 792296746 /nfs/dbraw/zinc/29/67/46/792296746.db2.gz RDMSKYNJPWFHDI-DGCLKSJQSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100022786 792296735 /nfs/dbraw/zinc/29/67/35/792296735.db2.gz RDMSKYNJPWFHDI-DGCLKSJQSA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100022787 792295346 /nfs/dbraw/zinc/29/53/46/792295346.db2.gz RDMSKYNJPWFHDI-WCQYABFASA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100022787 792295330 /nfs/dbraw/zinc/29/53/30/792295330.db2.gz RDMSKYNJPWFHDI-WCQYABFASA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100022788 792295684 /nfs/dbraw/zinc/29/56/84/792295684.db2.gz RDMSKYNJPWFHDI-YPMHNXCESA-N 1 2 334.380 -1.292 20 30 EAEDLO CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100022788 792295675 /nfs/dbraw/zinc/29/56/75/792295675.db2.gz RDMSKYNJPWFHDI-YPMHNXCESA-N 1 2 334.380 -1.292 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001100022905 792296668 /nfs/dbraw/zinc/29/66/68/792296668.db2.gz SXLXETSAUUOLED-KBPBESRZSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001100022905 792296658 /nfs/dbraw/zinc/29/66/58/792296658.db2.gz SXLXETSAUUOLED-KBPBESRZSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001100022906 792297417 /nfs/dbraw/zinc/29/74/17/792297417.db2.gz SXLXETSAUUOLED-KGLIPLIRSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001100022906 792297403 /nfs/dbraw/zinc/29/74/03/792297403.db2.gz SXLXETSAUUOLED-KGLIPLIRSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccc2C)[C@H](O)C1 ZINC001100022907 792295541 /nfs/dbraw/zinc/29/55/41/792295541.db2.gz SXLXETSAUUOLED-UONOGXRCSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccc2C)[C@H](O)C1 ZINC001100022907 792295535 /nfs/dbraw/zinc/29/55/35/792295535.db2.gz SXLXETSAUUOLED-UONOGXRCSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccc2C)[C@H](O)C1 ZINC001100022908 792295593 /nfs/dbraw/zinc/29/55/93/792295593.db2.gz SXLXETSAUUOLED-ZIAGYGMSSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccc2C)[C@H](O)C1 ZINC001100022908 792295585 /nfs/dbraw/zinc/29/55/85/792295585.db2.gz SXLXETSAUUOLED-ZIAGYGMSSA-N 1 2 333.392 -1.508 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024061 792296936 /nfs/dbraw/zinc/29/69/36/792296936.db2.gz DHTLVDOTPRLUJO-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024061 792296929 /nfs/dbraw/zinc/29/69/29/792296929.db2.gz DHTLVDOTPRLUJO-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024062 792296858 /nfs/dbraw/zinc/29/68/58/792296858.db2.gz DHTLVDOTPRLUJO-DGCLKSJQSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024062 792296854 /nfs/dbraw/zinc/29/68/54/792296854.db2.gz DHTLVDOTPRLUJO-DGCLKSJQSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024063 792296605 /nfs/dbraw/zinc/29/66/05/792296605.db2.gz DHTLVDOTPRLUJO-WCQYABFASA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024063 792296599 /nfs/dbraw/zinc/29/65/99/792296599.db2.gz DHTLVDOTPRLUJO-WCQYABFASA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024064 792295059 /nfs/dbraw/zinc/29/50/59/792295059.db2.gz DHTLVDOTPRLUJO-YPMHNXCESA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024064 792295044 /nfs/dbraw/zinc/29/50/44/792295044.db2.gz DHTLVDOTPRLUJO-YPMHNXCESA-N 1 2 347.375 -1.600 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100024577 792296798 /nfs/dbraw/zinc/29/67/98/792296798.db2.gz MKCGDWZSJLRVEP-NEPJUHHUSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100024577 792296793 /nfs/dbraw/zinc/29/67/93/792296793.db2.gz MKCGDWZSJLRVEP-NEPJUHHUSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100024578 786445377 /nfs/dbraw/zinc/44/53/77/786445377.db2.gz MKCGDWZSJLRVEP-NWDGAFQWSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100024578 786445372 /nfs/dbraw/zinc/44/53/72/786445372.db2.gz MKCGDWZSJLRVEP-NWDGAFQWSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100024579 786445574 /nfs/dbraw/zinc/44/55/74/786445574.db2.gz MKCGDWZSJLRVEP-RYUDHWBXSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100024579 786445573 /nfs/dbraw/zinc/44/55/73/786445573.db2.gz MKCGDWZSJLRVEP-RYUDHWBXSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100024580 786445479 /nfs/dbraw/zinc/44/54/79/786445479.db2.gz MKCGDWZSJLRVEP-VXGBXAGGSA-N 1 2 337.405 -1.123 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100024580 786445476 /nfs/dbraw/zinc/44/54/76/786445476.db2.gz MKCGDWZSJLRVEP-VXGBXAGGSA-N 1 2 337.405 -1.123 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024733 792297118 /nfs/dbraw/zinc/29/71/18/792297118.db2.gz OTOCHZGEXADSDR-AAEUAGOBSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024733 792297108 /nfs/dbraw/zinc/29/71/08/792297108.db2.gz OTOCHZGEXADSDR-AAEUAGOBSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024734 792295614 /nfs/dbraw/zinc/29/56/14/792295614.db2.gz OTOCHZGEXADSDR-DGCLKSJQSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024734 792295606 /nfs/dbraw/zinc/29/56/06/792295606.db2.gz OTOCHZGEXADSDR-DGCLKSJQSA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024735 792295159 /nfs/dbraw/zinc/29/51/59/792295159.db2.gz OTOCHZGEXADSDR-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC001100024735 792295150 /nfs/dbraw/zinc/29/51/50/792295150.db2.gz OTOCHZGEXADSDR-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024736 792296116 /nfs/dbraw/zinc/29/61/16/792296116.db2.gz OTOCHZGEXADSDR-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001100024736 792296107 /nfs/dbraw/zinc/29/61/07/792296107.db2.gz OTOCHZGEXADSDR-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100025304 792296374 /nfs/dbraw/zinc/29/63/74/792296374.db2.gz VKFPUMHDHRTJLT-CHWSQXEVSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100025304 792296357 /nfs/dbraw/zinc/29/63/57/792296357.db2.gz VKFPUMHDHRTJLT-CHWSQXEVSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100025306 792295437 /nfs/dbraw/zinc/29/54/37/792295437.db2.gz VKFPUMHDHRTJLT-OLZOCXBDSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100025306 792295428 /nfs/dbraw/zinc/29/54/28/792295428.db2.gz VKFPUMHDHRTJLT-OLZOCXBDSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100025308 792296187 /nfs/dbraw/zinc/29/61/87/792296187.db2.gz VKFPUMHDHRTJLT-QWHCGFSZSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 ZINC001100025308 792296174 /nfs/dbraw/zinc/29/61/74/792296174.db2.gz VKFPUMHDHRTJLT-QWHCGFSZSA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100025310 792296434 /nfs/dbraw/zinc/29/64/34/792296434.db2.gz VKFPUMHDHRTJLT-STQMWFEESA-N 1 2 336.417 -1.014 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001100025310 792296430 /nfs/dbraw/zinc/29/64/30/792296430.db2.gz VKFPUMHDHRTJLT-STQMWFEESA-N 1 2 336.417 -1.014 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100026418 792298004 /nfs/dbraw/zinc/29/80/04/792298004.db2.gz DFUWRXVPOWQOJA-NEPJUHHUSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100026418 792297997 /nfs/dbraw/zinc/29/79/97/792297997.db2.gz DFUWRXVPOWQOJA-NEPJUHHUSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001100026419 786445631 /nfs/dbraw/zinc/44/56/31/786445631.db2.gz DFUWRXVPOWQOJA-NWDGAFQWSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001100026419 786445629 /nfs/dbraw/zinc/44/56/29/786445629.db2.gz DFUWRXVPOWQOJA-NWDGAFQWSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100026420 786445611 /nfs/dbraw/zinc/44/56/11/786445611.db2.gz DFUWRXVPOWQOJA-RYUDHWBXSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100026420 786445610 /nfs/dbraw/zinc/44/56/10/786445610.db2.gz DFUWRXVPOWQOJA-RYUDHWBXSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001100026421 786445951 /nfs/dbraw/zinc/44/59/51/786445951.db2.gz DFUWRXVPOWQOJA-VXGBXAGGSA-N 1 2 326.397 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001100026421 786445946 /nfs/dbraw/zinc/44/59/46/786445946.db2.gz DFUWRXVPOWQOJA-VXGBXAGGSA-N 1 2 326.397 -1.682 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100026897 792299612 /nfs/dbraw/zinc/29/96/12/792299612.db2.gz JPCKLKOEIBINBH-GXTWGEPZSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100026897 792299601 /nfs/dbraw/zinc/29/96/01/792299601.db2.gz JPCKLKOEIBINBH-GXTWGEPZSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100026898 792298881 /nfs/dbraw/zinc/29/88/81/792298881.db2.gz JPCKLKOEIBINBH-JSGCOSHPSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100026898 792298871 /nfs/dbraw/zinc/29/88/71/792298871.db2.gz JPCKLKOEIBINBH-JSGCOSHPSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100026899 792299096 /nfs/dbraw/zinc/29/90/96/792299096.db2.gz JPCKLKOEIBINBH-OCCSQVGLSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100026899 792299088 /nfs/dbraw/zinc/29/90/88/792299088.db2.gz JPCKLKOEIBINBH-OCCSQVGLSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100026900 792299164 /nfs/dbraw/zinc/29/91/64/792299164.db2.gz JPCKLKOEIBINBH-TZMCWYRMSA-N 1 2 346.391 -1.622 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100026900 792299160 /nfs/dbraw/zinc/29/91/60/792299160.db2.gz JPCKLKOEIBINBH-TZMCWYRMSA-N 1 2 346.391 -1.622 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC)C[C@@H]2O)nn1 ZINC001100027069 792299874 /nfs/dbraw/zinc/29/98/74/792299874.db2.gz LRACWXHFNSHYGI-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC)C[C@@H]2O)nn1 ZINC001100027069 792299862 /nfs/dbraw/zinc/29/98/62/792299862.db2.gz LRACWXHFNSHYGI-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC)C[C@H]2O)nn1 ZINC001100027070 792298765 /nfs/dbraw/zinc/29/87/65/792298765.db2.gz LRACWXHFNSHYGI-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC)C[C@H]2O)nn1 ZINC001100027070 792298753 /nfs/dbraw/zinc/29/87/53/792298753.db2.gz LRACWXHFNSHYGI-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC)C[C@H]2O)nn1 ZINC001100027071 792297983 /nfs/dbraw/zinc/29/79/83/792297983.db2.gz LRACWXHFNSHYGI-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC)C[C@H]2O)nn1 ZINC001100027071 792297975 /nfs/dbraw/zinc/29/79/75/792297975.db2.gz LRACWXHFNSHYGI-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC)C[C@@H]2O)nn1 ZINC001100027072 792298170 /nfs/dbraw/zinc/29/81/70/792298170.db2.gz LRACWXHFNSHYGI-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC)C[C@@H]2O)nn1 ZINC001100027072 792298163 /nfs/dbraw/zinc/29/81/63/792298163.db2.gz LRACWXHFNSHYGI-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100027369 792299910 /nfs/dbraw/zinc/29/99/10/792299910.db2.gz PUXVWLSDHVKQDQ-GHMZBOCLSA-N 1 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CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100027372 792298138 /nfs/dbraw/zinc/29/81/38/792298138.db2.gz PUXVWLSDHVKQDQ-WDEREUQCSA-N 1 2 325.369 -2.344 20 30 EAEDLO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100027372 792298134 /nfs/dbraw/zinc/29/81/34/792298134.db2.gz PUXVWLSDHVKQDQ-WDEREUQCSA-N 1 2 325.369 -2.344 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100027869 792300635 /nfs/dbraw/zinc/30/06/35/792300635.db2.gz YRAAFYIYASLYIH-GXTWGEPZSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100027869 792300626 /nfs/dbraw/zinc/30/06/26/792300626.db2.gz YRAAFYIYASLYIH-GXTWGEPZSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100027870 792302602 /nfs/dbraw/zinc/30/26/02/792302602.db2.gz YRAAFYIYASLYIH-JSGCOSHPSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100027870 792302590 /nfs/dbraw/zinc/30/25/90/792302590.db2.gz YRAAFYIYASLYIH-JSGCOSHPSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100027871 792301846 /nfs/dbraw/zinc/30/18/46/792301846.db2.gz YRAAFYIYASLYIH-OCCSQVGLSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001100027871 792301831 /nfs/dbraw/zinc/30/18/31/792301831.db2.gz YRAAFYIYASLYIH-OCCSQVGLSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100027872 792302190 /nfs/dbraw/zinc/30/21/90/792302190.db2.gz YRAAFYIYASLYIH-TZMCWYRMSA-N 1 2 348.407 -1.069 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 ZINC001100027872 792302182 /nfs/dbraw/zinc/30/21/82/792302182.db2.gz YRAAFYIYASLYIH-TZMCWYRMSA-N 1 2 348.407 -1.069 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100029282 792303292 /nfs/dbraw/zinc/30/32/92/792303292.db2.gz LSEFFOTZLZBVEI-KBPBESRZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100029282 792303285 /nfs/dbraw/zinc/30/32/85/792303285.db2.gz LSEFFOTZLZBVEI-KBPBESRZSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100029283 792302042 /nfs/dbraw/zinc/30/20/42/792302042.db2.gz LSEFFOTZLZBVEI-KGLIPLIRSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100029283 792302031 /nfs/dbraw/zinc/30/20/31/792302031.db2.gz LSEFFOTZLZBVEI-KGLIPLIRSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100029284 792302101 /nfs/dbraw/zinc/30/21/01/792302101.db2.gz LSEFFOTZLZBVEI-UONOGXRCSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100029284 792302089 /nfs/dbraw/zinc/30/20/89/792302089.db2.gz LSEFFOTZLZBVEI-UONOGXRCSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100029285 792301805 /nfs/dbraw/zinc/30/18/05/792301805.db2.gz LSEFFOTZLZBVEI-ZIAGYGMSSA-N 1 2 333.392 -1.357 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100029285 792301793 /nfs/dbraw/zinc/30/17/93/792301793.db2.gz LSEFFOTZLZBVEI-ZIAGYGMSSA-N 1 2 333.392 -1.357 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nc(C)n1 ZINC001100029286 792302338 /nfs/dbraw/zinc/30/23/38/792302338.db2.gz LSNPVBHCZSGOLA-GXTWGEPZSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nc(C)n1 ZINC001100029286 792302328 /nfs/dbraw/zinc/30/23/28/792302328.db2.gz LSNPVBHCZSGOLA-GXTWGEPZSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nc(C)n1 ZINC001100029287 792301440 /nfs/dbraw/zinc/30/14/40/792301440.db2.gz LSNPVBHCZSGOLA-JSGCOSHPSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nc(C)n1 ZINC001100029287 792301430 /nfs/dbraw/zinc/30/14/30/792301430.db2.gz LSNPVBHCZSGOLA-JSGCOSHPSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nc(C)n1 ZINC001100029288 792301010 /nfs/dbraw/zinc/30/10/10/792301010.db2.gz LSNPVBHCZSGOLA-OCCSQVGLSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nc(C)n1 ZINC001100029288 792301000 /nfs/dbraw/zinc/30/10/00/792301000.db2.gz LSNPVBHCZSGOLA-OCCSQVGLSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nc(C)n1 ZINC001100029289 792301573 /nfs/dbraw/zinc/30/15/73/792301573.db2.gz LSNPVBHCZSGOLA-TZMCWYRMSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nc(C)n1 ZINC001100029289 792301562 /nfs/dbraw/zinc/30/15/62/792301562.db2.gz LSNPVBHCZSGOLA-TZMCWYRMSA-N 1 2 346.391 -1.102 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031296 792305151 /nfs/dbraw/zinc/30/51/51/792305151.db2.gz CNSFQXULHQPJTD-CHWSQXEVSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031296 792305137 /nfs/dbraw/zinc/30/51/37/792305137.db2.gz CNSFQXULHQPJTD-CHWSQXEVSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031297 792303880 /nfs/dbraw/zinc/30/38/80/792303880.db2.gz CNSFQXULHQPJTD-OLZOCXBDSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031297 792303873 /nfs/dbraw/zinc/30/38/73/792303873.db2.gz CNSFQXULHQPJTD-OLZOCXBDSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031298 792304238 /nfs/dbraw/zinc/30/42/38/792304238.db2.gz CNSFQXULHQPJTD-QWHCGFSZSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100031298 792304227 /nfs/dbraw/zinc/30/42/27/792304227.db2.gz CNSFQXULHQPJTD-QWHCGFSZSA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031299 792303723 /nfs/dbraw/zinc/30/37/23/792303723.db2.gz CNSFQXULHQPJTD-STQMWFEESA-N 1 2 334.380 -1.467 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031299 792303715 /nfs/dbraw/zinc/30/37/15/792303715.db2.gz CNSFQXULHQPJTD-STQMWFEESA-N 1 2 334.380 -1.467 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034558 792311200 /nfs/dbraw/zinc/31/12/00/792311200.db2.gz SOTSMXVGJWZONU-NEPJUHHUSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034558 792311192 /nfs/dbraw/zinc/31/11/92/792311192.db2.gz SOTSMXVGJWZONU-NEPJUHHUSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034559 792310513 /nfs/dbraw/zinc/31/05/13/792310513.db2.gz SOTSMXVGJWZONU-NWDGAFQWSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034559 792310501 /nfs/dbraw/zinc/31/05/01/792310501.db2.gz SOTSMXVGJWZONU-NWDGAFQWSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034560 792311006 /nfs/dbraw/zinc/31/10/06/792311006.db2.gz SOTSMXVGJWZONU-RYUDHWBXSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034560 792310992 /nfs/dbraw/zinc/31/09/92/792310992.db2.gz SOTSMXVGJWZONU-RYUDHWBXSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034561 792309597 /nfs/dbraw/zinc/30/95/97/792309597.db2.gz SOTSMXVGJWZONU-VXGBXAGGSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034561 792309586 /nfs/dbraw/zinc/30/95/86/792309586.db2.gz SOTSMXVGJWZONU-VXGBXAGGSA-N 1 2 338.408 -1.634 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001100034666 792310104 /nfs/dbraw/zinc/31/01/04/792310104.db2.gz SRYILEUBQGDHQT-GHMZBOCLSA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001100034666 792310097 /nfs/dbraw/zinc/31/00/97/792310097.db2.gz SRYILEUBQGDHQT-GHMZBOCLSA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001100034667 792309070 /nfs/dbraw/zinc/30/90/70/792309070.db2.gz SRYILEUBQGDHQT-MNOVXSKESA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001100034667 792309057 /nfs/dbraw/zinc/30/90/57/792309057.db2.gz SRYILEUBQGDHQT-MNOVXSKESA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001100034668 792310189 /nfs/dbraw/zinc/31/01/89/792310189.db2.gz SRYILEUBQGDHQT-QWRGUYRKSA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)CC1 ZINC001100034668 792310181 /nfs/dbraw/zinc/31/01/81/792310181.db2.gz SRYILEUBQGDHQT-QWRGUYRKSA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001100034669 792309148 /nfs/dbraw/zinc/30/91/48/792309148.db2.gz SRYILEUBQGDHQT-WDEREUQCSA-N 1 2 337.380 -2.296 20 30 EAEDLO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)CC1 ZINC001100034669 792309138 /nfs/dbraw/zinc/30/91/38/792309138.db2.gz SRYILEUBQGDHQT-WDEREUQCSA-N 1 2 337.380 -2.296 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034946 786450076 /nfs/dbraw/zinc/45/00/76/786450076.db2.gz WUJSVZOWUSKYGC-NEPJUHHUSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034946 786450074 /nfs/dbraw/zinc/45/00/74/786450074.db2.gz WUJSVZOWUSKYGC-NEPJUHHUSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034947 786450336 /nfs/dbraw/zinc/45/03/36/786450336.db2.gz WUJSVZOWUSKYGC-NWDGAFQWSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034947 786450332 /nfs/dbraw/zinc/45/03/32/786450332.db2.gz WUJSVZOWUSKYGC-NWDGAFQWSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034948 792309846 /nfs/dbraw/zinc/30/98/46/792309846.db2.gz WUJSVZOWUSKYGC-RYUDHWBXSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034948 792309836 /nfs/dbraw/zinc/30/98/36/792309836.db2.gz WUJSVZOWUSKYGC-RYUDHWBXSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034949 792309658 /nfs/dbraw/zinc/30/96/58/792309658.db2.gz WUJSVZOWUSKYGC-VXGBXAGGSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 ZINC001100034949 792309645 /nfs/dbraw/zinc/30/96/45/792309645.db2.gz WUJSVZOWUSKYGC-VXGBXAGGSA-N 1 2 336.392 -2.187 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COc2cccnc2)[C@@H](O)C1 ZINC001100036264 792310811 /nfs/dbraw/zinc/31/08/11/792310811.db2.gz CXPVXARSZGLOQH-KBPBESRZSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COc2cccnc2)[C@@H](O)C1 ZINC001100036264 792310797 /nfs/dbraw/zinc/31/07/97/792310797.db2.gz CXPVXARSZGLOQH-KBPBESRZSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COc2cccnc2)[C@@H](O)C1 ZINC001100036265 792309813 /nfs/dbraw/zinc/30/98/13/792309813.db2.gz CXPVXARSZGLOQH-KGLIPLIRSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2cccnc2)[C@@H](O)C1 ZINC001100036265 792309802 /nfs/dbraw/zinc/30/98/02/792309802.db2.gz CXPVXARSZGLOQH-KGLIPLIRSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COc2cccnc2)[C@H](O)C1 ZINC001100036266 792311154 /nfs/dbraw/zinc/31/11/54/792311154.db2.gz CXPVXARSZGLOQH-UONOGXRCSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COc2cccnc2)[C@H](O)C1 ZINC001100036266 792311138 /nfs/dbraw/zinc/31/11/38/792311138.db2.gz CXPVXARSZGLOQH-UONOGXRCSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COc2cccnc2)[C@H](O)C1 ZINC001100036267 792309974 /nfs/dbraw/zinc/30/99/74/792309974.db2.gz CXPVXARSZGLOQH-ZIAGYGMSSA-N 1 2 347.375 -1.348 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2cccnc2)[C@H](O)C1 ZINC001100036267 792309960 /nfs/dbraw/zinc/30/99/60/792309960.db2.gz CXPVXARSZGLOQH-ZIAGYGMSSA-N 1 2 347.375 -1.348 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)n1 ZINC001100036276 792310356 /nfs/dbraw/zinc/31/03/56/792310356.db2.gz DDKUZKZTHBUDIB-KBPBESRZSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)n1 ZINC001100036276 792310344 /nfs/dbraw/zinc/31/03/44/792310344.db2.gz DDKUZKZTHBUDIB-KBPBESRZSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)n1 ZINC001100036277 792313465 /nfs/dbraw/zinc/31/34/65/792313465.db2.gz DDKUZKZTHBUDIB-KGLIPLIRSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c(C)n1 ZINC001100036277 792313460 /nfs/dbraw/zinc/31/34/60/792313460.db2.gz DDKUZKZTHBUDIB-KGLIPLIRSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c(C)n1 ZINC001100036278 792312726 /nfs/dbraw/zinc/31/27/26/792312726.db2.gz DDKUZKZTHBUDIB-UONOGXRCSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c(C)n1 ZINC001100036278 792312709 /nfs/dbraw/zinc/31/27/09/792312709.db2.gz DDKUZKZTHBUDIB-UONOGXRCSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c(C)n1 ZINC001100036279 792312532 /nfs/dbraw/zinc/31/25/32/792312532.db2.gz DDKUZKZTHBUDIB-ZIAGYGMSSA-N 1 2 346.391 -1.102 20 30 EAEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c(C)n1 ZINC001100036279 792312521 /nfs/dbraw/zinc/31/25/21/792312521.db2.gz DDKUZKZTHBUDIB-ZIAGYGMSSA-N 1 2 346.391 -1.102 20 30 EAEDLO 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KXLSRCLACSCBBG-CHWSQXEVSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100041554 792318960 /nfs/dbraw/zinc/31/89/60/792318960.db2.gz KXLSRCLACSCBBG-OLZOCXBDSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100041554 792318948 /nfs/dbraw/zinc/31/89/48/792318948.db2.gz KXLSRCLACSCBBG-OLZOCXBDSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@H](O)C1 ZINC001100041555 792321416 /nfs/dbraw/zinc/32/14/16/792321416.db2.gz KXLSRCLACSCBBG-QWHCGFSZSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@H](O)C1 ZINC001100041555 792321408 /nfs/dbraw/zinc/32/14/08/792321408.db2.gz KXLSRCLACSCBBG-QWHCGFSZSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100041556 792319349 /nfs/dbraw/zinc/31/93/49/792319349.db2.gz KXLSRCLACSCBBG-STQMWFEESA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100041556 792319337 /nfs/dbraw/zinc/31/93/37/792319337.db2.gz KXLSRCLACSCBBG-STQMWFEESA-N 1 2 346.391 -1.400 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100043058 792322675 /nfs/dbraw/zinc/32/26/75/792322675.db2.gz AGGJSKUJIRDLKJ-KBPBESRZSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100043058 792322664 /nfs/dbraw/zinc/32/26/64/792322664.db2.gz AGGJSKUJIRDLKJ-KBPBESRZSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100043059 792322273 /nfs/dbraw/zinc/32/22/73/792322273.db2.gz AGGJSKUJIRDLKJ-KGLIPLIRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001100043059 792322261 /nfs/dbraw/zinc/32/22/61/792322261.db2.gz AGGJSKUJIRDLKJ-KGLIPLIRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@H](O)C1 ZINC001100043060 792323561 /nfs/dbraw/zinc/32/35/61/792323561.db2.gz AGGJSKUJIRDLKJ-UONOGXRCSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncccn2)[C@H](O)C1 ZINC001100043060 792323551 /nfs/dbraw/zinc/32/35/51/792323551.db2.gz AGGJSKUJIRDLKJ-UONOGXRCSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncccn2)[C@H](O)C1 ZINC001100043061 792324005 /nfs/dbraw/zinc/32/40/05/792324005.db2.gz AGGJSKUJIRDLKJ-ZIAGYGMSSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncccn2)[C@H](O)C1 ZINC001100043061 792323991 /nfs/dbraw/zinc/32/39/91/792323991.db2.gz AGGJSKUJIRDLKJ-ZIAGYGMSSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045379 792322548 /nfs/dbraw/zinc/32/25/48/792322548.db2.gz BCSJFSWXOAFVHA-NEPJUHHUSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045379 792322535 /nfs/dbraw/zinc/32/25/35/792322535.db2.gz BCSJFSWXOAFVHA-NEPJUHHUSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045383 792322001 /nfs/dbraw/zinc/32/20/01/792322001.db2.gz BCSJFSWXOAFVHA-NWDGAFQWSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045383 792321998 /nfs/dbraw/zinc/32/19/98/792321998.db2.gz BCSJFSWXOAFVHA-NWDGAFQWSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045386 792323311 /nfs/dbraw/zinc/32/33/11/792323311.db2.gz BCSJFSWXOAFVHA-RYUDHWBXSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045386 792323298 /nfs/dbraw/zinc/32/32/98/792323298.db2.gz BCSJFSWXOAFVHA-RYUDHWBXSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045388 792322387 /nfs/dbraw/zinc/32/23/87/792322387.db2.gz BCSJFSWXOAFVHA-VXGBXAGGSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045388 792322379 /nfs/dbraw/zinc/32/23/79/792322379.db2.gz BCSJFSWXOAFVHA-VXGBXAGGSA-N 1 2 335.368 -2.636 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)nn2C)[C@H](O)C1 ZINC001100045569 792323617 /nfs/dbraw/zinc/32/36/17/792323617.db2.gz CAVOWGYJIAMJJM-DZGCQCFKSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)nn2C)[C@H](O)C1 ZINC001100045569 792323609 /nfs/dbraw/zinc/32/36/09/792323609.db2.gz CAVOWGYJIAMJJM-DZGCQCFKSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](O)C1 ZINC001100045571 792323939 /nfs/dbraw/zinc/32/39/39/792323939.db2.gz CAVOWGYJIAMJJM-HIFRSBDPSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](O)C1 ZINC001100045571 792323924 /nfs/dbraw/zinc/32/39/24/792323924.db2.gz CAVOWGYJIAMJJM-HIFRSBDPSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)nn2C)[C@H](O)C1 ZINC001100045573 792324464 /nfs/dbraw/zinc/32/44/64/792324464.db2.gz CAVOWGYJIAMJJM-UKRRQHHQSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)nn2C)[C@H](O)C1 ZINC001100045573 792324457 /nfs/dbraw/zinc/32/44/57/792324457.db2.gz CAVOWGYJIAMJJM-UKRRQHHQSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)nn2C)[C@@H](O)C1 ZINC001100045575 792324206 /nfs/dbraw/zinc/32/42/06/792324206.db2.gz CAVOWGYJIAMJJM-ZFWWWQNUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)nn2C)[C@@H](O)C1 ZINC001100045575 792324193 /nfs/dbraw/zinc/32/41/93/792324193.db2.gz CAVOWGYJIAMJJM-ZFWWWQNUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046149 792323138 /nfs/dbraw/zinc/32/31/38/792323138.db2.gz HEXLLOVVPGYUMD-AAEUAGOBSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046149 792323129 /nfs/dbraw/zinc/32/31/29/792323129.db2.gz HEXLLOVVPGYUMD-AAEUAGOBSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046150 792323206 /nfs/dbraw/zinc/32/32/06/792323206.db2.gz HEXLLOVVPGYUMD-DGCLKSJQSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046150 792323198 /nfs/dbraw/zinc/32/31/98/792323198.db2.gz HEXLLOVVPGYUMD-DGCLKSJQSA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046151 792322065 /nfs/dbraw/zinc/32/20/65/792322065.db2.gz HEXLLOVVPGYUMD-WCQYABFASA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046151 792322052 /nfs/dbraw/zinc/32/20/52/792322052.db2.gz HEXLLOVVPGYUMD-WCQYABFASA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046152 792324595 /nfs/dbraw/zinc/32/45/95/792324595.db2.gz HEXLLOVVPGYUMD-YPMHNXCESA-N 1 2 349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046152 792324585 /nfs/dbraw/zinc/32/45/85/792324585.db2.gz HEXLLOVVPGYUMD-YPMHNXCESA-N 1 2 349.391 -1.419 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046173 792322763 /nfs/dbraw/zinc/32/27/63/792322763.db2.gz HPGKOUXZIIGOMN-CMPLNLGQSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046173 792322751 /nfs/dbraw/zinc/32/27/51/792322751.db2.gz HPGKOUXZIIGOMN-CMPLNLGQSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046174 792324245 /nfs/dbraw/zinc/32/42/45/792324245.db2.gz HPGKOUXZIIGOMN-JQWIXIFHSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046174 792324231 /nfs/dbraw/zinc/32/42/31/792324231.db2.gz HPGKOUXZIIGOMN-JQWIXIFHSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046175 792321930 /nfs/dbraw/zinc/32/19/30/792321930.db2.gz HPGKOUXZIIGOMN-PWSUYJOCSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100046175 792321920 /nfs/dbraw/zinc/32/19/20/792321920.db2.gz HPGKOUXZIIGOMN-PWSUYJOCSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046176 792323444 /nfs/dbraw/zinc/32/34/44/792323444.db2.gz HPGKOUXZIIGOMN-ZYHUDNBSSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100046176 792323434 /nfs/dbraw/zinc/32/34/34/792323434.db2.gz HPGKOUXZIIGOMN-ZYHUDNBSSA-N 1 2 348.363 -2.082 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046425 792326521 /nfs/dbraw/zinc/32/65/21/792326521.db2.gz LSCLIDVRWKFCNM-NEPJUHHUSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046425 792326510 /nfs/dbraw/zinc/32/65/10/792326510.db2.gz LSCLIDVRWKFCNM-NEPJUHHUSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046426 792326653 /nfs/dbraw/zinc/32/66/53/792326653.db2.gz LSCLIDVRWKFCNM-NWDGAFQWSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046426 792326639 /nfs/dbraw/zinc/32/66/39/792326639.db2.gz LSCLIDVRWKFCNM-NWDGAFQWSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046427 792327023 /nfs/dbraw/zinc/32/70/23/792327023.db2.gz LSCLIDVRWKFCNM-RYUDHWBXSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046427 792327012 /nfs/dbraw/zinc/32/70/12/792327012.db2.gz LSCLIDVRWKFCNM-RYUDHWBXSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046428 792325535 /nfs/dbraw/zinc/32/55/35/792325535.db2.gz LSCLIDVRWKFCNM-VXGBXAGGSA-N 1 2 337.384 -2.083 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046428 792325525 /nfs/dbraw/zinc/32/55/25/792325525.db2.gz LSCLIDVRWKFCNM-VXGBXAGGSA-N 1 2 337.384 -2.083 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046633 792325230 /nfs/dbraw/zinc/32/52/30/792325230.db2.gz PPVCINYZOZSTAK-GHMZBOCLSA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046633 792325220 /nfs/dbraw/zinc/32/52/20/792325220.db2.gz PPVCINYZOZSTAK-GHMZBOCLSA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046634 792326153 /nfs/dbraw/zinc/32/61/53/792326153.db2.gz PPVCINYZOZSTAK-MNOVXSKESA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046634 792326141 /nfs/dbraw/zinc/32/61/41/792326141.db2.gz PPVCINYZOZSTAK-MNOVXSKESA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046635 792325150 /nfs/dbraw/zinc/32/51/50/792325150.db2.gz PPVCINYZOZSTAK-QWRGUYRKSA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046635 792325134 /nfs/dbraw/zinc/32/51/34/792325134.db2.gz PPVCINYZOZSTAK-QWRGUYRKSA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046636 792324891 /nfs/dbraw/zinc/32/48/91/792324891.db2.gz PPVCINYZOZSTAK-WDEREUQCSA-N 1 2 336.356 -2.746 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046636 792324875 /nfs/dbraw/zinc/32/48/75/792324875.db2.gz PPVCINYZOZSTAK-WDEREUQCSA-N 1 2 336.356 -2.746 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001100047244 792329894 /nfs/dbraw/zinc/32/98/94/792329894.db2.gz ZXJXMCROAHZGAR-GXTWGEPZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001100047244 792329884 /nfs/dbraw/zinc/32/98/84/792329884.db2.gz ZXJXMCROAHZGAR-GXTWGEPZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001100047245 792328074 /nfs/dbraw/zinc/32/80/74/792328074.db2.gz ZXJXMCROAHZGAR-JSGCOSHPSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001100047245 792328064 /nfs/dbraw/zinc/32/80/64/792328064.db2.gz ZXJXMCROAHZGAR-JSGCOSHPSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001100047246 792328783 /nfs/dbraw/zinc/32/87/83/792328783.db2.gz ZXJXMCROAHZGAR-OCCSQVGLSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n(C)n1 ZINC001100047246 792328774 /nfs/dbraw/zinc/32/87/74/792328774.db2.gz ZXJXMCROAHZGAR-OCCSQVGLSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001100047247 792327484 /nfs/dbraw/zinc/32/74/84/792327484.db2.gz ZXJXMCROAHZGAR-TZMCWYRMSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n(C)n1 ZINC001100047247 792327474 /nfs/dbraw/zinc/32/74/74/792327474.db2.gz ZXJXMCROAHZGAR-TZMCWYRMSA-N 1 2 348.407 -1.213 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@H](O)C1 ZINC001100048740 792328041 /nfs/dbraw/zinc/32/80/41/792328041.db2.gz QGBQUWRNNYLXQL-GXTWGEPZSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@H](O)C1 ZINC001100048740 792328027 /nfs/dbraw/zinc/32/80/27/792328027.db2.gz QGBQUWRNNYLXQL-GXTWGEPZSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](O)C1 ZINC001100048741 792329191 /nfs/dbraw/zinc/32/91/91/792329191.db2.gz QGBQUWRNNYLXQL-JSGCOSHPSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](O)C1 ZINC001100048741 792329174 /nfs/dbraw/zinc/32/91/74/792329174.db2.gz QGBQUWRNNYLXQL-JSGCOSHPSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](O)C1 ZINC001100048742 792329002 /nfs/dbraw/zinc/32/90/02/792329002.db2.gz QGBQUWRNNYLXQL-OCCSQVGLSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](O)C1 ZINC001100048742 792328989 /nfs/dbraw/zinc/32/89/89/792328989.db2.gz QGBQUWRNNYLXQL-OCCSQVGLSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@H](O)C1 ZINC001100048743 792329430 /nfs/dbraw/zinc/32/94/30/792329430.db2.gz QGBQUWRNNYLXQL-TZMCWYRMSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@H](O)C1 ZINC001100048743 792329418 /nfs/dbraw/zinc/32/94/18/792329418.db2.gz QGBQUWRNNYLXQL-TZMCWYRMSA-N 1 2 348.407 -1.227 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 ZINC001100048944 786456886 /nfs/dbraw/zinc/45/68/86/786456886.db2.gz UTOUMJOMIVVEHP-GXTWGEPZSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 ZINC001100048944 786456877 /nfs/dbraw/zinc/45/68/77/786456877.db2.gz UTOUMJOMIVVEHP-GXTWGEPZSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 ZINC001100048945 792329470 /nfs/dbraw/zinc/32/94/70/792329470.db2.gz UTOUMJOMIVVEHP-JSGCOSHPSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 ZINC001100048945 792329455 /nfs/dbraw/zinc/32/94/55/792329455.db2.gz UTOUMJOMIVVEHP-JSGCOSHPSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 ZINC001100048946 792328458 /nfs/dbraw/zinc/32/84/58/792328458.db2.gz UTOUMJOMIVVEHP-OCCSQVGLSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 ZINC001100048946 792328444 /nfs/dbraw/zinc/32/84/44/792328444.db2.gz UTOUMJOMIVVEHP-OCCSQVGLSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 ZINC001100048947 792328421 /nfs/dbraw/zinc/32/84/21/792328421.db2.gz UTOUMJOMIVVEHP-TZMCWYRMSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 ZINC001100048947 792328407 /nfs/dbraw/zinc/32/84/07/792328407.db2.gz UTOUMJOMIVVEHP-TZMCWYRMSA-N 1 2 348.407 -1.398 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100051413 792330437 /nfs/dbraw/zinc/33/04/37/792330437.db2.gz XFERLPYQAXZGMS-AAEUAGOBSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100051413 792330427 /nfs/dbraw/zinc/33/04/27/792330427.db2.gz XFERLPYQAXZGMS-AAEUAGOBSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100051414 792333261 /nfs/dbraw/zinc/33/32/61/792333261.db2.gz XFERLPYQAXZGMS-DGCLKSJQSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100051414 792333252 /nfs/dbraw/zinc/33/32/52/792333252.db2.gz XFERLPYQAXZGMS-DGCLKSJQSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100051415 792332816 /nfs/dbraw/zinc/33/28/16/792332816.db2.gz XFERLPYQAXZGMS-WCQYABFASA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001100051415 792332799 /nfs/dbraw/zinc/33/27/99/792332799.db2.gz XFERLPYQAXZGMS-WCQYABFASA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100051416 792331424 /nfs/dbraw/zinc/33/14/24/792331424.db2.gz XFERLPYQAXZGMS-YPMHNXCESA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001100051416 792331413 /nfs/dbraw/zinc/33/14/13/792331413.db2.gz XFERLPYQAXZGMS-YPMHNXCESA-N 1 2 347.375 -1.972 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100052912 792331464 /nfs/dbraw/zinc/33/14/64/792331464.db2.gz HDPBHXDXZFPDJN-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100052912 792331449 /nfs/dbraw/zinc/33/14/49/792331449.db2.gz HDPBHXDXZFPDJN-AAEUAGOBSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100052913 792333465 /nfs/dbraw/zinc/33/34/65/792333465.db2.gz HDPBHXDXZFPDJN-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100052913 792333453 /nfs/dbraw/zinc/33/34/53/792333453.db2.gz HDPBHXDXZFPDJN-DGCLKSJQSA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100052914 792330630 /nfs/dbraw/zinc/33/06/30/792330630.db2.gz HDPBHXDXZFPDJN-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100052914 792330618 /nfs/dbraw/zinc/33/06/18/792330618.db2.gz HDPBHXDXZFPDJN-WCQYABFASA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100052915 792331767 /nfs/dbraw/zinc/33/17/67/792331767.db2.gz HDPBHXDXZFPDJN-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100052915 792331754 /nfs/dbraw/zinc/33/17/54/792331754.db2.gz HDPBHXDXZFPDJN-YPMHNXCESA-N 1 2 336.396 -1.235 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100054480 792331591 /nfs/dbraw/zinc/33/15/91/792331591.db2.gz VXLGQVMQOXELQN-AAEUAGOBSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100054480 792331579 /nfs/dbraw/zinc/33/15/79/792331579.db2.gz VXLGQVMQOXELQN-AAEUAGOBSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100054481 792331517 /nfs/dbraw/zinc/33/15/17/792331517.db2.gz VXLGQVMQOXELQN-DGCLKSJQSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100054481 792331505 /nfs/dbraw/zinc/33/15/05/792331505.db2.gz VXLGQVMQOXELQN-DGCLKSJQSA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100054482 792330818 /nfs/dbraw/zinc/33/08/18/792330818.db2.gz VXLGQVMQOXELQN-WCQYABFASA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC001100054482 792330810 /nfs/dbraw/zinc/33/08/10/792330810.db2.gz VXLGQVMQOXELQN-WCQYABFASA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100054483 792332772 /nfs/dbraw/zinc/33/27/72/792332772.db2.gz VXLGQVMQOXELQN-YPMHNXCESA-N 1 2 334.380 -1.788 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001100054483 792332761 /nfs/dbraw/zinc/33/27/61/792332761.db2.gz VXLGQVMQOXELQN-YPMHNXCESA-N 1 2 334.380 -1.788 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055564 792335486 /nfs/dbraw/zinc/33/54/86/792335486.db2.gz FPRKPHZJBSNRHS-CHWSQXEVSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055564 792335476 /nfs/dbraw/zinc/33/54/76/792335476.db2.gz FPRKPHZJBSNRHS-CHWSQXEVSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055565 792334892 /nfs/dbraw/zinc/33/48/92/792334892.db2.gz FPRKPHZJBSNRHS-OLZOCXBDSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055565 792334880 /nfs/dbraw/zinc/33/48/80/792334880.db2.gz FPRKPHZJBSNRHS-OLZOCXBDSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055566 792333568 /nfs/dbraw/zinc/33/35/68/792333568.db2.gz FPRKPHZJBSNRHS-QWHCGFSZSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055566 792333559 /nfs/dbraw/zinc/33/35/59/792333559.db2.gz FPRKPHZJBSNRHS-QWHCGFSZSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055567 792333945 /nfs/dbraw/zinc/33/39/45/792333945.db2.gz FPRKPHZJBSNRHS-STQMWFEESA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055567 792333935 /nfs/dbraw/zinc/33/39/35/792333935.db2.gz FPRKPHZJBSNRHS-STQMWFEESA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055760 792335780 /nfs/dbraw/zinc/33/57/80/792335780.db2.gz IEYARXNRVBVBSA-AAEUAGOBSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055760 792335770 /nfs/dbraw/zinc/33/57/70/792335770.db2.gz IEYARXNRVBVBSA-AAEUAGOBSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055761 792334608 /nfs/dbraw/zinc/33/46/08/792334608.db2.gz IEYARXNRVBVBSA-DGCLKSJQSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055761 792334592 /nfs/dbraw/zinc/33/45/92/792334592.db2.gz IEYARXNRVBVBSA-DGCLKSJQSA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055762 792334020 /nfs/dbraw/zinc/33/40/20/792334020.db2.gz IEYARXNRVBVBSA-WCQYABFASA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055762 792334008 /nfs/dbraw/zinc/33/40/08/792334008.db2.gz IEYARXNRVBVBSA-WCQYABFASA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055763 792335055 /nfs/dbraw/zinc/33/50/55/792335055.db2.gz IEYARXNRVBVBSA-YPMHNXCESA-N 1 2 337.380 -1.226 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055763 792335045 /nfs/dbraw/zinc/33/50/45/792335045.db2.gz IEYARXNRVBVBSA-YPMHNXCESA-N 1 2 337.380 -1.226 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055784 792335838 /nfs/dbraw/zinc/33/58/38/792335838.db2.gz IVOOXEIEHRZRRK-AAEUAGOBSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055784 792335830 /nfs/dbraw/zinc/33/58/30/792335830.db2.gz IVOOXEIEHRZRRK-AAEUAGOBSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055785 792333872 /nfs/dbraw/zinc/33/38/72/792333872.db2.gz IVOOXEIEHRZRRK-DGCLKSJQSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055785 792333863 /nfs/dbraw/zinc/33/38/63/792333863.db2.gz IVOOXEIEHRZRRK-DGCLKSJQSA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055786 792333910 /nfs/dbraw/zinc/33/39/10/792333910.db2.gz IVOOXEIEHRZRRK-WCQYABFASA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@H](O)C1 ZINC001100055786 792333898 /nfs/dbraw/zinc/33/38/98/792333898.db2.gz IVOOXEIEHRZRRK-WCQYABFASA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055787 792334736 /nfs/dbraw/zinc/33/47/36/792334736.db2.gz IVOOXEIEHRZRRK-YPMHNXCESA-N 1 2 335.364 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001100055787 792334723 /nfs/dbraw/zinc/33/47/23/792334723.db2.gz IVOOXEIEHRZRRK-YPMHNXCESA-N 1 2 335.364 -1.779 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055804 792334354 /nfs/dbraw/zinc/33/43/54/792334354.db2.gz JHARIYMAVYYOGO-NEPJUHHUSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055804 792334345 /nfs/dbraw/zinc/33/43/45/792334345.db2.gz JHARIYMAVYYOGO-NEPJUHHUSA-N 1 2 337.380 -2.296 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055805 792334423 /nfs/dbraw/zinc/33/44/23/792334423.db2.gz JHARIYMAVYYOGO-NWDGAFQWSA-N 1 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C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055892 792334095 /nfs/dbraw/zinc/33/40/95/792334095.db2.gz KRVUMFRSXHRHAN-CHWSQXEVSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055892 792334086 /nfs/dbraw/zinc/33/40/86/792334086.db2.gz KRVUMFRSXHRHAN-CHWSQXEVSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055893 792334819 /nfs/dbraw/zinc/33/48/19/792334819.db2.gz KRVUMFRSXHRHAN-OLZOCXBDSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055893 792334807 /nfs/dbraw/zinc/33/48/07/792334807.db2.gz KRVUMFRSXHRHAN-OLZOCXBDSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055894 792336529 /nfs/dbraw/zinc/33/65/29/792336529.db2.gz KRVUMFRSXHRHAN-QWHCGFSZSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100055894 792336519 /nfs/dbraw/zinc/33/65/19/792336519.db2.gz KRVUMFRSXHRHAN-QWHCGFSZSA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055895 792334135 /nfs/dbraw/zinc/33/41/35/792334135.db2.gz KRVUMFRSXHRHAN-STQMWFEESA-N 1 2 336.392 -2.187 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055895 792334124 /nfs/dbraw/zinc/33/41/24/792334124.db2.gz KRVUMFRSXHRHAN-STQMWFEESA-N 1 2 336.392 -2.187 20 30 EAEDLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100056696 792337438 /nfs/dbraw/zinc/33/74/38/792337438.db2.gz YFYDJPPFYSJIHL-CMPLNLGQSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100056696 792337428 /nfs/dbraw/zinc/33/74/28/792337428.db2.gz YFYDJPPFYSJIHL-CMPLNLGQSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100056697 792337808 /nfs/dbraw/zinc/33/78/08/792337808.db2.gz YFYDJPPFYSJIHL-JQWIXIFHSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100056697 792337798 /nfs/dbraw/zinc/33/77/98/792337798.db2.gz YFYDJPPFYSJIHL-JQWIXIFHSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100056698 792336976 /nfs/dbraw/zinc/33/69/76/792336976.db2.gz YFYDJPPFYSJIHL-PWSUYJOCSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100056698 792336966 /nfs/dbraw/zinc/33/69/66/792336966.db2.gz YFYDJPPFYSJIHL-PWSUYJOCSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100056699 792337052 /nfs/dbraw/zinc/33/70/52/792337052.db2.gz YFYDJPPFYSJIHL-ZYHUDNBSSA-N 1 2 336.352 -1.888 20 30 EAEDLO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100056699 792337038 /nfs/dbraw/zinc/33/70/38/792337038.db2.gz YFYDJPPFYSJIHL-ZYHUDNBSSA-N 1 2 336.352 -1.888 20 30 EAEDLO COc1cccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100058430 792340498 /nfs/dbraw/zinc/34/04/98/792340498.db2.gz SQIPBHYGMHATLX-AAEUAGOBSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100058430 792340486 /nfs/dbraw/zinc/34/04/86/792340486.db2.gz SQIPBHYGMHATLX-AAEUAGOBSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100058431 792342074 /nfs/dbraw/zinc/34/20/74/792342074.db2.gz SQIPBHYGMHATLX-DGCLKSJQSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100058431 792342063 /nfs/dbraw/zinc/34/20/63/792342063.db2.gz SQIPBHYGMHATLX-DGCLKSJQSA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100058432 792340341 /nfs/dbraw/zinc/34/03/41/792340341.db2.gz SQIPBHYGMHATLX-WCQYABFASA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100058432 792340333 /nfs/dbraw/zinc/34/03/33/792340333.db2.gz SQIPBHYGMHATLX-WCQYABFASA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100058433 792340730 /nfs/dbraw/zinc/34/07/30/792340730.db2.gz SQIPBHYGMHATLX-YPMHNXCESA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1cccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100058433 792340719 /nfs/dbraw/zinc/34/07/19/792340719.db2.gz SQIPBHYGMHATLX-YPMHNXCESA-N 1 2 347.375 -1.105 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100060265 792339830 /nfs/dbraw/zinc/33/98/30/792339830.db2.gz PHXBYTGXTBLDMH-CMPLNLGQSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100060265 792339822 /nfs/dbraw/zinc/33/98/22/792339822.db2.gz PHXBYTGXTBLDMH-CMPLNLGQSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100060266 792340944 /nfs/dbraw/zinc/34/09/44/792340944.db2.gz PHXBYTGXTBLDMH-JQWIXIFHSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100060266 792340932 /nfs/dbraw/zinc/34/09/32/792340932.db2.gz PHXBYTGXTBLDMH-JQWIXIFHSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100060267 792342546 /nfs/dbraw/zinc/34/25/46/792342546.db2.gz PHXBYTGXTBLDMH-PWSUYJOCSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100060267 792342540 /nfs/dbraw/zinc/34/25/40/792342540.db2.gz PHXBYTGXTBLDMH-PWSUYJOCSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100060268 792341016 /nfs/dbraw/zinc/34/10/16/792341016.db2.gz PHXBYTGXTBLDMH-ZYHUDNBSSA-N 1 2 348.363 -1.710 20 30 EAEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100060268 792341005 /nfs/dbraw/zinc/34/10/05/792341005.db2.gz PHXBYTGXTBLDMH-ZYHUDNBSSA-N 1 2 348.363 -1.710 20 30 EAEDLO 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ZINC001100060391 792339980 /nfs/dbraw/zinc/33/99/80/792339980.db2.gz RCSVQSPECWBWDB-WCQYABFASA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 ZINC001100060392 792339763 /nfs/dbraw/zinc/33/97/63/792339763.db2.gz RCSVQSPECWBWDB-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 ZINC001100060392 792339751 /nfs/dbraw/zinc/33/97/51/792339751.db2.gz RCSVQSPECWBWDB-YPMHNXCESA-N 1 2 349.391 -1.048 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 ZINC001100060645 792340419 /nfs/dbraw/zinc/34/04/19/792340419.db2.gz WIWCZONWNAALQA-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 ZINC001100060645 792340411 /nfs/dbraw/zinc/34/04/11/792340411.db2.gz WIWCZONWNAALQA-AAEUAGOBSA-N 1 2 347.375 -1.600 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@H](O)C1 ZINC001100060646 792341257 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N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066160 792347509 /nfs/dbraw/zinc/34/75/09/792347509.db2.gz DCNHVYIBNWGCIW-UONOGXRCSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066161 792347901 /nfs/dbraw/zinc/34/79/01/792347901.db2.gz DCNHVYIBNWGCIW-ZIAGYGMSSA-N 1 2 346.391 -1.400 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066161 792347890 /nfs/dbraw/zinc/34/78/90/792347890.db2.gz DCNHVYIBNWGCIW-ZIAGYGMSSA-N 1 2 346.391 -1.400 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001100066895 792346777 /nfs/dbraw/zinc/34/67/77/792346777.db2.gz MBPCZYLYPFVVTB-CABCVRRESA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001100066895 792346765 /nfs/dbraw/zinc/34/67/65/792346765.db2.gz MBPCZYLYPFVVTB-CABCVRRESA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001100066899 792347242 /nfs/dbraw/zinc/34/72/42/792347242.db2.gz MBPCZYLYPFVVTB-GJZGRUSLSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001100066899 792347229 /nfs/dbraw/zinc/34/72/29/792347229.db2.gz MBPCZYLYPFVVTB-GJZGRUSLSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066902 792348860 /nfs/dbraw/zinc/34/88/60/792348860.db2.gz MBPCZYLYPFVVTB-HUUCEWRRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066902 792348853 /nfs/dbraw/zinc/34/88/53/792348853.db2.gz MBPCZYLYPFVVTB-HUUCEWRRSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066904 792346391 /nfs/dbraw/zinc/34/63/91/792346391.db2.gz MBPCZYLYPFVVTB-LSDHHAIUSA-N 1 2 345.403 -1.290 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnccn2)[C@H](O)C1 ZINC001100066904 792346374 /nfs/dbraw/zinc/34/63/74/792346374.db2.gz MBPCZYLYPFVVTB-LSDHHAIUSA-N 1 2 345.403 -1.290 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100066918 792346196 /nfs/dbraw/zinc/34/61/96/792346196.db2.gz MEYGNFBATXEUOO-NEPJUHHUSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100066918 792346187 /nfs/dbraw/zinc/34/61/87/792346187.db2.gz MEYGNFBATXEUOO-NEPJUHHUSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100066925 792347644 /nfs/dbraw/zinc/34/76/44/792347644.db2.gz MEYGNFBATXEUOO-NWDGAFQWSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100066925 792347634 /nfs/dbraw/zinc/34/76/34/792347634.db2.gz MEYGNFBATXEUOO-NWDGAFQWSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100066927 792348772 /nfs/dbraw/zinc/34/87/72/792348772.db2.gz MEYGNFBATXEUOO-RYUDHWBXSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100066927 792348759 /nfs/dbraw/zinc/34/87/59/792348759.db2.gz MEYGNFBATXEUOO-RYUDHWBXSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100066929 792348810 /nfs/dbraw/zinc/34/88/10/792348810.db2.gz MEYGNFBATXEUOO-VXGBXAGGSA-N 1 2 339.396 -1.777 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100066929 792348793 /nfs/dbraw/zinc/34/87/93/792348793.db2.gz MEYGNFBATXEUOO-VXGBXAGGSA-N 1 2 339.396 -1.777 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100067356 792348110 /nfs/dbraw/zinc/34/81/10/792348110.db2.gz QQGXHKWRLUIHPV-CHWSQXEVSA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100067356 792348099 /nfs/dbraw/zinc/34/80/99/792348099.db2.gz QQGXHKWRLUIHPV-CHWSQXEVSA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100067357 792348301 /nfs/dbraw/zinc/34/83/01/792348301.db2.gz QQGXHKWRLUIHPV-OLZOCXBDSA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100067357 792348294 /nfs/dbraw/zinc/34/82/94/792348294.db2.gz QQGXHKWRLUIHPV-OLZOCXBDSA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100067358 792346814 /nfs/dbraw/zinc/34/68/14/792346814.db2.gz QQGXHKWRLUIHPV-QWHCGFSZSA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@H](O)C1 ZINC001100067358 792346799 /nfs/dbraw/zinc/34/67/99/792346799.db2.gz QQGXHKWRLUIHPV-QWHCGFSZSA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100067359 792347319 /nfs/dbraw/zinc/34/73/19/792347319.db2.gz QQGXHKWRLUIHPV-STQMWFEESA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001100067359 792347307 /nfs/dbraw/zinc/34/73/07/792347307.db2.gz QQGXHKWRLUIHPV-STQMWFEESA-N 1 2 338.408 -1.667 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001100067748 792349324 /nfs/dbraw/zinc/34/93/24/792349324.db2.gz XLMDQMFEVUIDHF-CABCVRRESA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001100067748 792349321 /nfs/dbraw/zinc/34/93/21/792349321.db2.gz XLMDQMFEVUIDHF-CABCVRRESA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001100067749 792351501 /nfs/dbraw/zinc/35/15/01/792351501.db2.gz XLMDQMFEVUIDHF-GJZGRUSLSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001100067749 792351485 /nfs/dbraw/zinc/35/14/85/792351485.db2.gz XLMDQMFEVUIDHF-GJZGRUSLSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(CC)c2)[C@H](O)C1 ZINC001100067750 792351279 /nfs/dbraw/zinc/35/12/79/792351279.db2.gz XLMDQMFEVUIDHF-HUUCEWRRSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(CC)c2)[C@H](O)C1 ZINC001100067750 792351269 /nfs/dbraw/zinc/35/12/69/792351269.db2.gz XLMDQMFEVUIDHF-HUUCEWRRSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(CC)c2)[C@H](O)C1 ZINC001100067751 792351964 /nfs/dbraw/zinc/35/19/64/792351964.db2.gz XLMDQMFEVUIDHF-LSDHHAIUSA-N 1 2 347.419 -1.254 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(CC)c2)[C@H](O)C1 ZINC001100067751 792351951 /nfs/dbraw/zinc/35/19/51/792351951.db2.gz XLMDQMFEVUIDHF-LSDHHAIUSA-N 1 2 347.419 -1.254 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001100068767 792351876 /nfs/dbraw/zinc/35/18/76/792351876.db2.gz AVKNSRHJXOXKHN-KBPBESRZSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001100068767 792351871 /nfs/dbraw/zinc/35/18/71/792351871.db2.gz AVKNSRHJXOXKHN-KBPBESRZSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001100068768 792350707 /nfs/dbraw/zinc/35/07/07/792350707.db2.gz AVKNSRHJXOXKHN-KGLIPLIRSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001100068768 792350695 /nfs/dbraw/zinc/35/06/95/792350695.db2.gz AVKNSRHJXOXKHN-KGLIPLIRSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCCOC)[C@H](O)C1 ZINC001100068769 792352062 /nfs/dbraw/zinc/35/20/62/792352062.db2.gz AVKNSRHJXOXKHN-UONOGXRCSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCCOC)[C@H](O)C1 ZINC001100068769 792352053 /nfs/dbraw/zinc/35/20/53/792352053.db2.gz AVKNSRHJXOXKHN-UONOGXRCSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCCOC)[C@H](O)C1 ZINC001100068770 792349285 /nfs/dbraw/zinc/34/92/85/792349285.db2.gz AVKNSRHJXOXKHN-ZIAGYGMSSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCCOC)[C@H](O)C1 ZINC001100068770 792349281 /nfs/dbraw/zinc/34/92/81/792349281.db2.gz AVKNSRHJXOXKHN-ZIAGYGMSSA-N 1 2 343.424 -1.107 20 30 EAEDLO COCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100069179 792350149 /nfs/dbraw/zinc/35/01/49/792350149.db2.gz IZWGQRMRQRXENH-CHWSQXEVSA-N 1 2 342.396 -1.769 20 30 EAEDLO COCCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100069179 792350141 /nfs/dbraw/zinc/35/01/41/792350141.db2.gz IZWGQRMRQRXENH-CHWSQXEVSA-N 1 2 342.396 -1.769 20 30 EAEDLO COCCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100069180 792351057 /nfs/dbraw/zinc/35/10/57/792351057.db2.gz IZWGQRMRQRXENH-OLZOCXBDSA-N 1 2 342.396 -1.769 20 30 EAEDLO COCCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100069180 792351049 /nfs/dbraw/zinc/35/10/49/792351049.db2.gz IZWGQRMRQRXENH-OLZOCXBDSA-N 1 2 342.396 -1.769 20 30 EAEDLO COCCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100069181 792350473 /nfs/dbraw/zinc/35/04/73/792350473.db2.gz IZWGQRMRQRXENH-QWHCGFSZSA-N 1 2 342.396 -1.769 20 30 EAEDLO COCCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100069181 792350462 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C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#C)nc2)[C@H](O)C1 ZINC001100075920 792359354 /nfs/dbraw/zinc/35/93/54/792359354.db2.gz BXYIYXYWMNFNQC-JKSUJKDBSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001100076185 792360597 /nfs/dbraw/zinc/36/05/97/792360597.db2.gz HWNSGLWSLRASQV-KBPBESRZSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001100076185 792360585 /nfs/dbraw/zinc/36/05/85/792360585.db2.gz HWNSGLWSLRASQV-KBPBESRZSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001100076186 792359728 /nfs/dbraw/zinc/35/97/28/792359728.db2.gz HWNSGLWSLRASQV-KGLIPLIRSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC001100076186 792359712 /nfs/dbraw/zinc/35/97/12/792359712.db2.gz HWNSGLWSLRASQV-KGLIPLIRSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC001100076187 792360738 /nfs/dbraw/zinc/36/07/38/792360738.db2.gz HWNSGLWSLRASQV-UONOGXRCSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC001100076187 792360731 /nfs/dbraw/zinc/36/07/31/792360731.db2.gz HWNSGLWSLRASQV-UONOGXRCSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC001100076188 792360422 /nfs/dbraw/zinc/36/04/22/792360422.db2.gz HWNSGLWSLRASQV-ZIAGYGMSSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC001100076188 792360416 /nfs/dbraw/zinc/36/04/16/792360416.db2.gz HWNSGLWSLRASQV-ZIAGYGMSSA-N 1 2 346.387 -1.700 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001100076189 792361456 /nfs/dbraw/zinc/36/14/56/792361456.db2.gz HXBJTIUCTKBEGO-CHWSQXEVSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001100076189 792361446 /nfs/dbraw/zinc/36/14/46/792361446.db2.gz HXBJTIUCTKBEGO-CHWSQXEVSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001100076190 792359330 /nfs/dbraw/zinc/35/93/30/792359330.db2.gz HXBJTIUCTKBEGO-OLZOCXBDSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001100076190 792359320 /nfs/dbraw/zinc/35/93/20/792359320.db2.gz HXBJTIUCTKBEGO-OLZOCXBDSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001100076191 792359403 /nfs/dbraw/zinc/35/94/03/792359403.db2.gz HXBJTIUCTKBEGO-QWHCGFSZSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001100076191 792359392 /nfs/dbraw/zinc/35/93/92/792359392.db2.gz HXBJTIUCTKBEGO-QWHCGFSZSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001100076192 792361113 /nfs/dbraw/zinc/36/11/13/792361113.db2.gz HXBJTIUCTKBEGO-STQMWFEESA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001100076192 792361105 /nfs/dbraw/zinc/36/11/05/792361105.db2.gz HXBJTIUCTKBEGO-STQMWFEESA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)nc1 ZINC001100076237 792359861 /nfs/dbraw/zinc/35/98/61/792359861.db2.gz IHXAOIWTAOPCSH-AAEUAGOBSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)nc1 ZINC001100076237 792359849 /nfs/dbraw/zinc/35/98/49/792359849.db2.gz IHXAOIWTAOPCSH-AAEUAGOBSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)nc1 ZINC001100076238 792360029 /nfs/dbraw/zinc/36/00/29/792360029.db2.gz IHXAOIWTAOPCSH-DGCLKSJQSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)nc1 ZINC001100076238 792360024 /nfs/dbraw/zinc/36/00/24/792360024.db2.gz IHXAOIWTAOPCSH-DGCLKSJQSA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)nc1 ZINC001100076239 792360401 /nfs/dbraw/zinc/36/04/01/792360401.db2.gz IHXAOIWTAOPCSH-WCQYABFASA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)nc1 ZINC001100076239 792360395 /nfs/dbraw/zinc/36/03/95/792360395.db2.gz IHXAOIWTAOPCSH-WCQYABFASA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)nc1 ZINC001100076240 792359475 /nfs/dbraw/zinc/35/94/75/792359475.db2.gz IHXAOIWTAOPCSH-YPMHNXCESA-N 1 2 345.359 -1.577 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)nc1 ZINC001100076240 792359470 /nfs/dbraw/zinc/35/94/70/792359470.db2.gz IHXAOIWTAOPCSH-YPMHNXCESA-N 1 2 345.359 -1.577 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#C)cn2)[C@H](O)C1 ZINC001100076265 792360079 /nfs/dbraw/zinc/36/00/79/792360079.db2.gz IWHIXRYYLUTQLH-GDBMZVCRSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#C)cn2)[C@H](O)C1 ZINC001100076265 792360069 /nfs/dbraw/zinc/36/00/69/792360069.db2.gz IWHIXRYYLUTQLH-GDBMZVCRSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#C)cn2)[C@H](O)C1 ZINC001100076266 792360989 /nfs/dbraw/zinc/36/09/89/792360989.db2.gz IWHIXRYYLUTQLH-GOEBONIOSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#C)cn2)[C@H](O)C1 ZINC001100076266 792360958 /nfs/dbraw/zinc/36/09/58/792360958.db2.gz IWHIXRYYLUTQLH-GOEBONIOSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#C)cn2)[C@@H](O)C1 ZINC001100076267 792361265 /nfs/dbraw/zinc/36/12/65/792361265.db2.gz IWHIXRYYLUTQLH-HOCLYGCPSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#C)cn2)[C@@H](O)C1 ZINC001100076267 792361258 /nfs/dbraw/zinc/36/12/58/792361258.db2.gz IWHIXRYYLUTQLH-HOCLYGCPSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#C)cn2)[C@@H](O)C1 ZINC001100076268 792361603 /nfs/dbraw/zinc/36/16/03/792361603.db2.gz IWHIXRYYLUTQLH-ZBFHGGJFSA-N 1 2 340.383 -1.023 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#C)cn2)[C@@H](O)C1 ZINC001100076268 792361593 /nfs/dbraw/zinc/36/15/93/792361593.db2.gz IWHIXRYYLUTQLH-ZBFHGGJFSA-N 1 2 340.383 -1.023 20 30 EAEDLO Cn1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1=O ZINC001100076273 792361791 /nfs/dbraw/zinc/36/17/91/792361791.db2.gz IWYQEJHXIUUXHS-CHWSQXEVSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1=O ZINC001100076273 792361782 /nfs/dbraw/zinc/36/17/82/792361782.db2.gz IWYQEJHXIUUXHS-CHWSQXEVSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1=O ZINC001100076274 792360213 /nfs/dbraw/zinc/36/02/13/792360213.db2.gz IWYQEJHXIUUXHS-OLZOCXBDSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1=O ZINC001100076274 792360206 /nfs/dbraw/zinc/36/02/06/792360206.db2.gz IWYQEJHXIUUXHS-OLZOCXBDSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1=O ZINC001100076275 792360108 /nfs/dbraw/zinc/36/01/08/792360108.db2.gz IWYQEJHXIUUXHS-QWHCGFSZSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1=O ZINC001100076275 792360098 /nfs/dbraw/zinc/36/00/98/792360098.db2.gz IWYQEJHXIUUXHS-QWHCGFSZSA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1=O ZINC001100076276 792361684 /nfs/dbraw/zinc/36/16/84/792361684.db2.gz IWYQEJHXIUUXHS-STQMWFEESA-N 1 2 347.375 -1.810 20 30 EAEDLO Cn1cccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1=O ZINC001100076276 792361674 /nfs/dbraw/zinc/36/16/74/792361674.db2.gz IWYQEJHXIUUXHS-STQMWFEESA-N 1 2 347.375 -1.810 20 30 EAEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nc1 ZINC001100076373 792360050 /nfs/dbraw/zinc/36/00/50/792360050.db2.gz KIDFWRJZAAZANK-DZGCQCFKSA-N 1 2 341.371 -1.132 20 30 EAEDLO 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792369641 /nfs/dbraw/zinc/36/96/41/792369641.db2.gz WACCPXOFCFYLJE-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094992 792370403 /nfs/dbraw/zinc/37/04/03/792370403.db2.gz WACCPXOFCFYLJE-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094992 792370392 /nfs/dbraw/zinc/37/03/92/792370392.db2.gz WACCPXOFCFYLJE-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001100095117 792368835 /nfs/dbraw/zinc/36/88/35/792368835.db2.gz XRRFXWRPXFROSE-CHWSQXEVSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC001100095117 792368827 /nfs/dbraw/zinc/36/88/27/792368827.db2.gz XRRFXWRPXFROSE-CHWSQXEVSA-N 1 2 332.360 -1.298 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001100095118 792369873 /nfs/dbraw/zinc/36/98/73/792369873.db2.gz 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EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001100096591 792373203 /nfs/dbraw/zinc/37/32/03/792373203.db2.gz JSBLPMAMEJAHOV-AAEUAGOBSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001100096591 792373190 /nfs/dbraw/zinc/37/31/90/792373190.db2.gz JSBLPMAMEJAHOV-AAEUAGOBSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096592 792371677 /nfs/dbraw/zinc/37/16/77/792371677.db2.gz JSBLPMAMEJAHOV-DGCLKSJQSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096592 792371665 /nfs/dbraw/zinc/37/16/65/792371665.db2.gz JSBLPMAMEJAHOV-DGCLKSJQSA-N 1 2 347.375 -2.305 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096593 792372861 /nfs/dbraw/zinc/37/28/61/792372861.db2.gz JSBLPMAMEJAHOV-WCQYABFASA-N 1 2 347.375 -2.305 20 30 EAEDLO 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349.391 -1.419 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100109551 792387729 /nfs/dbraw/zinc/38/77/29/792387729.db2.gz HEOLYAWZOPEVLJ-YPMHNXCESA-N 1 2 349.391 -1.419 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100109808 792387595 /nfs/dbraw/zinc/38/75/95/792387595.db2.gz KQMJQTALLBZLLR-CMPLNLGQSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100109808 792387583 /nfs/dbraw/zinc/38/75/83/792387583.db2.gz KQMJQTALLBZLLR-CMPLNLGQSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100109809 792386464 /nfs/dbraw/zinc/38/64/64/792386464.db2.gz KQMJQTALLBZLLR-JQWIXIFHSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100109809 792386452 /nfs/dbraw/zinc/38/64/52/792386452.db2.gz KQMJQTALLBZLLR-JQWIXIFHSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100109810 792385791 /nfs/dbraw/zinc/38/57/91/792385791.db2.gz KQMJQTALLBZLLR-PWSUYJOCSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100109810 792385785 /nfs/dbraw/zinc/38/57/85/792385785.db2.gz KQMJQTALLBZLLR-PWSUYJOCSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100109811 792387821 /nfs/dbraw/zinc/38/78/21/792387821.db2.gz KQMJQTALLBZLLR-ZYHUDNBSSA-N 1 2 348.363 -2.082 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100109811 792387811 /nfs/dbraw/zinc/38/78/11/792387811.db2.gz KQMJQTALLBZLLR-ZYHUDNBSSA-N 1 2 348.363 -2.082 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100110292 792388482 /nfs/dbraw/zinc/38/84/82/792388482.db2.gz SVPMDFJAPVKKNO-AAEUAGOBSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100110292 792388470 /nfs/dbraw/zinc/38/84/70/792388470.db2.gz SVPMDFJAPVKKNO-AAEUAGOBSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100110293 792386264 /nfs/dbraw/zinc/38/62/64/792386264.db2.gz SVPMDFJAPVKKNO-DGCLKSJQSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100110293 792386260 /nfs/dbraw/zinc/38/62/60/792386260.db2.gz SVPMDFJAPVKKNO-DGCLKSJQSA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100110294 792387634 /nfs/dbraw/zinc/38/76/34/792387634.db2.gz SVPMDFJAPVKKNO-WCQYABFASA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001100110294 792387622 /nfs/dbraw/zinc/38/76/22/792387622.db2.gz SVPMDFJAPVKKNO-WCQYABFASA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100110295 792387049 /nfs/dbraw/zinc/38/70/49/792387049.db2.gz SVPMDFJAPVKKNO-YPMHNXCESA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001100110295 792387041 /nfs/dbraw/zinc/38/70/41/792387041.db2.gz SVPMDFJAPVKKNO-YPMHNXCESA-N 1 2 347.375 -1.972 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2CC)[C@@H](O)C1 ZINC001100111504 792389718 /nfs/dbraw/zinc/38/97/18/792389718.db2.gz FMIXIYAAKBASHE-CABCVRRESA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2CC)[C@@H](O)C1 ZINC001100111504 792389708 /nfs/dbraw/zinc/38/97/08/792389708.db2.gz FMIXIYAAKBASHE-CABCVRRESA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2CC)[C@@H](O)C1 ZINC001100111505 792389320 /nfs/dbraw/zinc/38/93/20/792389320.db2.gz FMIXIYAAKBASHE-GJZGRUSLSA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2CC)[C@@H](O)C1 ZINC001100111505 792389313 /nfs/dbraw/zinc/38/93/13/792389313.db2.gz FMIXIYAAKBASHE-GJZGRUSLSA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2CC)[C@H](O)C1 ZINC001100111506 792390066 /nfs/dbraw/zinc/39/00/66/792390066.db2.gz FMIXIYAAKBASHE-HUUCEWRRSA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2CC)[C@H](O)C1 ZINC001100111506 792390056 /nfs/dbraw/zinc/39/00/56/792390056.db2.gz FMIXIYAAKBASHE-HUUCEWRRSA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2CC)[C@H](O)C1 ZINC001100111507 792390975 /nfs/dbraw/zinc/39/09/75/792390975.db2.gz FMIXIYAAKBASHE-LSDHHAIUSA-N 1 2 345.403 -1.047 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2CC)[C@H](O)C1 ZINC001100111507 792390968 /nfs/dbraw/zinc/39/09/68/792390968.db2.gz FMIXIYAAKBASHE-LSDHHAIUSA-N 1 2 345.403 -1.047 20 30 EAEDLO CCc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100112309 792391304 /nfs/dbraw/zinc/39/13/04/792391304.db2.gz RKKUAXHLEAHVIB-KBPBESRZSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100112309 792391296 /nfs/dbraw/zinc/39/12/96/792391296.db2.gz RKKUAXHLEAHVIB-KBPBESRZSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100112313 792390542 /nfs/dbraw/zinc/39/05/42/792390542.db2.gz RKKUAXHLEAHVIB-KGLIPLIRSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100112313 792390538 /nfs/dbraw/zinc/39/05/38/792390538.db2.gz RKKUAXHLEAHVIB-KGLIPLIRSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100112315 792391217 /nfs/dbraw/zinc/39/12/17/792391217.db2.gz RKKUAXHLEAHVIB-UONOGXRCSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100112315 792391207 /nfs/dbraw/zinc/39/12/07/792391207.db2.gz RKKUAXHLEAHVIB-UONOGXRCSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100112317 792389589 /nfs/dbraw/zinc/38/95/89/792389589.db2.gz RKKUAXHLEAHVIB-ZIAGYGMSSA-N 1 2 346.391 -1.156 20 30 EAEDLO CCc1ncncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100112317 792389585 /nfs/dbraw/zinc/38/95/85/792389585.db2.gz RKKUAXHLEAHVIB-ZIAGYGMSSA-N 1 2 346.391 -1.156 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)[C@H](O)C1 ZINC001100113818 792390563 /nfs/dbraw/zinc/39/05/63/792390563.db2.gz FRKJTOYEUUUYKX-GXTWGEPZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)[C@H](O)C1 ZINC001100113818 792390558 /nfs/dbraw/zinc/39/05/58/792390558.db2.gz FRKJTOYEUUUYKX-GXTWGEPZSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 ZINC001100113819 792390931 /nfs/dbraw/zinc/39/09/31/792390931.db2.gz FRKJTOYEUUUYKX-JSGCOSHPSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 ZINC001100113819 792390923 /nfs/dbraw/zinc/39/09/23/792390923.db2.gz FRKJTOYEUUUYKX-JSGCOSHPSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 ZINC001100113820 792390220 /nfs/dbraw/zinc/39/02/20/792390220.db2.gz FRKJTOYEUUUYKX-OCCSQVGLSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 ZINC001100113820 792390212 /nfs/dbraw/zinc/39/02/12/792390212.db2.gz FRKJTOYEUUUYKX-OCCSQVGLSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)[C@H](O)C1 ZINC001100113821 792390249 /nfs/dbraw/zinc/39/02/49/792390249.db2.gz FRKJTOYEUUUYKX-TZMCWYRMSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)[C@H](O)C1 ZINC001100113821 792390241 /nfs/dbraw/zinc/39/02/41/792390241.db2.gz FRKJTOYEUUUYKX-TZMCWYRMSA-N 1 2 331.376 -1.301 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100114577 792390094 /nfs/dbraw/zinc/39/00/94/792390094.db2.gz QGMPCZWQGDQBOP-CABCVRRESA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100114577 792390085 /nfs/dbraw/zinc/39/00/85/792390085.db2.gz QGMPCZWQGDQBOP-CABCVRRESA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100114578 792389782 /nfs/dbraw/zinc/38/97/82/792389782.db2.gz QGMPCZWQGDQBOP-GJZGRUSLSA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100114578 792389772 /nfs/dbraw/zinc/38/97/72/792389772.db2.gz QGMPCZWQGDQBOP-GJZGRUSLSA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100114579 792391489 /nfs/dbraw/zinc/39/14/89/792391489.db2.gz QGMPCZWQGDQBOP-HUUCEWRRSA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100114579 792391479 /nfs/dbraw/zinc/39/14/79/792391479.db2.gz QGMPCZWQGDQBOP-HUUCEWRRSA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100114580 792389998 /nfs/dbraw/zinc/38/99/98/792389998.db2.gz QGMPCZWQGDQBOP-LSDHHAIUSA-N 1 2 347.419 -1.036 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100114580 792389987 /nfs/dbraw/zinc/38/99/87/792389987.db2.gz QGMPCZWQGDQBOP-LSDHHAIUSA-N 1 2 347.419 -1.036 20 30 EAEDLO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100114641 792390665 /nfs/dbraw/zinc/39/06/65/792390665.db2.gz RIJSFWRVBUPRSS-AAEUAGOBSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100114641 792390660 /nfs/dbraw/zinc/39/06/60/792390660.db2.gz RIJSFWRVBUPRSS-AAEUAGOBSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100114642 792389567 /nfs/dbraw/zinc/38/95/67/792389567.db2.gz RIJSFWRVBUPRSS-DGCLKSJQSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100114642 792389559 /nfs/dbraw/zinc/38/95/59/792389559.db2.gz RIJSFWRVBUPRSS-DGCLKSJQSA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100114643 792389498 /nfs/dbraw/zinc/38/94/98/792389498.db2.gz RIJSFWRVBUPRSS-WCQYABFASA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)n1 ZINC001100114643 792389491 /nfs/dbraw/zinc/38/94/91/792389491.db2.gz RIJSFWRVBUPRSS-WCQYABFASA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100114644 792391339 /nfs/dbraw/zinc/39/13/39/792391339.db2.gz RIJSFWRVBUPRSS-YPMHNXCESA-N 1 2 332.364 -1.410 20 30 EAEDLO Cc1nccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)n1 ZINC001100114644 792391328 /nfs/dbraw/zinc/39/13/28/792391328.db2.gz RIJSFWRVBUPRSS-YPMHNXCESA-N 1 2 332.364 -1.410 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116035 786472690 /nfs/dbraw/zinc/47/26/90/786472690.db2.gz KQCDYSXGXPOZFA-GHMZBOCLSA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116035 786472688 /nfs/dbraw/zinc/47/26/88/786472688.db2.gz KQCDYSXGXPOZFA-GHMZBOCLSA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116036 786472701 /nfs/dbraw/zinc/47/27/01/786472701.db2.gz KQCDYSXGXPOZFA-MNOVXSKESA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116036 786472698 /nfs/dbraw/zinc/47/26/98/786472698.db2.gz KQCDYSXGXPOZFA-MNOVXSKESA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116037 786472358 /nfs/dbraw/zinc/47/23/58/786472358.db2.gz KQCDYSXGXPOZFA-QWRGUYRKSA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116037 786472355 /nfs/dbraw/zinc/47/23/55/786472355.db2.gz KQCDYSXGXPOZFA-QWRGUYRKSA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116038 786471876 /nfs/dbraw/zinc/47/18/76/786471876.db2.gz KQCDYSXGXPOZFA-WDEREUQCSA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116038 786471869 /nfs/dbraw/zinc/47/18/69/786471869.db2.gz KQCDYSXGXPOZFA-WDEREUQCSA-N 1 2 348.425 -2.611 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117479 792393225 /nfs/dbraw/zinc/39/32/25/792393225.db2.gz JMTTWTXUBRWLAE-GHMZBOCLSA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117479 792393213 /nfs/dbraw/zinc/39/32/13/792393213.db2.gz JMTTWTXUBRWLAE-GHMZBOCLSA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117480 792392190 /nfs/dbraw/zinc/39/21/90/792392190.db2.gz JMTTWTXUBRWLAE-MNOVXSKESA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117480 792392184 /nfs/dbraw/zinc/39/21/84/792392184.db2.gz JMTTWTXUBRWLAE-MNOVXSKESA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117481 792392814 /nfs/dbraw/zinc/39/28/14/792392814.db2.gz JMTTWTXUBRWLAE-QWRGUYRKSA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117481 792392806 /nfs/dbraw/zinc/39/28/06/792392806.db2.gz JMTTWTXUBRWLAE-QWRGUYRKSA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117482 792393532 /nfs/dbraw/zinc/39/35/32/792393532.db2.gz JMTTWTXUBRWLAE-WDEREUQCSA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117482 792393524 /nfs/dbraw/zinc/39/35/24/792393524.db2.gz JMTTWTXUBRWLAE-WDEREUQCSA-N 1 2 346.409 -3.164 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117491 792392892 /nfs/dbraw/zinc/39/28/92/792392892.db2.gz JPIAXEOWYRJBPV-NXEZZACHSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117491 792392879 /nfs/dbraw/zinc/39/28/79/792392879.db2.gz JPIAXEOWYRJBPV-NXEZZACHSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117492 792393862 /nfs/dbraw/zinc/39/38/62/792393862.db2.gz JPIAXEOWYRJBPV-UWVGGRQHSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117492 792393857 /nfs/dbraw/zinc/39/38/57/792393857.db2.gz JPIAXEOWYRJBPV-UWVGGRQHSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117493 792392726 /nfs/dbraw/zinc/39/27/26/792392726.db2.gz JPIAXEOWYRJBPV-VHSXEESVSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117493 792392717 /nfs/dbraw/zinc/39/27/17/792392717.db2.gz JPIAXEOWYRJBPV-VHSXEESVSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117494 792392331 /nfs/dbraw/zinc/39/23/31/792392331.db2.gz JPIAXEOWYRJBPV-ZJUUUORDSA-N 1 2 325.818 -1.161 20 30 EAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117494 792392316 /nfs/dbraw/zinc/39/23/16/792392316.db2.gz JPIAXEOWYRJBPV-ZJUUUORDSA-N 1 2 325.818 -1.161 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100117539 786473871 /nfs/dbraw/zinc/47/38/71/786473871.db2.gz KKGJBQFFFDHYSS-NXEZZACHSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100117539 786473868 /nfs/dbraw/zinc/47/38/68/786473868.db2.gz KKGJBQFFFDHYSS-NXEZZACHSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100117540 786474285 /nfs/dbraw/zinc/47/42/85/786474285.db2.gz KKGJBQFFFDHYSS-UWVGGRQHSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100117540 786474276 /nfs/dbraw/zinc/47/42/76/786474276.db2.gz KKGJBQFFFDHYSS-UWVGGRQHSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100117541 786473887 /nfs/dbraw/zinc/47/38/87/786473887.db2.gz KKGJBQFFFDHYSS-VHSXEESVSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100117541 786473883 /nfs/dbraw/zinc/47/38/83/786473883.db2.gz KKGJBQFFFDHYSS-VHSXEESVSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100117542 786473692 /nfs/dbraw/zinc/47/36/92/786473692.db2.gz KKGJBQFFFDHYSS-ZJUUUORDSA-N 1 2 347.397 -3.273 20 30 EAEDLO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100117542 786473689 /nfs/dbraw/zinc/47/36/89/786473689.db2.gz KKGJBQFFFDHYSS-ZJUUUORDSA-N 1 2 347.397 -3.273 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100118155 792395795 /nfs/dbraw/zinc/39/57/95/792395795.db2.gz WFIUUZWGLMOWLB-KBPBESRZSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100118155 792395788 /nfs/dbraw/zinc/39/57/88/792395788.db2.gz WFIUUZWGLMOWLB-KBPBESRZSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100118156 792396276 /nfs/dbraw/zinc/39/62/76/792396276.db2.gz WFIUUZWGLMOWLB-KGLIPLIRSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001100118156 792396266 /nfs/dbraw/zinc/39/62/66/792396266.db2.gz WFIUUZWGLMOWLB-KGLIPLIRSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100118157 792394838 /nfs/dbraw/zinc/39/48/38/792394838.db2.gz WFIUUZWGLMOWLB-UONOGXRCSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100118157 792394826 /nfs/dbraw/zinc/39/48/26/792394826.db2.gz WFIUUZWGLMOWLB-UONOGXRCSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100118158 792394893 /nfs/dbraw/zinc/39/48/93/792394893.db2.gz WFIUUZWGLMOWLB-ZIAGYGMSSA-N 1 2 348.407 -1.146 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC001100118158 792394887 /nfs/dbraw/zinc/39/48/87/792394887.db2.gz WFIUUZWGLMOWLB-ZIAGYGMSSA-N 1 2 348.407 -1.146 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001100125296 792399019 /nfs/dbraw/zinc/39/90/19/792399019.db2.gz VWFMOWRBGLIXMM-KBPBESRZSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001100125296 792399007 /nfs/dbraw/zinc/39/90/07/792399007.db2.gz VWFMOWRBGLIXMM-KBPBESRZSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001100125297 792397120 /nfs/dbraw/zinc/39/71/20/792397120.db2.gz VWFMOWRBGLIXMM-KGLIPLIRSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)cn1 ZINC001100125297 792397110 /nfs/dbraw/zinc/39/71/10/792397110.db2.gz VWFMOWRBGLIXMM-KGLIPLIRSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001100125298 792398876 /nfs/dbraw/zinc/39/88/76/792398876.db2.gz VWFMOWRBGLIXMM-UONOGXRCSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001100125298 792398868 /nfs/dbraw/zinc/39/88/68/792398868.db2.gz VWFMOWRBGLIXMM-UONOGXRCSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001100125299 792399198 /nfs/dbraw/zinc/39/91/98/792399198.db2.gz VWFMOWRBGLIXMM-ZIAGYGMSSA-N 1 2 348.407 -1.456 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)cn1 ZINC001100125299 792399189 /nfs/dbraw/zinc/39/91/89/792399189.db2.gz VWFMOWRBGLIXMM-ZIAGYGMSSA-N 1 2 348.407 -1.456 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 ZINC001100125396 792397455 /nfs/dbraw/zinc/39/74/55/792397455.db2.gz XXNPZSBNCAZJBB-CABCVRRESA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 ZINC001100125396 792397447 /nfs/dbraw/zinc/39/74/47/792397447.db2.gz XXNPZSBNCAZJBB-CABCVRRESA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 ZINC001100125397 792396887 /nfs/dbraw/zinc/39/68/87/792396887.db2.gz XXNPZSBNCAZJBB-GJZGRUSLSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 ZINC001100125397 792396877 /nfs/dbraw/zinc/39/68/77/792396877.db2.gz XXNPZSBNCAZJBB-GJZGRUSLSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 ZINC001100125398 792397624 /nfs/dbraw/zinc/39/76/24/792397624.db2.gz XXNPZSBNCAZJBB-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 ZINC001100125398 792397614 /nfs/dbraw/zinc/39/76/14/792397614.db2.gz XXNPZSBNCAZJBB-HUUCEWRRSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 ZINC001100125399 792397691 /nfs/dbraw/zinc/39/76/91/792397691.db2.gz XXNPZSBNCAZJBB-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 ZINC001100125399 792397684 /nfs/dbraw/zinc/39/76/84/792397684.db2.gz XXNPZSBNCAZJBB-LSDHHAIUSA-N 1 2 347.419 -1.347 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](O)C1 ZINC001100126174 792399402 /nfs/dbraw/zinc/39/94/02/792399402.db2.gz CLQKUEMVOUOOTE-CABCVRRESA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H](O)C1 ZINC001100126174 792399385 /nfs/dbraw/zinc/39/93/85/792399385.db2.gz CLQKUEMVOUOOTE-CABCVRRESA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)[C@@H](O)C1 ZINC001100126175 792397973 /nfs/dbraw/zinc/39/79/73/792397973.db2.gz CLQKUEMVOUOOTE-GJZGRUSLSA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)[C@@H](O)C1 ZINC001100126175 792397962 /nfs/dbraw/zinc/39/79/62/792397962.db2.gz CLQKUEMVOUOOTE-GJZGRUSLSA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(C)cn2)[C@H](O)C1 ZINC001100126176 792399329 /nfs/dbraw/zinc/39/93/29/792399329.db2.gz CLQKUEMVOUOOTE-HUUCEWRRSA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc(C)cn2)[C@H](O)C1 ZINC001100126176 792399321 /nfs/dbraw/zinc/39/93/21/792399321.db2.gz CLQKUEMVOUOOTE-HUUCEWRRSA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)[C@H](O)C1 ZINC001100126177 792396560 /nfs/dbraw/zinc/39/65/60/792396560.db2.gz CLQKUEMVOUOOTE-LSDHHAIUSA-N 1 2 347.419 -1.118 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)[C@H](O)C1 ZINC001100126177 792396551 /nfs/dbraw/zinc/39/65/51/792396551.db2.gz CLQKUEMVOUOOTE-LSDHHAIUSA-N 1 2 347.419 -1.118 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001100126786 792400254 /nfs/dbraw/zinc/40/02/54/792400254.db2.gz MQLIUNFQZVJKDX-KBPBESRZSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001100126786 792400248 /nfs/dbraw/zinc/40/02/48/792400248.db2.gz MQLIUNFQZVJKDX-KBPBESRZSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001100126787 792400064 /nfs/dbraw/zinc/40/00/64/792400064.db2.gz MQLIUNFQZVJKDX-KGLIPLIRSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1 ZINC001100126787 792400059 /nfs/dbraw/zinc/40/00/59/792400059.db2.gz MQLIUNFQZVJKDX-KGLIPLIRSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001100126788 792400460 /nfs/dbraw/zinc/40/04/60/792400460.db2.gz MQLIUNFQZVJKDX-UONOGXRCSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001100126788 792400454 /nfs/dbraw/zinc/40/04/54/792400454.db2.gz MQLIUNFQZVJKDX-UONOGXRCSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001100126789 792401213 /nfs/dbraw/zinc/40/12/13/792401213.db2.gz MQLIUNFQZVJKDX-ZIAGYGMSSA-N 1 2 348.407 -1.227 20 30 EAEDLO Cc1cnn(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1 ZINC001100126789 792401206 /nfs/dbraw/zinc/40/12/06/792401206.db2.gz MQLIUNFQZVJKDX-ZIAGYGMSSA-N 1 2 348.407 -1.227 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100129392 792402140 /nfs/dbraw/zinc/40/21/40/792402140.db2.gz LRUQVOUSJXPGQQ-GHMZBOCLSA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100129392 792402136 /nfs/dbraw/zinc/40/21/36/792402136.db2.gz LRUQVOUSJXPGQQ-GHMZBOCLSA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100129393 792402950 /nfs/dbraw/zinc/40/29/50/792402950.db2.gz LRUQVOUSJXPGQQ-MNOVXSKESA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100129393 792402945 /nfs/dbraw/zinc/40/29/45/792402945.db2.gz LRUQVOUSJXPGQQ-MNOVXSKESA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100129394 792402121 /nfs/dbraw/zinc/40/21/21/792402121.db2.gz LRUQVOUSJXPGQQ-QWRGUYRKSA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100129394 792402113 /nfs/dbraw/zinc/40/21/13/792402113.db2.gz LRUQVOUSJXPGQQ-QWRGUYRKSA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100129395 792403152 /nfs/dbraw/zinc/40/31/52/792403152.db2.gz LRUQVOUSJXPGQQ-WDEREUQCSA-N 1 2 341.412 -1.713 20 30 EAEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100129395 792403148 /nfs/dbraw/zinc/40/31/48/792403148.db2.gz LRUQVOUSJXPGQQ-WDEREUQCSA-N 1 2 341.412 -1.713 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001100129584 792402996 /nfs/dbraw/zinc/40/29/96/792402996.db2.gz OZBNSYNZNJNNRS-AAEUAGOBSA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001100129584 792402990 /nfs/dbraw/zinc/40/29/90/792402990.db2.gz OZBNSYNZNJNNRS-AAEUAGOBSA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001100129585 792403030 /nfs/dbraw/zinc/40/30/30/792403030.db2.gz OZBNSYNZNJNNRS-DGCLKSJQSA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001100129585 792403025 /nfs/dbraw/zinc/40/30/25/792403025.db2.gz OZBNSYNZNJNNRS-DGCLKSJQSA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001100129586 792402050 /nfs/dbraw/zinc/40/20/50/792402050.db2.gz OZBNSYNZNJNNRS-WCQYABFASA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001100129586 792402045 /nfs/dbraw/zinc/40/20/45/792402045.db2.gz OZBNSYNZNJNNRS-WCQYABFASA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001100129587 792402321 /nfs/dbraw/zinc/40/23/21/792402321.db2.gz OZBNSYNZNJNNRS-YPMHNXCESA-N 1 2 349.391 -2.362 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001100129587 792402313 /nfs/dbraw/zinc/40/23/13/792402313.db2.gz OZBNSYNZNJNNRS-YPMHNXCESA-N 1 2 349.391 -2.362 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100131759 792402029 /nfs/dbraw/zinc/40/20/29/792402029.db2.gz IKKBAIMJDBQPSC-KBPBESRZSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100131759 792402021 /nfs/dbraw/zinc/40/20/21/792402021.db2.gz IKKBAIMJDBQPSC-KBPBESRZSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100131760 792402719 /nfs/dbraw/zinc/40/27/19/792402719.db2.gz IKKBAIMJDBQPSC-KGLIPLIRSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100131760 792402715 /nfs/dbraw/zinc/40/27/15/792402715.db2.gz IKKBAIMJDBQPSC-KGLIPLIRSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOCC)[C@H](O)C1 ZINC001100131761 792402631 /nfs/dbraw/zinc/40/26/31/792402631.db2.gz IKKBAIMJDBQPSC-UONOGXRCSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOCC)[C@H](O)C1 ZINC001100131761 792402623 /nfs/dbraw/zinc/40/26/23/792402623.db2.gz IKKBAIMJDBQPSC-UONOGXRCSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOCC)[C@H](O)C1 ZINC001100131762 792402690 /nfs/dbraw/zinc/40/26/90/792402690.db2.gz IKKBAIMJDBQPSC-ZIAGYGMSSA-N 1 2 343.424 -1.107 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOCC)[C@H](O)C1 ZINC001100131762 792402685 /nfs/dbraw/zinc/40/26/85/792402685.db2.gz IKKBAIMJDBQPSC-ZIAGYGMSSA-N 1 2 343.424 -1.107 20 30 EAEDLO CCOCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100132203 786615922 /nfs/dbraw/zinc/61/59/22/786615922.db2.gz PPOSAZVVUCZVQK-CHWSQXEVSA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100132203 786615916 /nfs/dbraw/zinc/61/59/16/786615916.db2.gz PPOSAZVVUCZVQK-CHWSQXEVSA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100132204 786616005 /nfs/dbraw/zinc/61/60/05/786616005.db2.gz PPOSAZVVUCZVQK-OLZOCXBDSA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100132204 786616001 /nfs/dbraw/zinc/61/60/01/786616001.db2.gz PPOSAZVVUCZVQK-OLZOCXBDSA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100132205 786616040 /nfs/dbraw/zinc/61/60/40/786616040.db2.gz PPOSAZVVUCZVQK-QWHCGFSZSA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001100132205 786616032 /nfs/dbraw/zinc/61/60/32/786616032.db2.gz PPOSAZVVUCZVQK-QWHCGFSZSA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100132206 786616865 /nfs/dbraw/zinc/61/68/65/786616865.db2.gz PPOSAZVVUCZVQK-STQMWFEESA-N 1 2 342.396 -1.769 20 30 EAEDLO CCOCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001100132206 786616860 /nfs/dbraw/zinc/61/68/60/786616860.db2.gz PPOSAZVVUCZVQK-STQMWFEESA-N 1 2 342.396 -1.769 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100132583 786617873 /nfs/dbraw/zinc/61/78/73/786617873.db2.gz WDNCTMBABLEYEQ-KBPBESRZSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100132583 786617869 /nfs/dbraw/zinc/61/78/69/786617869.db2.gz WDNCTMBABLEYEQ-KBPBESRZSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100132584 786617859 /nfs/dbraw/zinc/61/78/59/786617859.db2.gz WDNCTMBABLEYEQ-KGLIPLIRSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001100132584 786617854 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EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001100136131 792405258 /nfs/dbraw/zinc/40/52/58/792405258.db2.gz IDWNKJRAVOFBNQ-KBPBESRZSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001100136132 792404182 /nfs/dbraw/zinc/40/41/82/792404182.db2.gz IDWNKJRAVOFBNQ-KGLIPLIRSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001100136132 792404176 /nfs/dbraw/zinc/40/41/76/792404176.db2.gz IDWNKJRAVOFBNQ-KGLIPLIRSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCCOC)[C@H](O)C1 ZINC001100136133 792405212 /nfs/dbraw/zinc/40/52/12/792405212.db2.gz IDWNKJRAVOFBNQ-UONOGXRCSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCCOC)[C@H](O)C1 ZINC001100136133 792405205 /nfs/dbraw/zinc/40/52/05/792405205.db2.gz IDWNKJRAVOFBNQ-UONOGXRCSA-N 1 2 341.408 -1.660 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOCCOC)[C@H](O)C1 ZINC001100136134 792404321 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ZINC001100140909 792408222 /nfs/dbraw/zinc/40/82/22/792408222.db2.gz FYEFJUHXEBSYLZ-HIFRSBDPSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@H](O)C1 ZINC001100140910 792407788 /nfs/dbraw/zinc/40/77/88/792407788.db2.gz FYEFJUHXEBSYLZ-UKRRQHHQSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@H](O)C1 ZINC001100140910 792407783 /nfs/dbraw/zinc/40/77/83/792407783.db2.gz FYEFJUHXEBSYLZ-UKRRQHHQSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](O)C1 ZINC001100140911 792407549 /nfs/dbraw/zinc/40/75/49/792407549.db2.gz FYEFJUHXEBSYLZ-ZFWWWQNUSA-N 1 2 347.419 -1.103 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](O)C1 ZINC001100140911 792407540 /nfs/dbraw/zinc/40/75/40/792407540.db2.gz FYEFJUHXEBSYLZ-ZFWWWQNUSA-N 1 2 347.419 -1.103 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001100141184 792406787 /nfs/dbraw/zinc/40/67/87/792406787.db2.gz NGPCMHMONBINRY-GXTWGEPZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001100141184 792406783 /nfs/dbraw/zinc/40/67/83/792406783.db2.gz NGPCMHMONBINRY-GXTWGEPZSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001100141185 792407515 /nfs/dbraw/zinc/40/75/15/792407515.db2.gz NGPCMHMONBINRY-JSGCOSHPSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001100141185 792407510 /nfs/dbraw/zinc/40/75/10/792407510.db2.gz NGPCMHMONBINRY-JSGCOSHPSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001100141186 792407419 /nfs/dbraw/zinc/40/74/19/792407419.db2.gz NGPCMHMONBINRY-OCCSQVGLSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1C ZINC001100141186 792407412 /nfs/dbraw/zinc/40/74/12/792407412.db2.gz NGPCMHMONBINRY-OCCSQVGLSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001100141187 792407310 /nfs/dbraw/zinc/40/73/10/792407310.db2.gz NGPCMHMONBINRY-TZMCWYRMSA-N 1 2 348.407 -1.213 20 30 EAEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1C ZINC001100141187 792407299 /nfs/dbraw/zinc/40/72/99/792407299.db2.gz NGPCMHMONBINRY-TZMCWYRMSA-N 1 2 348.407 -1.213 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100142488 792408093 /nfs/dbraw/zinc/40/80/93/792408093.db2.gz DEEQJQCTUOCYLH-NEPJUHHUSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100142488 792408090 /nfs/dbraw/zinc/40/80/90/792408090.db2.gz DEEQJQCTUOCYLH-NEPJUHHUSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100142489 792408198 /nfs/dbraw/zinc/40/81/98/792408198.db2.gz DEEQJQCTUOCYLH-NWDGAFQWSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100142489 792408191 /nfs/dbraw/zinc/40/81/91/792408191.db2.gz DEEQJQCTUOCYLH-NWDGAFQWSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100142490 786644796 /nfs/dbraw/zinc/64/47/96/786644796.db2.gz DEEQJQCTUOCYLH-RYUDHWBXSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100142490 786644787 /nfs/dbraw/zinc/64/47/87/786644787.db2.gz DEEQJQCTUOCYLH-RYUDHWBXSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100142491 786645419 /nfs/dbraw/zinc/64/54/19/786645419.db2.gz DEEQJQCTUOCYLH-VXGBXAGGSA-N 1 2 326.397 -1.504 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100142491 786645415 /nfs/dbraw/zinc/64/54/15/786645415.db2.gz DEEQJQCTUOCYLH-VXGBXAGGSA-N 1 2 326.397 -1.504 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143188 786681567 /nfs/dbraw/zinc/68/15/67/786681567.db2.gz PHWWUMGVGWSNES-GHMZBOCLSA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143188 786681556 /nfs/dbraw/zinc/68/15/56/786681556.db2.gz PHWWUMGVGWSNES-GHMZBOCLSA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143189 786681525 /nfs/dbraw/zinc/68/15/25/786681525.db2.gz PHWWUMGVGWSNES-MNOVXSKESA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143189 786681518 /nfs/dbraw/zinc/68/15/18/786681518.db2.gz PHWWUMGVGWSNES-MNOVXSKESA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143190 786680506 /nfs/dbraw/zinc/68/05/06/786680506.db2.gz PHWWUMGVGWSNES-QWRGUYRKSA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143190 786680502 /nfs/dbraw/zinc/68/05/02/786680502.db2.gz PHWWUMGVGWSNES-QWRGUYRKSA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143191 786680989 /nfs/dbraw/zinc/68/09/89/786680989.db2.gz PHWWUMGVGWSNES-WDEREUQCSA-N 1 2 325.369 -2.167 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143191 786680985 /nfs/dbraw/zinc/68/09/85/786680985.db2.gz PHWWUMGVGWSNES-WDEREUQCSA-N 1 2 325.369 -2.167 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147518 792409755 /nfs/dbraw/zinc/40/97/55/792409755.db2.gz PQIIYMSKGDGXFQ-KBPBESRZSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147518 792409749 /nfs/dbraw/zinc/40/97/49/792409749.db2.gz PQIIYMSKGDGXFQ-KBPBESRZSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147519 792409456 /nfs/dbraw/zinc/40/94/56/792409456.db2.gz PQIIYMSKGDGXFQ-KGLIPLIRSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147519 792409451 /nfs/dbraw/zinc/40/94/51/792409451.db2.gz PQIIYMSKGDGXFQ-KGLIPLIRSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147520 792409881 /nfs/dbraw/zinc/40/98/81/792409881.db2.gz PQIIYMSKGDGXFQ-UONOGXRCSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147520 792409875 /nfs/dbraw/zinc/40/98/75/792409875.db2.gz PQIIYMSKGDGXFQ-UONOGXRCSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147521 792409058 /nfs/dbraw/zinc/40/90/58/792409058.db2.gz PQIIYMSKGDGXFQ-ZIAGYGMSSA-N 1 2 348.407 -1.952 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147521 792409050 /nfs/dbraw/zinc/40/90/50/792409050.db2.gz PQIIYMSKGDGXFQ-ZIAGYGMSSA-N 1 2 348.407 -1.952 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100147691 792409561 /nfs/dbraw/zinc/40/95/61/792409561.db2.gz USGMDUFBKJFZLZ-CHWSQXEVSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100147691 792409556 /nfs/dbraw/zinc/40/95/56/792409556.db2.gz USGMDUFBKJFZLZ-CHWSQXEVSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100147692 792410106 /nfs/dbraw/zinc/41/01/06/792410106.db2.gz USGMDUFBKJFZLZ-OLZOCXBDSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100147692 792410102 /nfs/dbraw/zinc/41/01/02/792410102.db2.gz USGMDUFBKJFZLZ-OLZOCXBDSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100147693 792410356 /nfs/dbraw/zinc/41/03/56/792410356.db2.gz USGMDUFBKJFZLZ-QWHCGFSZSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)nn1 ZINC001100147693 792410354 /nfs/dbraw/zinc/41/03/54/792410354.db2.gz USGMDUFBKJFZLZ-QWHCGFSZSA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100147694 792411425 /nfs/dbraw/zinc/41/14/25/792411425.db2.gz USGMDUFBKJFZLZ-STQMWFEESA-N 1 2 349.395 -2.061 20 30 EAEDLO Cn1cc(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)nn1 ZINC001100147694 792411414 /nfs/dbraw/zinc/41/14/14/792411414.db2.gz USGMDUFBKJFZLZ-STQMWFEESA-N 1 2 349.395 -2.061 20 30 EAEDLO C#CCNC(=O)CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101207893 792484112 /nfs/dbraw/zinc/48/41/12/792484112.db2.gz XDLLSGDDDUOSLG-WBMJQRKESA-N 1 2 345.407 -1.370 20 30 EAEDLO C#CCNC(=O)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101207893 792484110 /nfs/dbraw/zinc/48/41/10/792484110.db2.gz XDLLSGDDDUOSLG-WBMJQRKESA-N 1 2 345.407 -1.370 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783335 792511659 /nfs/dbraw/zinc/51/16/59/792511659.db2.gz QUTKFWDAMZAENS-VXGBXAGGSA-N 1 2 329.422 -1.536 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783335 792511649 /nfs/dbraw/zinc/51/16/49/792511649.db2.gz QUTKFWDAMZAENS-VXGBXAGGSA-N 1 2 329.422 -1.536 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784941 792511104 /nfs/dbraw/zinc/51/11/04/792511104.db2.gz SIFTXMBARWPPME-FRRDWIJNSA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784941 792511097 /nfs/dbraw/zinc/51/10/97/792511097.db2.gz SIFTXMBARWPPME-FRRDWIJNSA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784942 792511005 /nfs/dbraw/zinc/51/10/05/792511005.db2.gz SIFTXMBARWPPME-JHJVBQTASA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784942 792511000 /nfs/dbraw/zinc/51/10/00/792511000.db2.gz SIFTXMBARWPPME-JHJVBQTASA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101887317 792515380 /nfs/dbraw/zinc/51/53/80/792515380.db2.gz FXJZQWJKSOEMGF-VXGBXAGGSA-N 1 2 333.396 -1.466 20 30 EAEDLO C#CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101887317 792515377 /nfs/dbraw/zinc/51/53/77/792515377.db2.gz FXJZQWJKSOEMGF-VXGBXAGGSA-N 1 2 333.396 -1.466 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995805 792521549 /nfs/dbraw/zinc/52/15/49/792521549.db2.gz LFANIKKSEIOSAT-VXGBXAGGSA-N 1 2 341.433 -1.536 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 ZINC001101995805 792521543 /nfs/dbraw/zinc/52/15/43/792521543.db2.gz LFANIKKSEIOSAT-VXGBXAGGSA-N 1 2 341.433 -1.536 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC001102092457 792528208 /nfs/dbraw/zinc/52/82/08/792528208.db2.gz VUJJECYRLULMHO-FRRDWIJNSA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC001102092457 792528201 /nfs/dbraw/zinc/52/82/01/792528201.db2.gz VUJJECYRLULMHO-FRRDWIJNSA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC001102092458 792527627 /nfs/dbraw/zinc/52/76/27/792527627.db2.gz VUJJECYRLULMHO-JHJVBQTASA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC001102092458 792527618 /nfs/dbraw/zinc/52/76/18/792527618.db2.gz VUJJECYRLULMHO-JHJVBQTASA-N 1 2 343.449 -1.147 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H](C)C1 ZINC001102094413 792527082 /nfs/dbraw/zinc/52/70/82/792527082.db2.gz LUYDVQLFVRBSQP-CHWSQXEVSA-N 1 2 343.449 -1.145 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H](C)C1 ZINC001102094413 792527078 /nfs/dbraw/zinc/52/70/78/792527078.db2.gz LUYDVQLFVRBSQP-CHWSQXEVSA-N 1 2 343.449 -1.145 20 30 EAEDLO CN(CC[NH+]1CCN(c2nccnc2C#N)CC1)C(=O)CNC(N)=O ZINC001102411665 792539197 /nfs/dbraw/zinc/53/91/97/792539197.db2.gz HMXXETRADXRELL-UHFFFAOYSA-N 1 2 346.395 -1.403 20 30 EAEDLO CN(CC[NH+]1CCN(c2ccnc(C#N)n2)CC1)C(=O)CNC(N)=O ZINC001102411835 792540094 /nfs/dbraw/zinc/54/00/94/792540094.db2.gz OLZDIFLHXJBYGZ-UHFFFAOYSA-N 1 2 346.395 -1.403 20 30 EAEDLO CN(CC[NH+]1CCN(c2ccc(C#N)nn2)CC1)C(=O)CNC(N)=O ZINC001102411852 792538633 /nfs/dbraw/zinc/53/86/33/792538633.db2.gz OVRWDOOCHOWLIV-UHFFFAOYSA-N 1 2 346.395 -1.403 20 30 EAEDLO CN(CC[NH+]1CCN(c2cncc(C#N)n2)CC1)C(=O)CNC(N)=O ZINC001102412051 792539713 /nfs/dbraw/zinc/53/97/13/792539713.db2.gz WPDKGLXROYQKLC-UHFFFAOYSA-N 1 2 346.395 -1.403 20 30 EAEDLO CN(CC[NH+]1CCN(c2cnc(C#N)cn2)CC1)C(=O)CNC(N)=O ZINC001102412060 792538595 /nfs/dbraw/zinc/53/85/95/792538595.db2.gz WTNBFDDONZPKOR-UHFFFAOYSA-N 1 2 346.395 -1.403 20 30 EAEDLO CN(CC[NH+]1CCN(c2nccnc2C#N)CC1)C(=O)CC(N)=O ZINC001102416117 792538745 /nfs/dbraw/zinc/53/87/45/792538745.db2.gz FTGNURCYUFRMTG-UHFFFAOYSA-N 1 2 331.380 -1.196 20 30 EAEDLO CN(CC[NH+]1CCN(c2ccc(C#N)nn2)CC1)C(=O)CC(N)=O ZINC001102416281 792540270 /nfs/dbraw/zinc/54/02/70/792540270.db2.gz NRRAFWXVWNOLLQ-UHFFFAOYSA-N 1 2 331.380 -1.196 20 30 EAEDLO CN(CC[NH+]1CCN(c2ccnc(C#N)n2)CC1)C(=O)CC(N)=O ZINC001102416331 792540215 /nfs/dbraw/zinc/54/02/15/792540215.db2.gz PHLZQMGKMBCANL-UHFFFAOYSA-N 1 2 331.380 -1.196 20 30 EAEDLO CN(CC[NH+]1CCN(c2cnc(C#N)cn2)CC1)C(=O)CC(N)=O ZINC001102416335 792539539 /nfs/dbraw/zinc/53/95/39/792539539.db2.gz PHZIBBVXHZGVPC-UHFFFAOYSA-N 1 2 331.380 -1.196 20 30 EAEDLO CN(CC[NH+]1CCN(c2cncc(C#N)n2)CC1)C(=O)CC(N)=O ZINC001102416356 792540285 /nfs/dbraw/zinc/54/02/85/792540285.db2.gz QTVBZTBVQXYMSW-UHFFFAOYSA-N 1 2 331.380 -1.196 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H](C)C1 ZINC001102599618 792554099 /nfs/dbraw/zinc/55/40/99/792554099.db2.gz OEANUTLYUNJTND-CHWSQXEVSA-N 1 2 343.449 -1.145 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H](C)C1 ZINC001102599618 792554092 /nfs/dbraw/zinc/55/40/92/792554092.db2.gz OEANUTLYUNJTND-CHWSQXEVSA-N 1 2 343.449 -1.145 20 30 EAEDLO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001102732463 792555443 /nfs/dbraw/zinc/55/54/43/792555443.db2.gz RCKQABJUXILNTD-VXGBXAGGSA-N 1 2 344.437 -1.255 20 30 EAEDLO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001102732463 792555437 /nfs/dbraw/zinc/55/54/37/792555437.db2.gz RCKQABJUXILNTD-VXGBXAGGSA-N 1 2 344.437 -1.255 20 30 EAEDLO C#CCNC(=O)CC(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102891508 792557476 /nfs/dbraw/zinc/55/74/76/792557476.db2.gz YPSQGJBFVVOVAF-CHWSQXEVSA-N 1 2 347.423 -1.076 20 30 EAEDLO C#CCNC(=O)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102891508 792557472 /nfs/dbraw/zinc/55/74/72/792557472.db2.gz YPSQGJBFVVOVAF-CHWSQXEVSA-N 1 2 347.423 -1.076 20 30 EAEDLO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104097090 792574683 /nfs/dbraw/zinc/57/46/83/792574683.db2.gz ARRBPZLYFYPDMM-CHWSQXEVSA-N 1 2 347.423 -1.076 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)COC)C2)nn1 ZINC001105120185 785299622 /nfs/dbraw/zinc/29/96/22/785299622.db2.gz UPGXOPOUHNVVOZ-LLVKDONJSA-N 1 2 334.380 -1.465 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)COC)C2)nn1 ZINC001105120186 785299949 /nfs/dbraw/zinc/29/99/49/785299949.db2.gz UPGXOPOUHNVVOZ-NSHDSACASA-N 1 2 334.380 -1.465 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CCOC)C2)nn1 ZINC001105125282 785300507 /nfs/dbraw/zinc/30/05/07/785300507.db2.gz IIDPQIKESDQWDO-UHFFFAOYSA-N 1 2 334.380 -1.463 20 30 EAEDLO COCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105125832 785302791 /nfs/dbraw/zinc/30/27/91/785302791.db2.gz ZTGVRPVKTDWXGB-UHFFFAOYSA-N 1 2 335.368 -1.573 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(F)F)C2)nn1 ZINC001105127935 785300198 /nfs/dbraw/zinc/30/01/98/785300198.db2.gz LBNKCLUFLWWKPS-UHFFFAOYSA-N 1 2 326.307 -1.235 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(F)F)C2)nn1 ZINC001105128017 785299974 /nfs/dbraw/zinc/29/99/74/785299974.db2.gz PDKVRTWNRBTDJD-UHFFFAOYSA-N 1 2 327.295 -1.344 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CCOC)C2)nn1 ZINC001105130459 785302757 /nfs/dbraw/zinc/30/27/57/785302757.db2.gz NCVAYJCCIMGHCG-GFCCVEGCSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CCOC)C2)nn1 ZINC001105130461 785301567 /nfs/dbraw/zinc/30/15/67/785301567.db2.gz NCVAYJCCIMGHCG-LBPRGKRZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C=CCNC(=O)NC(=O)C[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105133230 785300924 /nfs/dbraw/zinc/30/09/24/785300924.db2.gz WVBYRJNFKXOAEQ-UHFFFAOYSA-N 1 2 335.368 -1.217 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105139272 785302489 /nfs/dbraw/zinc/30/24/89/785302489.db2.gz BJIZABWLCTWJMM-UHFFFAOYSA-N 1 2 334.380 -1.463 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105139314 785301081 /nfs/dbraw/zinc/30/10/81/785301081.db2.gz DNIYIPCDIVDTSF-UHFFFAOYSA-N 1 2 349.395 -1.811 20 30 EAEDLO CC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105139803 785302805 /nfs/dbraw/zinc/30/28/05/785302805.db2.gz NZRKQVAIQBISJR-UHFFFAOYSA-N 1 2 348.367 -2.473 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105140273 785301137 /nfs/dbraw/zinc/30/11/37/785301137.db2.gz WOQJYJHYLUWHKB-UHFFFAOYSA-N 1 2 347.379 -2.364 20 30 EAEDLO N#CCSCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105171756 785303710 /nfs/dbraw/zinc/30/37/10/785303710.db2.gz RIOXRRWQQWNZBX-GFCCVEGCSA-N 1 2 349.420 -1.104 20 30 EAEDLO N#CCSCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105171757 785303552 /nfs/dbraw/zinc/30/35/52/785303552.db2.gz RIOXRRWQQWNZBX-LBPRGKRZSA-N 1 2 349.420 -1.104 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]c3)C2)nn1 ZINC001105172064 785303871 /nfs/dbraw/zinc/30/38/71/785303871.db2.gz YTAFDQRBCAVOKU-UHFFFAOYSA-N 1 2 342.363 -1.463 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OC)C2)nn1 ZINC001105176398 785304128 /nfs/dbraw/zinc/30/41/28/785304128.db2.gz JSFPEHYIVIWQNF-NEPJUHHUSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OC)C2)nn1 ZINC001105176399 785304108 /nfs/dbraw/zinc/30/41/08/785304108.db2.gz JSFPEHYIVIWQNF-NWDGAFQWSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OC)C2)nn1 ZINC001105176400 785304033 /nfs/dbraw/zinc/30/40/33/785304033.db2.gz JSFPEHYIVIWQNF-RYUDHWBXSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OC)C2)nn1 ZINC001105176401 785304148 /nfs/dbraw/zinc/30/41/48/785304148.db2.gz JSFPEHYIVIWQNF-VXGBXAGGSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)COCCC)C2)nn1 ZINC001105183588 785304429 /nfs/dbraw/zinc/30/44/29/785304429.db2.gz VDCFTNDUZMTPJC-UHFFFAOYSA-N 1 2 348.407 -1.073 20 30 EAEDLO CCCOCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105183613 785304386 /nfs/dbraw/zinc/30/43/86/785304386.db2.gz WDNQXXUBGIHRKW-UHFFFAOYSA-N 1 2 349.395 -1.183 20 30 EAEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001105183645 785304364 /nfs/dbraw/zinc/30/43/64/785304364.db2.gz XQHVQDDEAJHBJM-UHFFFAOYSA-N 1 2 335.368 -1.088 20 30 EAEDLO C=CCOCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105192569 785304884 /nfs/dbraw/zinc/30/48/84/785304884.db2.gz UTXPHKRAFSULFA-UHFFFAOYSA-N 1 2 347.379 -1.407 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001105215633 785305791 /nfs/dbraw/zinc/30/57/91/785305791.db2.gz FARBVYKBHRMDKE-UHFFFAOYSA-N 1 2 330.352 -1.228 20 30 EAEDLO N#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)[nH]1 ZINC001105215965 785306570 /nfs/dbraw/zinc/30/65/70/785306570.db2.gz MBUMGLYRXLHLCM-UHFFFAOYSA-N 1 2 328.336 -1.250 20 30 EAEDLO N#Cc1cc(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)c[nH]1 ZINC001105217811 785307216 /nfs/dbraw/zinc/30/72/16/785307216.db2.gz MBYMQBGUDIMFDL-UHFFFAOYSA-N 1 2 328.336 -1.250 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 ZINC001105217878 785307557 /nfs/dbraw/zinc/30/75/57/785307557.db2.gz PHISOFOLVIPNTQ-UHFFFAOYSA-N 1 2 349.395 -1.811 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105218001 785306904 /nfs/dbraw/zinc/30/69/04/785306904.db2.gz QWWWIKDJVLLUMY-UHFFFAOYSA-N 1 2 333.352 -2.624 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105218100 785306430 /nfs/dbraw/zinc/30/64/30/785306430.db2.gz XKCSDLXAWNZJMR-UHFFFAOYSA-N 1 2 347.379 -2.364 20 30 EAEDLO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105219467 785306753 /nfs/dbraw/zinc/30/67/53/785306753.db2.gz ALBVSKCTRQPKHS-UHFFFAOYSA-N 1 2 348.367 -2.473 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105219489 785307261 /nfs/dbraw/zinc/30/72/61/785307261.db2.gz BKCRJEADWBHMCD-JTQLQIEISA-N 1 2 347.379 -2.236 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105219490 785307577 /nfs/dbraw/zinc/30/75/77/785307577.db2.gz BKCRJEADWBHMCD-SNVBAGLBSA-N 1 2 347.379 -2.236 20 30 EAEDLO CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105219519 785306730 /nfs/dbraw/zinc/30/67/30/785306730.db2.gz CXXQSYFTLYLOCO-UHFFFAOYSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105219592 785307425 /nfs/dbraw/zinc/30/74/25/785307425.db2.gz HCHHRLKMICSKCC-UHFFFAOYSA-N 1 2 328.376 -1.086 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 ZINC001105221525 785308698 /nfs/dbraw/zinc/30/86/98/785308698.db2.gz MJONKNVCHHPYDV-UHFFFAOYSA-N 1 2 347.379 -2.364 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(N)=O)C2)nn1 ZINC001105221545 785309860 /nfs/dbraw/zinc/30/98/60/785309860.db2.gz NFSZNNUXQKEINH-NSHDSACASA-N 1 2 349.395 -1.542 20 30 EAEDLO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105221557 785308548 /nfs/dbraw/zinc/30/85/48/785308548.db2.gz NUXRMWFVWKTSHN-UHFFFAOYSA-N 1 2 334.380 -1.463 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105223631 785307998 /nfs/dbraw/zinc/30/79/98/785307998.db2.gz BKBQRMIUTZEUPK-BMIGLBTASA-N 1 2 336.396 -1.048 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105223632 785308748 /nfs/dbraw/zinc/30/87/48/785308748.db2.gz BKBQRMIUTZEUPK-BONVTDFDSA-N 1 2 336.396 -1.048 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105223633 785308432 /nfs/dbraw/zinc/30/84/32/785308432.db2.gz BKBQRMIUTZEUPK-MEBBXXQBSA-N 1 2 336.396 -1.048 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105223634 785308663 /nfs/dbraw/zinc/30/86/63/785308663.db2.gz BKBQRMIUTZEUPK-ZUZCIYMTSA-N 1 2 336.396 -1.048 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC(C)(C)O)C2)nn1 ZINC001105223935 785308344 /nfs/dbraw/zinc/30/83/44/785308344.db2.gz OWAAFLYJXUBUSN-UHFFFAOYSA-N 1 2 348.407 -1.339 20 30 EAEDLO CC(C)(O)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105224058 785309188 /nfs/dbraw/zinc/30/91/88/785309188.db2.gz VUOXFMVRFFCJBE-UHFFFAOYSA-N 1 2 349.395 -1.448 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 ZINC001105225241 785310863 /nfs/dbraw/zinc/31/08/63/785310863.db2.gz NIOYHDHCZPHSBN-UHFFFAOYSA-N 1 2 344.379 -1.157 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001105225291 785310092 /nfs/dbraw/zinc/31/00/92/785310092.db2.gz PHCLJKWCXIAWHB-CYBMUJFWSA-N 1 2 348.363 -1.491 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001105225292 785310047 /nfs/dbraw/zinc/31/00/47/785310047.db2.gz PHCLJKWCXIAWHB-ZDUSSCGKSA-N 1 2 348.363 -1.491 20 30 EAEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001105225556 785311335 /nfs/dbraw/zinc/31/13/35/785311335.db2.gz WOMCISIFYROMAB-UHFFFAOYSA-N 1 2 347.379 -1.251 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105227211 785310779 /nfs/dbraw/zinc/31/07/79/785310779.db2.gz BEANBBAQHIVXCJ-HNNXBMFYSA-N 1 2 336.396 -1.176 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105227212 785311495 /nfs/dbraw/zinc/31/14/95/785311495.db2.gz BEANBBAQHIVXCJ-OAHLLOKOSA-N 1 2 336.396 -1.176 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](O)C(C)C)C2)nn1 ZINC001105227220 785311535 /nfs/dbraw/zinc/31/15/35/785311535.db2.gz BJWSOSAPOZOLNL-OAHLLOKOSA-N 1 2 348.407 -1.483 20 30 EAEDLO CC(C)[C@@H](O)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001105227484 785310452 /nfs/dbraw/zinc/31/04/52/785310452.db2.gz MEBLOIGXOQNNKC-CQSZACIVSA-N 1 2 349.395 -1.592 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105227605 785311133 /nfs/dbraw/zinc/31/11/33/785311133.db2.gz QOBJDXQKIFZPST-BBRMVZONSA-N 1 2 348.407 -1.033 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105227606 785311456 /nfs/dbraw/zinc/31/14/56/785311456.db2.gz QOBJDXQKIFZPST-CJNGLKHVSA-N 1 2 348.407 -1.033 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105227607 785311179 /nfs/dbraw/zinc/31/11/79/785311179.db2.gz QOBJDXQKIFZPST-CZUORRHYSA-N 1 2 348.407 -1.033 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105227608 785311101 /nfs/dbraw/zinc/31/11/01/785311101.db2.gz QOBJDXQKIFZPST-XJKSGUPXSA-N 1 2 348.407 -1.033 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001105227649 785311708 /nfs/dbraw/zinc/31/17/08/785311708.db2.gz RWPOVHLPMMHBGV-UHFFFAOYSA-N 1 2 344.379 -1.157 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001105230525 785310408 /nfs/dbraw/zinc/31/04/08/785310408.db2.gz KVVVWYWFYBSSLD-UHFFFAOYSA-N 1 2 344.379 -1.157 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3ncc[nH]3)C2)nn1 ZINC001105232973 785311438 /nfs/dbraw/zinc/31/14/38/785311438.db2.gz BKPDNNYLDHOOAH-UHFFFAOYSA-N 1 2 343.351 -1.572 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3ncc[nH]3)C2)nn1 ZINC001105233168 785313024 /nfs/dbraw/zinc/31/30/24/785313024.db2.gz LZSCNIGPQZKNEK-UHFFFAOYSA-N 1 2 342.363 -1.463 20 30 EAEDLO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(N)=O)nn2)C1 ZINC001105233188 785312649 /nfs/dbraw/zinc/31/26/49/785312649.db2.gz NAFXUWUVAFUHDY-UHFFFAOYSA-N 1 2 347.379 -1.395 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105233192 785313332 /nfs/dbraw/zinc/31/33/32/785313332.db2.gz NBINMWIUPQDHIY-UHFFFAOYSA-N 1 2 341.375 -1.196 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105233203 785313078 /nfs/dbraw/zinc/31/30/78/785313078.db2.gz NNZNCWVCUCHSLM-UHFFFAOYSA-N 1 2 340.387 -1.086 20 30 EAEDLO NC(=O)NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105233288 785312142 /nfs/dbraw/zinc/31/21/42/785312142.db2.gz RMEVHWMDGAEFTC-UHFFFAOYSA-N 1 2 345.363 -1.641 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105240192 785312804 /nfs/dbraw/zinc/31/28/04/785312804.db2.gz CJARGVQRTNGMBU-GFCCVEGCSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105240193 785313322 /nfs/dbraw/zinc/31/33/22/785313322.db2.gz CJARGVQRTNGMBU-LBPRGKRZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105240256 785312168 /nfs/dbraw/zinc/31/21/68/785312168.db2.gz FWFATZWWBHLACO-LLVKDONJSA-N 1 2 334.380 -1.465 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105240257 785312186 /nfs/dbraw/zinc/31/21/86/785312186.db2.gz FWFATZWWBHLACO-NSHDSACASA-N 1 2 334.380 -1.465 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CCOC)nn3)C2)nn1 ZINC001105240380 785313310 /nfs/dbraw/zinc/31/33/10/785313310.db2.gz KZYDYTQTKFBQRV-UHFFFAOYSA-N 1 2 344.379 -1.064 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105240385 785312821 /nfs/dbraw/zinc/31/28/21/785312821.db2.gz LEQMTFNDIIDUBQ-GFCCVEGCSA-N 1 2 348.407 -1.123 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105240386 785313411 /nfs/dbraw/zinc/31/34/11/785313411.db2.gz LEQMTFNDIIDUBQ-LBPRGKRZSA-N 1 2 348.407 -1.123 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105240398 785313534 /nfs/dbraw/zinc/31/35/34/785313534.db2.gz LQSBEYADVGKCRY-NEPJUHHUSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105240399 785313347 /nfs/dbraw/zinc/31/33/47/785313347.db2.gz LQSBEYADVGKCRY-NWDGAFQWSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105240400 785312593 /nfs/dbraw/zinc/31/25/93/785312593.db2.gz LQSBEYADVGKCRY-RYUDHWBXSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105240401 785313278 /nfs/dbraw/zinc/31/32/78/785313278.db2.gz LQSBEYADVGKCRY-VXGBXAGGSA-N 1 2 348.407 -1.076 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105240404 785313444 /nfs/dbraw/zinc/31/34/44/785313444.db2.gz LRWFPPUBQPCUIY-BXUZGUMPSA-N 1 2 346.391 -1.322 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105240405 785315311 /nfs/dbraw/zinc/31/53/11/785315311.db2.gz LRWFPPUBQPCUIY-FZMZJTMJSA-N 1 2 346.391 -1.322 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105240406 785314360 /nfs/dbraw/zinc/31/43/60/785314360.db2.gz LRWFPPUBQPCUIY-RISCZKNCSA-N 1 2 346.391 -1.322 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105240407 785315494 /nfs/dbraw/zinc/31/54/94/785315494.db2.gz LRWFPPUBQPCUIY-SMDDNHRTSA-N 1 2 346.391 -1.322 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105240412 785315437 /nfs/dbraw/zinc/31/54/37/785315437.db2.gz LWIBVMOVWIWSHQ-UHFFFAOYSA-N 1 2 348.407 -1.121 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCS(=O)(=O)NC)C2)nn1 ZINC001105240550 785314673 /nfs/dbraw/zinc/31/46/73/785314673.db2.gz RDDPHDHQGYBICY-UHFFFAOYSA-N 1 2 340.409 -1.677 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105240574 785314905 /nfs/dbraw/zinc/31/49/05/785314905.db2.gz SBGCUGGNWLULOW-UHFFFAOYSA-N 1 2 334.380 -1.463 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105240592 785314997 /nfs/dbraw/zinc/31/49/97/785314997.db2.gz STUDSPRZBWUWOK-UHFFFAOYSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105240685 785314625 /nfs/dbraw/zinc/31/46/25/785314625.db2.gz YCWOHKHAIULOPP-GHMZBOCLSA-N 1 2 334.380 -1.337 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105240686 785315664 /nfs/dbraw/zinc/31/56/64/785315664.db2.gz YCWOHKHAIULOPP-MNOVXSKESA-N 1 2 334.380 -1.337 20 30 EAEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105240687 785314837 /nfs/dbraw/zinc/31/48/37/785314837.db2.gz YCWOHKHAIULOPP-QWRGUYRKSA-N 1 2 334.380 -1.337 20 30 EAEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105240688 785314410 /nfs/dbraw/zinc/31/44/10/785314410.db2.gz YCWOHKHAIULOPP-WDEREUQCSA-N 1 2 334.380 -1.337 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105240701 785315230 /nfs/dbraw/zinc/31/52/30/785315230.db2.gz YOJLRJFMTCOLJW-AWEZNQCLSA-N 1 2 346.391 -1.321 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105240702 785315340 /nfs/dbraw/zinc/31/53/40/785315340.db2.gz YOJLRJFMTCOLJW-CQSZACIVSA-N 1 2 346.391 -1.321 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105240708 785315211 /nfs/dbraw/zinc/31/52/11/785315211.db2.gz YUAYQMQQNYQOBR-LLVKDONJSA-N 1 2 334.380 -1.335 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105240709 785314705 /nfs/dbraw/zinc/31/47/05/785314705.db2.gz YUAYQMQQNYQOBR-NSHDSACASA-N 1 2 334.380 -1.335 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ncnn3)C2)nn1 ZINC001105240716 785313516 /nfs/dbraw/zinc/31/35/16/785313516.db2.gz YVXUSGXHVIOTOW-UHFFFAOYSA-N 1 2 345.367 -1.913 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105240721 785313402 /nfs/dbraw/zinc/31/34/02/785313402.db2.gz ZAFVKRASGOONNN-GFCCVEGCSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105240722 785312293 /nfs/dbraw/zinc/31/22/93/785312293.db2.gz ZAFVKRASGOONNN-LBPRGKRZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cnc(C(N)=O)n3)C2)nn1 ZINC001105243724 785315592 /nfs/dbraw/zinc/31/55/92/785315592.db2.gz HYOSDTBIWUGLNJ-UHFFFAOYSA-N 1 2 343.351 -2.225 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(=O)COC)C2)nn1 ZINC001105246556 785314506 /nfs/dbraw/zinc/31/45/06/785314506.db2.gz BOAPGVPXVCMPOI-LLVKDONJSA-N 1 2 334.380 -1.465 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(=O)COC)C2)nn1 ZINC001105246557 785313937 /nfs/dbraw/zinc/31/39/37/785313937.db2.gz BOAPGVPXVCMPOI-NSHDSACASA-N 1 2 334.380 -1.465 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 ZINC001105246996 785314592 /nfs/dbraw/zinc/31/45/92/785314592.db2.gz KQTYNAWWROQAPE-UHFFFAOYSA-N 1 2 344.379 -1.308 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(=O)COC)C2)nn1 ZINC001105247244 785313867 /nfs/dbraw/zinc/31/38/67/785313867.db2.gz WIXHOWVMJMTKSV-GFCCVEGCSA-N 1 2 348.407 -1.075 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(=O)COC)C2)nn1 ZINC001105247245 785315034 /nfs/dbraw/zinc/31/50/34/785315034.db2.gz WIXHOWVMJMTKSV-LBPRGKRZSA-N 1 2 348.407 -1.075 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001105249181 785316966 /nfs/dbraw/zinc/31/69/66/785316966.db2.gz NGRFXSKIKPWJME-UHFFFAOYSA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN(C)S(C)(=O)=O)C2)nn1 ZINC001105253708 785315952 /nfs/dbraw/zinc/31/59/52/785315952.db2.gz ARTJPCZVYBXPMX-UHFFFAOYSA-N 1 2 340.409 -1.724 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(=O)COC)C2)nn1 ZINC001105253709 785316893 /nfs/dbraw/zinc/31/68/93/785316893.db2.gz ATAUPWRWMIVCFS-UHFFFAOYSA-N 1 2 334.380 -1.511 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(=O)COC)C2)nn1 ZINC001105253767 785316228 /nfs/dbraw/zinc/31/62/28/785316228.db2.gz CJVADASHMLINNF-UHFFFAOYSA-N 1 2 348.407 -1.121 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCNS(C)(=O)=O)C2)nn1 ZINC001105253781 785316457 /nfs/dbraw/zinc/31/64/57/785316457.db2.gz DNGYWJZAKSPYME-UHFFFAOYSA-N 1 2 340.409 -1.677 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)COC)C2)nn1 ZINC001105253805 785316396 /nfs/dbraw/zinc/31/63/96/785316396.db2.gz FQUOKEKYKFESKI-UHFFFAOYSA-N 1 2 334.380 -1.463 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)COC)C2)nn1 ZINC001105253841 785317609 /nfs/dbraw/zinc/31/76/09/785317609.db2.gz HILROUNXLXEUKX-UHFFFAOYSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CNS(=O)(=O)CC)C2)nn1 ZINC001105253955 785316596 /nfs/dbraw/zinc/31/65/96/785316596.db2.gz LNIBUOMZPFLDFO-UHFFFAOYSA-N 1 2 340.409 -1.677 20 30 EAEDLO CNC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105256377 785318198 /nfs/dbraw/zinc/31/81/98/785318198.db2.gz ANSPOLNLGUIEMC-UHFFFAOYSA-N 1 2 349.395 -1.670 20 30 EAEDLO 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EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCS(C)(=O)=O)C2)nn1 ZINC001105271107 785322240 /nfs/dbraw/zinc/32/22/40/785322240.db2.gz WNUGTSVIKFAQCA-UHFFFAOYSA-N 1 2 325.394 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)CNC(C)=O)C2)nn1 ZINC001105273055 785323163 /nfs/dbraw/zinc/32/31/63/785323163.db2.gz XRHCCYQXHGWOEN-UHFFFAOYSA-N 1 2 347.379 -2.364 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001105275222 785323335 /nfs/dbraw/zinc/32/33/35/785323335.db2.gz HJJCOXABTAZHNA-UHFFFAOYSA-N 1 2 326.307 -1.235 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CS(=O)(=O)C3)C2)nn1 ZINC001105275247 785323803 /nfs/dbraw/zinc/32/38/03/785323803.db2.gz IFBVJAYJFZFEAM-UHFFFAOYSA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCN(C)C(=O)C3)C2)nn1 ZINC001105275264 785322283 /nfs/dbraw/zinc/32/22/83/785322283.db2.gz JBBNLAWRABLXNM-UHFFFAOYSA-N 1 2 345.407 -1.842 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001105275290 785322330 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N#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001105276697 785324404 /nfs/dbraw/zinc/32/44/04/785324404.db2.gz RBGGUMPYRVAFDS-UHFFFAOYSA-N 1 2 344.339 -2.177 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)nn1 ZINC001105278437 785325143 /nfs/dbraw/zinc/32/51/43/785325143.db2.gz CZWJETVIEHILTD-UHFFFAOYSA-N 1 2 343.347 -1.653 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)nn1 ZINC001105280857 785326688 /nfs/dbraw/zinc/32/66/88/785326688.db2.gz GZEHWEOZYIQNIL-LLVKDONJSA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)nn1 ZINC001105280858 785327833 /nfs/dbraw/zinc/32/78/33/785327833.db2.gz GZEHWEOZYIQNIL-NSHDSACASA-N 1 2 337.405 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCN3C(=O)CCC3=O)C2)nn1 ZINC001105281128 785326013 /nfs/dbraw/zinc/32/60/13/785326013.db2.gz VYBGDQDONJBKIT-UHFFFAOYSA-N 1 2 344.375 -1.077 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)cn3)C2)nn1 ZINC001105288347 785326397 /nfs/dbraw/zinc/32/63/97/785326397.db2.gz LCPLYOMIOCGEPZ-UHFFFAOYSA-N 1 2 327.348 -1.208 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCn3ncn(C)c3=O)C2)nn1 ZINC001105290158 785327141 /nfs/dbraw/zinc/32/71/41/785327141.db2.gz NKOBZFCHPZJGFA-UHFFFAOYSA-N 1 2 344.379 -1.630 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnco3)C2)nn1 ZINC001105292363 785329635 /nfs/dbraw/zinc/32/96/35/785329635.db2.gz LZHUVCDJIJMMQV-UHFFFAOYSA-N 1 2 344.335 -1.307 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CNS(=O)(=O)NC)C2)nn1 ZINC001105292406 785328433 /nfs/dbraw/zinc/32/84/33/785328433.db2.gz NRUWCWFIIDIVMF-UHFFFAOYSA-N 1 2 341.397 -2.562 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnco3)C2)nn1 ZINC001105292450 785329380 /nfs/dbraw/zinc/32/93/80/785329380.db2.gz PNSMEBDRRBMTCG-UHFFFAOYSA-N 1 2 343.347 -1.198 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001105296914 785329319 /nfs/dbraw/zinc/32/93/19/785329319.db2.gz CGXWUCQVKJBTIH-AWEZNQCLSA-N 1 2 346.391 -1.463 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001105296916 785328342 /nfs/dbraw/zinc/32/83/42/785328342.db2.gz CGXWUCQVKJBTIH-CQSZACIVSA-N 1 2 346.391 -1.463 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001105297700 785330549 /nfs/dbraw/zinc/33/05/49/785330549.db2.gz SXHYQBRBGNYQNW-CYBMUJFWSA-N 1 2 331.380 -1.202 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001105297701 785330349 /nfs/dbraw/zinc/33/03/49/785330349.db2.gz SXHYQBRBGNYQNW-ZDUSSCGKSA-N 1 2 331.380 -1.202 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001105299267 785330763 /nfs/dbraw/zinc/33/07/63/785330763.db2.gz OJPWXWHKMRBNEO-UHFFFAOYSA-N 1 2 345.407 -1.794 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001105299471 785331649 /nfs/dbraw/zinc/33/16/49/785331649.db2.gz ZZHKNOAZSJPATH-UHFFFAOYSA-N 1 2 331.380 -2.184 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 ZINC001105301907 785333215 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COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001105315515 785336387 /nfs/dbraw/zinc/33/63/87/785336387.db2.gz QYNLJTNXGJHUFO-UHFFFAOYSA-N 1 2 346.391 -1.334 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315618 785337229 /nfs/dbraw/zinc/33/72/29/785337229.db2.gz WVBDLZZGAXYXSW-SECBINFHSA-N 1 2 333.352 -2.626 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315619 785336517 /nfs/dbraw/zinc/33/65/17/785336517.db2.gz WVBDLZZGAXYXSW-VIFPVBQESA-N 1 2 333.352 -2.626 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105319111 785337158 /nfs/dbraw/zinc/33/71/58/785337158.db2.gz ZKLUSZKMYRSDDA-SECBINFHSA-N 1 2 335.368 -2.073 20 30 EAEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105319112 785336713 /nfs/dbraw/zinc/33/67/13/785336713.db2.gz ZKLUSZKMYRSDDA-VIFPVBQESA-N 1 2 335.368 -2.073 20 30 EAEDLO C#Cc1cncc(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)c1 ZINC001105325004 785340110 /nfs/dbraw/zinc/34/01/10/785340110.db2.gz BSBMKNYLBIMSKO-UHFFFAOYSA-N 1 2 339.359 -1.074 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001105325382 785340593 /nfs/dbraw/zinc/34/05/93/785340593.db2.gz OQRSREJPGRZDCT-QWHCGFSZSA-N 1 2 332.364 -1.583 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001105327277 785340178 /nfs/dbraw/zinc/34/01/78/785340178.db2.gz ZEBRVSFREDFDFG-UONOGXRCSA-N 1 2 346.391 -1.193 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001105328403 785341767 /nfs/dbraw/zinc/34/17/67/785341767.db2.gz CRIKFUJOTGEHQH-KGLIPLIRSA-N 1 2 346.391 -1.478 20 30 EAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105328434 785339976 /nfs/dbraw/zinc/33/99/76/785339976.db2.gz DRQPFYQUELUKAZ-OLZOCXBDSA-N 1 2 334.380 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NS(C)(=O)=O)C2)nn1 ZINC001105334665 785348507 /nfs/dbraw/zinc/34/85/07/785348507.db2.gz KWUJXCWQQWXYTK-JTQLQIEISA-N 1 2 340.409 -1.678 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)nn1 ZINC001105334668 785348277 /nfs/dbraw/zinc/34/82/77/785348277.db2.gz KWUJXCWQQWXYTK-SNVBAGLBSA-N 1 2 340.409 -1.678 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001105336265 785350131 /nfs/dbraw/zinc/35/01/31/785350131.db2.gz BCGPYPFQZRCLHS-LBPRGKRZSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001105336303 785349347 /nfs/dbraw/zinc/34/93/47/785349347.db2.gz CDOQFJGPZJLVPW-NSHDSACASA-N 1 2 331.336 -2.018 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C2)nn1 ZINC001105339601 785362390 /nfs/dbraw/zinc/36/23/90/785362390.db2.gz ULZZLTCNUVRKGP-ZDUSSCGKSA-N 1 2 347.379 -2.236 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001105340572 785370332 /nfs/dbraw/zinc/37/03/32/785370332.db2.gz FZRKGEVHBUIEDW-UHFFFAOYSA-N 1 2 344.375 -1.173 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001105340667 785371024 /nfs/dbraw/zinc/37/10/24/785371024.db2.gz JXYIPDYVPGWWRY-UHFFFAOYSA-N 1 2 330.348 -1.563 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001105340718 785370726 /nfs/dbraw/zinc/37/07/26/785370726.db2.gz MVQCPHBSTLDGCC-UHFFFAOYSA-N 1 2 344.379 -1.157 20 30 EAEDLO C=CCn1cc(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)nn1 ZINC001105340725 785370975 /nfs/dbraw/zinc/37/09/75/785370975.db2.gz NHJYGUVSFRKVPU-UHFFFAOYSA-N 1 2 345.367 -1.672 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 ZINC001105340968 785372148 /nfs/dbraw/zinc/37/21/48/785372148.db2.gz ZXXNTBKTNPIQPS-UHFFFAOYSA-N 1 2 348.407 -1.121 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001105343906 785375988 /nfs/dbraw/zinc/37/59/88/785375988.db2.gz BUACEVRQRLBUTC-UHFFFAOYSA-N 1 2 345.363 -1.674 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnon3)C2)nn1 ZINC001105343959 785375441 /nfs/dbraw/zinc/37/54/41/785375441.db2.gz FHEHYRRGGKHAOS-UHFFFAOYSA-N 1 2 346.351 -1.250 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnon3)C2)nn1 ZINC001105343981 785374984 /nfs/dbraw/zinc/37/49/84/785374984.db2.gz GKCHAXPEDONWNT-UHFFFAOYSA-N 1 2 345.323 -1.912 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001105344032 785375034 /nfs/dbraw/zinc/37/50/34/785375034.db2.gz IOHCJDHJZFTVIT-UHFFFAOYSA-N 1 2 331.336 -2.064 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3cnon3)C2)nn1 ZINC001105344054 785375313 /nfs/dbraw/zinc/37/53/13/785375313.db2.gz JRXJHHXWGIPMRZ-UHFFFAOYSA-N 1 2 344.335 -1.803 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cnnn3)C2)nn1 ZINC001105347473 785383928 /nfs/dbraw/zinc/38/39/28/785383928.db2.gz FMYIQRMFPDMCFN-UHFFFAOYSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCc3nncn3C)C2)nn1 ZINC001105356227 785389346 /nfs/dbraw/zinc/38/93/46/785389346.db2.gz DHJWEDUBTFWHPO-UHFFFAOYSA-N 1 2 344.379 -1.271 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCc3ncnn3C)C2)nn1 ZINC001105356465 785389301 /nfs/dbraw/zinc/38/93/01/785389301.db2.gz SPIYMBSPNQONFH-UHFFFAOYSA-N 1 2 344.379 -1.271 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCC(=O)NC3=O)C2)nn1 ZINC001105357797 785392847 /nfs/dbraw/zinc/39/28/47/785392847.db2.gz JWBQDINXSNRHIB-UHFFFAOYSA-N 1 2 345.363 -1.674 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001105358163 785393119 /nfs/dbraw/zinc/39/31/19/785393119.db2.gz SBKDKWGXJUCRJB-UHFFFAOYSA-N 1 2 344.379 -1.238 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3CC(=O)N(C)C3=O)C2)nn1 ZINC001105361040 785426087 /nfs/dbraw/zinc/42/60/87/785426087.db2.gz OJPKJQOKZHWSNS-UHFFFAOYSA-N 1 2 345.363 -1.722 20 30 EAEDLO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)cn1 ZINC001105362474 785430351 /nfs/dbraw/zinc/43/03/51/785430351.db2.gz AGMKDKMIHHOEBF-UHFFFAOYSA-N 1 2 339.359 -1.074 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 ZINC001105362740 785430558 /nfs/dbraw/zinc/43/05/58/785430558.db2.gz KFEDYFYWQBWQCM-AWEZNQCLSA-N 1 2 346.391 -1.321 20 30 EAEDLO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)nc1 ZINC001105363408 785432428 /nfs/dbraw/zinc/43/24/28/785432428.db2.gz ZQTSJRWVVHRIPV-UHFFFAOYSA-N 1 2 339.359 -1.074 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nc(C)ccc3=O)C2)nn1 ZINC001105365396 785433172 /nfs/dbraw/zinc/43/31/72/785433172.db2.gz PQZXEAWTNCFWOD-UHFFFAOYSA-N 1 2 341.375 -1.050 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nc(C)n(C)c3=O)C2)nn1 ZINC001105367794 785433731 /nfs/dbraw/zinc/43/37/31/785433731.db2.gz ASZDAKWNQIHORR-UHFFFAOYSA-N 1 2 344.379 -1.712 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)nn1 ZINC001105368011 785433628 /nfs/dbraw/zinc/43/36/28/785433628.db2.gz MNOSYXNBTYKBFE-HNNXBMFYSA-N 1 2 346.391 -1.369 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)nn1 ZINC001105368012 785433968 /nfs/dbraw/zinc/43/39/68/785433968.db2.gz MNOSYXNBTYKBFE-OAHLLOKOSA-N 1 2 346.391 -1.369 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CS(=O)(=O)N(C)C)C2)nn1 ZINC001105368070 785433671 /nfs/dbraw/zinc/43/36/71/785433671.db2.gz OVIPGMHCYPQRDM-UHFFFAOYSA-N 1 2 340.409 -1.724 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(=O)n(C)n3)C2)nn1 ZINC001105369641 785446849 /nfs/dbraw/zinc/44/68/49/785446849.db2.gz HYTRLCXBWRPXEW-UHFFFAOYSA-N 1 2 327.348 -1.208 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)nn1 ZINC001105370971 785450082 /nfs/dbraw/zinc/45/00/82/785450082.db2.gz DIRWYNSSYBUWDX-GFCCVEGCSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001105370972 785450253 /nfs/dbraw/zinc/45/02/53/785450253.db2.gz DIRWYNSSYBUWDX-LBPRGKRZSA-N 1 2 345.363 -1.628 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001105371154 785451176 /nfs/dbraw/zinc/45/11/76/785451176.db2.gz HMIQSEYTKKAWRF-UHFFFAOYSA-N 1 2 330.348 -1.467 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(N)=O)C2)nn1 ZINC001105371197 785451686 /nfs/dbraw/zinc/45/16/86/785451686.db2.gz ILYYWPZCJIKCQZ-UHFFFAOYSA-N 1 2 349.395 -1.541 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001105371426 785452605 /nfs/dbraw/zinc/45/26/05/785452605.db2.gz NSXBOYWNSMHAKX-UHFFFAOYSA-N 1 2 345.363 -1.674 20 30 EAEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 ZINC001105371428 785452984 /nfs/dbraw/zinc/45/29/84/785452984.db2.gz NVBKFROVKOXURI-UHFFFAOYSA-N 1 2 344.379 -1.308 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001105371508 785453248 /nfs/dbraw/zinc/45/32/48/785453248.db2.gz PZPKOFTUDPDILV-UHFFFAOYSA-N 1 2 344.375 -1.077 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001105371661 785454284 /nfs/dbraw/zinc/45/42/84/785454284.db2.gz UYWHOXXOWRTQLM-UHFFFAOYSA-N 1 2 331.336 -2.064 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN3C(=O)CN(C)C3=O)C2)nn1 ZINC001105371701 785455130 /nfs/dbraw/zinc/45/51/30/785455130.db2.gz WXHWXSBQRPHMKZ-UHFFFAOYSA-N 1 2 345.363 -1.722 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccnc3C(N)=O)C2)nn1 ZINC001105371740 785455453 /nfs/dbraw/zinc/45/54/53/785455453.db2.gz YQSBKPINTJVODS-UHFFFAOYSA-N 1 2 340.347 -1.413 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)nn1 ZINC001105372525 785457082 /nfs/dbraw/zinc/45/70/82/785457082.db2.gz LEJNRZSLRLHLQF-UHFFFAOYSA-N 1 2 343.347 -1.503 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001105374047 785456920 /nfs/dbraw/zinc/45/69/20/785456920.db2.gz DYWSPTUASUIZIJ-UHFFFAOYSA-N 1 2 340.409 -1.677 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001105374056 785456599 /nfs/dbraw/zinc/45/65/99/785456599.db2.gz FIYHZRKELCVFOI-GFCCVEGCSA-N 1 2 338.393 -1.924 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)nn1 ZINC001105374057 785457263 /nfs/dbraw/zinc/45/72/63/785457263.db2.gz FIYHZRKELCVFOI-LBPRGKRZSA-N 1 2 338.393 -1.924 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)nn1 ZINC001105374173 785458986 /nfs/dbraw/zinc/45/89/86/785458986.db2.gz MJYFXVGNLIBMCQ-HNNXBMFYSA-N 1 2 346.391 -1.369 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COCCN3C(C)=O)C2)nn1 ZINC001105374174 785459148 /nfs/dbraw/zinc/45/91/48/785459148.db2.gz MJYFXVGNLIBMCQ-OAHLLOKOSA-N 1 2 346.391 -1.369 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CS(=O)(=O)NC)C2)nn1 ZINC001105374369 785458651 /nfs/dbraw/zinc/45/86/51/785458651.db2.gz XEVVVPUWXXLVOC-UHFFFAOYSA-N 1 2 326.382 -2.067 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCS3(=O)=O)C2)nn1 ZINC001105375776 785459282 /nfs/dbraw/zinc/45/92/82/785459282.db2.gz OHHPRIFOFFIAER-CYBMUJFWSA-N 1 2 337.405 -1.039 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCS3(=O)=O)C2)nn1 ZINC001105375777 785458932 /nfs/dbraw/zinc/45/89/32/785458932.db2.gz OHHPRIFOFFIAER-ZDUSSCGKSA-N 1 2 337.405 -1.039 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CS(=O)(=O)CC)C2)nn1 ZINC001105376706 785471317 /nfs/dbraw/zinc/47/13/17/785471317.db2.gz CWVPCWHIJNOXRP-UHFFFAOYSA-N 1 2 325.394 -1.181 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC(N)=O)nn3)C2)nn1 ZINC001105376861 785474584 /nfs/dbraw/zinc/47/45/84/785474584.db2.gz HGSAELAECYCPLU-UHFFFAOYSA-N 1 2 343.351 -2.225 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)n3C)C2)nn1 ZINC001105378381 785557567 /nfs/dbraw/zinc/55/75/67/785557567.db2.gz CHVDRZDHSUBLSQ-UHFFFAOYSA-N 1 2 329.364 -1.265 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)nn1 ZINC001105383059 785607939 /nfs/dbraw/zinc/60/79/39/785607939.db2.gz RUYWYFFQABRPRM-ZDUSSCGKSA-N 1 2 331.380 -1.073 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001105384684 785629953 /nfs/dbraw/zinc/62/99/53/785629953.db2.gz MLMVLCYXFYZYGM-JTQLQIEISA-N 1 2 330.348 -1.563 20 30 EAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001105384686 785630268 /nfs/dbraw/zinc/63/02/68/785630268.db2.gz MLMVLCYXFYZYGM-SNVBAGLBSA-N 1 2 330.348 -1.563 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001105384939 785629503 /nfs/dbraw/zinc/62/95/03/785629503.db2.gz QHSVNRWNTSXYSQ-LLVKDONJSA-N 1 2 344.375 -1.173 20 30 EAEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001105384940 785629755 /nfs/dbraw/zinc/62/97/55/785629755.db2.gz QHSVNRWNTSXYSQ-NSHDSACASA-N 1 2 344.375 -1.173 20 30 EAEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CNS(=O)(=O)NC)CC2)C1 ZINC001105717385 785851131 /nfs/dbraw/zinc/85/11/31/785851131.db2.gz MNNDWOBBEJKVEU-UHFFFAOYSA-N 1 2 346.453 -1.082 20 30 EAEDLO C#CCNC(=O)CC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105791932 785864727 /nfs/dbraw/zinc/86/47/27/785864727.db2.gz HPNSERCVDRZWDA-JTQLQIEISA-N 1 2 345.363 -1.608 20 30 EAEDLO C#CCNC(=O)CC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105791933 785864482 /nfs/dbraw/zinc/86/44/82/785864482.db2.gz HPNSERCVDRZWDA-SNVBAGLBSA-N 1 2 345.363 -1.608 20 30 EAEDLO C#CCNC(=O)CC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105792346 785865521 /nfs/dbraw/zinc/86/55/21/785865521.db2.gz NLASCOWWCSYXRY-LLVKDONJSA-N 1 2 349.395 -1.725 20 30 EAEDLO C#CCNC(=O)CC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105792350 785865422 /nfs/dbraw/zinc/86/54/22/785865422.db2.gz NLASCOWWCSYXRY-NSHDSACASA-N 1 2 349.395 -1.725 20 30 EAEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CNC(N)=O)nn2)C1 ZINC001107124002 786046345 /nfs/dbraw/zinc/04/63/45/786046345.db2.gz VFBPXHWDDTZVRO-UHFFFAOYSA-N 1 2 337.384 -1.378 20 30 EAEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 ZINC001107126268 786046903 /nfs/dbraw/zinc/04/69/03/786046903.db2.gz LSKUDQHSFGJELS-UHFFFAOYSA-N 1 2 347.383 -1.360 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CS(C)(=O)=O)nn2)C1 ZINC001107138760 786047371 /nfs/dbraw/zinc/04/73/71/786047371.db2.gz JMHSVKXKAJUIEL-UHFFFAOYSA-N 1 2 325.394 -1.181 20 30 EAEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@H](O)COC)C2)nn1 ZINC001107146321 786047893 /nfs/dbraw/zinc/04/78/93/786047893.db2.gz FPCRQKHFTMGIES-AWEZNQCLSA-N 1 2 339.396 -1.039 20 30 EAEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@@H](O)COC)C2)nn1 ZINC001107146322 786047685 /nfs/dbraw/zinc/04/76/85/786047685.db2.gz FPCRQKHFTMGIES-CQSZACIVSA-N 1 2 339.396 -1.039 20 30 EAEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CCOCCO)C2)nn1 ZINC001107147148 786047971 /nfs/dbraw/zinc/04/79/71/786047971.db2.gz UYDIDWQGOOPITQ-UHFFFAOYSA-N 1 2 339.396 -1.038 20 30 EAEDLO C#CCNC(=O)CC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107160694 786048998 /nfs/dbraw/zinc/04/89/98/786048998.db2.gz DZNCVPRSAVJANI-UHFFFAOYSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCNC(=O)CC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107160710 786048647 /nfs/dbraw/zinc/04/86/47/786048647.db2.gz FZBYQVPPOMTSTB-UHFFFAOYSA-N 1 2 334.380 -1.463 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC(=O)NCC#C)nn2)C1 ZINC001107161134 786049818 /nfs/dbraw/zinc/04/98/18/786049818.db2.gz ZJFMISSIVBBSLR-UHFFFAOYSA-N 1 2 328.376 -1.086 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN3CN=NC3=O)nn2)C1 ZINC001107162753 786049694 /nfs/dbraw/zinc/04/96/94/786049694.db2.gz RJANJCMRESAOPX-UHFFFAOYSA-N 1 2 330.352 -1.228 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCS(=O)(=O)NC)nn2)C1 ZINC001107171407 786050940 /nfs/dbraw/zinc/05/09/40/786050940.db2.gz XHCBJTAOFKEXFU-UHFFFAOYSA-N 1 2 342.425 -1.124 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cnc(C(N)=O)n3)nn2)C1 ZINC001107172903 786053543 /nfs/dbraw/zinc/05/35/43/786053543.db2.gz QTSLJICDKDFCRD-UHFFFAOYSA-N 1 2 345.367 -1.672 20 30 EAEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 ZINC001107172907 786053460 /nfs/dbraw/zinc/05/34/60/786053460.db2.gz RBQJRNLTARUYJJ-UHFFFAOYSA-N 1 2 347.383 -1.360 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)COC)nn2)C1 ZINC001107174434 786053591 /nfs/dbraw/zinc/05/35/91/786053591.db2.gz QPIQMMIBIDBBDR-GFCCVEGCSA-N 1 2 348.407 -1.075 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)COC)nn2)C1 ZINC001107174435 786053080 /nfs/dbraw/zinc/05/30/80/786053080.db2.gz QPIQMMIBIDBBDR-LBPRGKRZSA-N 1 2 348.407 -1.075 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN(C)S(C)(=O)=O)nn2)C1 ZINC001107176578 786052669 /nfs/dbraw/zinc/05/26/69/786052669.db2.gz CBWNTQRNNQTBHO-UHFFFAOYSA-N 1 2 342.425 -1.172 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)COC)nn2)C1 ZINC001107176621 786052623 /nfs/dbraw/zinc/05/26/23/786052623.db2.gz DSZQJAULSYCBEM-UHFFFAOYSA-N 1 2 348.407 -1.121 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNS(=O)(=O)CC)nn2)C1 ZINC001107176633 786051917 /nfs/dbraw/zinc/05/19/17/786051917.db2.gz FLOMWIWXIUOHOW-UHFFFAOYSA-N 1 2 342.425 -1.124 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNS(C)(=O)=O)nn2)C1 ZINC001107176725 786052345 /nfs/dbraw/zinc/05/23/45/786052345.db2.gz KCFBUZFUHDAAHM-UHFFFAOYSA-N 1 2 342.425 -1.124 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)COC)nn2)C1 ZINC001107177897 786054522 /nfs/dbraw/zinc/05/45/22/786054522.db2.gz BQIIIVIGEKSOQD-UHFFFAOYSA-N 1 2 348.407 -1.073 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CCOCC3=O)nn2)C1 ZINC001107178183 786054607 /nfs/dbraw/zinc/05/46/07/786054607.db2.gz LKERQINKWXZYOR-UHFFFAOYSA-N 1 2 334.380 -1.204 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN3CCOCC3=O)nn2)C1 ZINC001107178382 786054376 /nfs/dbraw/zinc/05/43/76/786054376.db2.gz VHDGPLGEZZLVEI-UHFFFAOYSA-N 1 2 346.391 -1.367 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)nn2)C1 ZINC001107180275 786054237 /nfs/dbraw/zinc/05/42/37/786054237.db2.gz KOBNOWJFROXIDG-NSHDSACASA-N 1 2 333.352 -1.465 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)nn2)C1 ZINC001107180296 786054047 /nfs/dbraw/zinc/05/40/47/786054047.db2.gz LTAAOXXMQNRHIM-LBPRGKRZSA-N 1 2 345.363 -1.628 20 30 EAEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)nn2)C1 ZINC001107180362 786053682 /nfs/dbraw/zinc/05/36/82/786053682.db2.gz OLDQEMHYCGLETP-LBPRGKRZSA-N 1 2 347.379 -1.075 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CCN(C)C(=O)C3)nn2)C1 ZINC001107183334 786055732 /nfs/dbraw/zinc/05/57/32/786055732.db2.gz LNIWZWWECKLFMS-UHFFFAOYSA-N 1 2 347.423 -1.289 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)CNC(C)=O)nn2)C1 ZINC001107183667 786056075 /nfs/dbraw/zinc/05/60/75/786056075.db2.gz QRVYPHFIKQYTJF-UHFFFAOYSA-N 1 2 349.395 -1.811 20 30 EAEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3ncn(C)c3=O)nn2)C1 ZINC001107184041 786055693 /nfs/dbraw/zinc/05/56/93/786055693.db2.gz APTLWKKILCRLRZ-UHFFFAOYSA-N 1 2 346.395 -1.078 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3ncn(C)c3=O)nn2)C1 ZINC001107184109 786056795 /nfs/dbraw/zinc/05/67/95/786056795.db2.gz DAHCJHWLWYFCLE-UHFFFAOYSA-N 1 2 344.379 -1.630 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3ccc(=O)[nH]c3=O)nn2)C1 ZINC001107184139 786055825 /nfs/dbraw/zinc/05/58/25/786055825.db2.gz FKDJLBHTYFNRLV-UHFFFAOYSA-N 1 2 345.363 -1.101 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3ncn(C)c3=O)nn2)C1 ZINC001107184251 786056230 /nfs/dbraw/zinc/05/62/30/786056230.db2.gz FUIXRWIPQGWCPU-UHFFFAOYSA-N 1 2 332.368 -1.468 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNS(=O)(=O)NC)nn2)C1 ZINC001107187338 786056686 /nfs/dbraw/zinc/05/66/86/786056686.db2.gz YWXCIKCJLLFSRK-UHFFFAOYSA-N 1 2 343.413 -2.009 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCn3ncn(C)c3=O)nn2)C1 ZINC001107189782 786057161 /nfs/dbraw/zinc/05/71/61/786057161.db2.gz HXROZBNGXOAOLG-UHFFFAOYSA-N 1 2 346.395 -1.078 20 30 EAEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CN3CCNC(=O)C3)nn2)C1 ZINC001107190935 786057550 /nfs/dbraw/zinc/05/75/50/786057550.db2.gz IMXSOSGFFHAAHH-UHFFFAOYSA-N 1 2 347.423 -1.241 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN3CCNC(=O)C3)nn2)C1 ZINC001107190947 786057581 /nfs/dbraw/zinc/05/75/81/786057581.db2.gz JFPZNHUVGLJSEC-UHFFFAOYSA-N 1 2 345.407 -1.794 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CCNC(=O)C3)nn2)C1 ZINC001107190974 786057940 /nfs/dbraw/zinc/05/79/40/786057940.db2.gz KSOZIEYCCBVFQV-UHFFFAOYSA-N 1 2 333.396 -1.631 20 30 EAEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001107192645 786059080 /nfs/dbraw/zinc/05/90/80/786059080.db2.gz STMYJLWLYRZZQC-UHFFFAOYSA-N 1 2 347.383 -1.209 20 30 EAEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001107199819 786058729 /nfs/dbraw/zinc/05/87/29/786058729.db2.gz PJYQGTAAHYYWQB-CYBMUJFWSA-N 1 2 349.395 -1.365 20 30 EAEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001107199820 786058600 /nfs/dbraw/zinc/05/86/00/786058600.db2.gz PJYQGTAAHYYWQB-ZDUSSCGKSA-N 1 2 349.395 -1.365 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NS(C)(=O)=O)nn2)C1 ZINC001107213933 786061740 /nfs/dbraw/zinc/06/17/40/786061740.db2.gz LEPSTXHXAOVOAZ-JTQLQIEISA-N 1 2 342.425 -1.125 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NS(C)(=O)=O)nn2)C1 ZINC001107213935 786061559 /nfs/dbraw/zinc/06/15/59/786061559.db2.gz LEPSTXHXAOVOAZ-SNVBAGLBSA-N 1 2 342.425 -1.125 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](NC(C)=O)C(N)=O)nn2)C1 ZINC001107215048 786063962 /nfs/dbraw/zinc/06/39/62/786063962.db2.gz AOIZEKVHZBGMFI-ZDUSSCGKSA-N 1 2 349.395 -1.683 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN3CC(=O)NC3=O)nn2)C1 ZINC001107221151 786064844 /nfs/dbraw/zinc/06/48/44/786064844.db2.gz IZNYVLQXIHGFHY-UHFFFAOYSA-N 1 2 345.363 -1.674 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CC(=O)NC3=O)nn2)C1 ZINC001107221382 786065433 /nfs/dbraw/zinc/06/54/33/786065433.db2.gz WQMNYVCEOSZNTD-UHFFFAOYSA-N 1 2 333.352 -1.511 20 30 EAEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CN3CC(=O)NC3=O)nn2)C1 ZINC001107221409 786064805 /nfs/dbraw/zinc/06/48/05/786064805.db2.gz XVBUFNFQFZZPST-UHFFFAOYSA-N 1 2 347.379 -1.121 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCn3cnnn3)nn2)C1 ZINC001107221526 786064516 /nfs/dbraw/zinc/06/45/16/786064516.db2.gz AZYHOCSJEYNMPC-UHFFFAOYSA-N 1 2 329.368 -1.149 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CCC(=O)NC3=O)nn2)C1 ZINC001107225834 786064744 /nfs/dbraw/zinc/06/47/44/786064744.db2.gz HCOWYCVBUGEDPX-UHFFFAOYSA-N 1 2 347.379 -1.121 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CC(=O)N(C)C3=O)nn2)C1 ZINC001107227734 786066266 /nfs/dbraw/zinc/06/62/66/786066266.db2.gz QAKZHOYOHHNOLM-UHFFFAOYSA-N 1 2 347.379 -1.169 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CS(=O)(=O)N(C)C)nn2)C1 ZINC001107231381 786065848 /nfs/dbraw/zinc/06/58/48/786065848.db2.gz IKFXBBKVEZVJNU-UHFFFAOYSA-N 1 2 342.425 -1.172 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3nc(C)n(C)c3=O)nn2)C1 ZINC001107234199 786066581 /nfs/dbraw/zinc/06/65/81/786066581.db2.gz WICHXOITIGDSGT-UHFFFAOYSA-N 1 2 346.395 -1.159 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN3C(=O)CCC3=O)nn2)C1 ZINC001107234240 786065947 /nfs/dbraw/zinc/06/59/47/786065947.db2.gz YCDRRDRSVBZLEW-UHFFFAOYSA-N 1 2 344.375 -1.077 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3C(=O)CN(C)C3=O)nn2)C1 ZINC001107234408 786067297 /nfs/dbraw/zinc/06/72/97/786067297.db2.gz ACJFGFKXTRPNPK-UHFFFAOYSA-N 1 2 347.379 -1.169 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3NC(=O)NC3=O)nn2)C1 ZINC001107234466 786067392 /nfs/dbraw/zinc/06/73/92/786067392.db2.gz DCTBBCBKKUCQFC-GFCCVEGCSA-N 1 2 347.379 -1.075 20 30 EAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)nn2)C1 ZINC001107234467 786068098 /nfs/dbraw/zinc/06/80/98/786068098.db2.gz DCTBBCBKKUCQFC-LBPRGKRZSA-N 1 2 347.379 -1.075 20 30 EAEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CN3C(=O)CNC3=O)nn2)C1 ZINC001107234608 786067345 /nfs/dbraw/zinc/06/73/45/786067345.db2.gz MDOBSCUVKDGGQV-UHFFFAOYSA-N 1 2 345.363 -1.674 20 30 EAEDLO 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EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(=O)NCC(F)F)CC2=O)C1 ZINC001108553603 786544488 /nfs/dbraw/zinc/54/44/88/786544488.db2.gz QEIBYURIOZBEMJ-SECBINFHSA-N 1 2 330.335 -1.045 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(=O)NCC(F)F)CC2=O)C1 ZINC001108553604 786544930 /nfs/dbraw/zinc/54/49/30/786544930.db2.gz QEIBYURIOZBEMJ-VIFPVBQESA-N 1 2 330.335 -1.045 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CNS(=O)(=O)NC)CC2=O)C1 ZINC001108558561 786544752 /nfs/dbraw/zinc/54/47/52/786544752.db2.gz HLENLCJMHLTEEC-JTQLQIEISA-N 1 2 345.425 -2.373 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CNS(=O)(=O)NC)CC2=O)C1 ZINC001108558562 786544890 /nfs/dbraw/zinc/54/48/90/786544890.db2.gz HLENLCJMHLTEEC-SNVBAGLBSA-N 1 2 345.425 -2.373 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCn3ncn(C)c3=O)CC2=O)C1 ZINC001108559367 786547405 /nfs/dbraw/zinc/54/74/05/786547405.db2.gz USAUUERRFKXMHJ-GFCCVEGCSA-N 1 2 348.407 -1.441 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCn3ncn(C)c3=O)CC2=O)C1 ZINC001108559368 786547803 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786561116 /nfs/dbraw/zinc/56/11/16/786561116.db2.gz RFKDONNITHTXDW-GFCCVEGCSA-N 1 2 348.407 -1.081 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)COCc3nncn3C)CC2=O)C1 ZINC001108583736 786560799 /nfs/dbraw/zinc/56/07/99/786560799.db2.gz RFKDONNITHTXDW-LBPRGKRZSA-N 1 2 348.407 -1.081 20 30 EAEDLO C=CCOCC[NH+]1CC(N2C[C@H](NC(=O)Cc3nc[nH]n3)CC2=O)C1 ZINC001108585186 786562065 /nfs/dbraw/zinc/56/20/65/786562065.db2.gz PUYUCZHOCCCBOC-GFCCVEGCSA-N 1 2 348.407 -1.049 20 30 EAEDLO C=CCOCC[NH+]1CC(N2C[C@@H](NC(=O)Cc3nc[nH]n3)CC2=O)C1 ZINC001108585187 786562412 /nfs/dbraw/zinc/56/24/12/786562412.db2.gz PUYUCZHOCCCBOC-LBPRGKRZSA-N 1 2 348.407 -1.049 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC2=O)C1 ZINC001108589076 786565619 /nfs/dbraw/zinc/56/56/19/786565619.db2.gz MAEQSNXQRQOQOA-LLVKDONJSA-N 1 2 344.437 -1.535 20 30 EAEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC2=O)C1 ZINC001108589077 786565231 /nfs/dbraw/zinc/56/52/31/786565231.db2.gz MAEQSNXQRQOQOA-NSHDSACASA-N 1 2 344.437 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C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114864725 791702067 /nfs/dbraw/zinc/70/20/67/791702067.db2.gz IYINUEPCEZIUFS-MUYACECFSA-N 1 2 330.392 -1.078 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114864725 791702058 /nfs/dbraw/zinc/70/20/58/791702058.db2.gz IYINUEPCEZIUFS-MUYACECFSA-N 1 2 330.392 -1.078 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114864726 791701640 /nfs/dbraw/zinc/70/16/40/791701640.db2.gz IYINUEPCEZIUFS-PBOSXPJTSA-N 1 2 330.392 -1.078 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114864726 791701633 /nfs/dbraw/zinc/70/16/33/791701633.db2.gz IYINUEPCEZIUFS-PBOSXPJTSA-N 1 2 330.392 -1.078 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114864726 791701625 /nfs/dbraw/zinc/70/16/25/791701625.db2.gz IYINUEPCEZIUFS-PBOSXPJTSA-N 1 2 330.392 -1.078 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114864726 791701616 /nfs/dbraw/zinc/70/16/16/791701616.db2.gz IYINUEPCEZIUFS-PBOSXPJTSA-N 1 2 330.392 -1.078 20 30 EAEDLO COc1cncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)n1 ZINC001114928820 791714618 /nfs/dbraw/zinc/71/46/18/791714618.db2.gz DERMOBWIXCFLMK-MSRIBSCDSA-N 1 2 330.348 -1.215 20 30 EAEDLO COc1cncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)n1 ZINC001114928820 791714612 /nfs/dbraw/zinc/71/46/12/791714612.db2.gz DERMOBWIXCFLMK-MSRIBSCDSA-N 1 2 330.348 -1.215 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)nn1 ZINC001114942837 785128004 /nfs/dbraw/zinc/12/80/04/785128004.db2.gz PNTOXYUJOUQBNV-YABSGUDNSA-N 1 2 329.364 -1.236 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)nn1 ZINC001114942837 785127998 /nfs/dbraw/zinc/12/79/98/785127998.db2.gz PNTOXYUJOUQBNV-YABSGUDNSA-N 1 2 329.364 -1.236 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114989485 792600814 /nfs/dbraw/zinc/60/08/14/792600814.db2.gz RTFZQZLQFQFQJD-UKKRHICBSA-N 1 2 347.379 -1.135 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114989485 792600807 /nfs/dbraw/zinc/60/08/07/792600807.db2.gz RTFZQZLQFQFQJD-UKKRHICBSA-N 1 2 347.379 -1.135 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114989485 792600796 /nfs/dbraw/zinc/60/07/96/792600796.db2.gz RTFZQZLQFQFQJD-UKKRHICBSA-N 1 2 347.379 -1.135 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114989485 792600785 /nfs/dbraw/zinc/60/07/85/792600785.db2.gz RTFZQZLQFQFQJD-UKKRHICBSA-N 1 2 347.379 -1.135 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114989486 792601089 /nfs/dbraw/zinc/60/10/89/792601089.db2.gz RTFZQZLQFQFQJD-ZNSHCXBVSA-N 1 2 347.379 -1.135 20 30 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C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1COC(=O)N1)CC2 ZINC001127991193 786122312 /nfs/dbraw/zinc/12/23/12/786122312.db2.gz QTKNODUEDJWWJK-GHMZBOCLSA-N 1 2 332.364 -1.070 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1COC(=O)N1)CC2 ZINC001127991194 786122718 /nfs/dbraw/zinc/12/27/18/786122718.db2.gz QTKNODUEDJWWJK-MNOVXSKESA-N 1 2 332.364 -1.070 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1COC(=O)N1)CC2 ZINC001127991195 786122423 /nfs/dbraw/zinc/12/24/23/786122423.db2.gz QTKNODUEDJWWJK-QWRGUYRKSA-N 1 2 332.364 -1.070 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1COC(=O)N1)CC2 ZINC001127991196 786122523 /nfs/dbraw/zinc/12/25/23/786122523.db2.gz QTKNODUEDJWWJK-WDEREUQCSA-N 1 2 332.364 -1.070 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)Cn1ncnn1)CC2 ZINC001127996676 786122175 /nfs/dbraw/zinc/12/21/75/786122175.db2.gz CVQZLNAAYVEAOA-LLVKDONJSA-N 1 2 329.368 -1.491 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)Cn1ncnn1)CC2 ZINC001127996677 786122183 /nfs/dbraw/zinc/12/21/83/786122183.db2.gz CVQZLNAAYVEAOA-NSHDSACASA-N 1 2 329.368 -1.491 20 30 EAEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)Cn1ncnn1)CC2 ZINC001127997212 786122323 /nfs/dbraw/zinc/12/23/23/786122323.db2.gz JWCYYDLNVYWDDZ-GFCCVEGCSA-N 1 2 343.395 -1.101 20 30 EAEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)Cn1ncnn1)CC2 ZINC001127997213 786122650 /nfs/dbraw/zinc/12/26/50/786122650.db2.gz JWCYYDLNVYWDDZ-LBPRGKRZSA-N 1 2 343.395 -1.101 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CNC(=O)NC)CC2 ZINC001128005865 786126052 /nfs/dbraw/zinc/12/60/52/786126052.db2.gz MQGZQUOLMSRVOS-LLVKDONJSA-N 1 2 333.396 -1.249 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CNC(=O)NC)CC2 ZINC001128005868 786125885 /nfs/dbraw/zinc/12/58/85/786125885.db2.gz MQGZQUOLMSRVOS-NSHDSACASA-N 1 2 333.396 -1.249 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CCNC1=O)CC2 ZINC001128026650 786127976 /nfs/dbraw/zinc/12/79/76/786127976.db2.gz DDLQPSQJXIBTGX-NEPJUHHUSA-N 1 2 330.392 -1.042 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCNC1=O)CC2 ZINC001128026651 786128221 /nfs/dbraw/zinc/12/82/21/786128221.db2.gz DDLQPSQJXIBTGX-NWDGAFQWSA-N 1 2 330.392 -1.042 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCNC1=O)CC2 ZINC001128026652 786128296 /nfs/dbraw/zinc/12/82/96/786128296.db2.gz DDLQPSQJXIBTGX-RYUDHWBXSA-N 1 2 330.392 -1.042 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCNC1=O)CC2 ZINC001128026653 786127808 /nfs/dbraw/zinc/12/78/08/786127808.db2.gz DDLQPSQJXIBTGX-VXGBXAGGSA-N 1 2 330.392 -1.042 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)c1nnn(C)n1)CC2 ZINC001128028020 786128641 /nfs/dbraw/zinc/12/86/41/786128641.db2.gz WJGCCJJCNQPOKL-JTQLQIEISA-N 1 2 329.368 -1.341 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)c1nnn(C)n1)CC2 ZINC001128028021 786129009 /nfs/dbraw/zinc/12/90/09/786129009.db2.gz WJGCCJJCNQPOKL-SNVBAGLBSA-N 1 2 329.368 -1.341 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)CC2 ZINC001128028116 786129285 /nfs/dbraw/zinc/12/92/85/786129285.db2.gz YGHRATBGDDSXFA-NEPJUHHUSA-N 1 2 345.407 -1.154 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)CC2 ZINC001128028117 786129078 /nfs/dbraw/zinc/12/90/78/786129078.db2.gz YGHRATBGDDSXFA-NWDGAFQWSA-N 1 2 345.407 -1.154 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)CC2 ZINC001128028118 786129140 /nfs/dbraw/zinc/12/91/40/786129140.db2.gz YGHRATBGDDSXFA-RYUDHWBXSA-N 1 2 345.407 -1.154 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)CC2 ZINC001128028119 786128955 /nfs/dbraw/zinc/12/89/55/786128955.db2.gz YGHRATBGDDSXFA-VXGBXAGGSA-N 1 2 345.407 -1.154 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128032634 786131444 /nfs/dbraw/zinc/13/14/44/786131444.db2.gz JDXGZQWHIDXRPZ-SECBINFHSA-N 1 2 348.367 -2.686 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128032635 786131108 /nfs/dbraw/zinc/13/11/08/786131108.db2.gz JDXGZQWHIDXRPZ-VIFPVBQESA-N 1 2 348.367 -2.686 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128032793 786131132 /nfs/dbraw/zinc/13/11/32/786131132.db2.gz MEIQBZSOVPJBCJ-JTQLQIEISA-N 1 2 349.395 -2.024 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128032796 786131377 /nfs/dbraw/zinc/13/13/77/786131377.db2.gz MEIQBZSOVPJBCJ-SNVBAGLBSA-N 1 2 349.395 -2.024 20 30 EAEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001128033238 786131197 /nfs/dbraw/zinc/13/11/97/786131197.db2.gz UJIYZTWRXILRBY-NEPJUHHUSA-N 1 2 345.407 -1.107 20 30 EAEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CNC(=O)N1)CC2 ZINC001128033239 786131427 /nfs/dbraw/zinc/13/14/27/786131427.db2.gz UJIYZTWRXILRBY-NWDGAFQWSA-N 1 2 345.407 -1.107 20 30 EAEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001128033240 786131785 /nfs/dbraw/zinc/13/17/85/786131785.db2.gz UJIYZTWRXILRBY-RYUDHWBXSA-N 1 2 345.407 -1.107 20 30 EAEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CNC(=O)N1)CC2 ZINC001128033241 786131672 /nfs/dbraw/zinc/13/16/72/786131672.db2.gz UJIYZTWRXILRBY-VXGBXAGGSA-N 1 2 345.407 -1.107 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CNC(=O)N1)CC2 ZINC001128033244 786130722 /nfs/dbraw/zinc/13/07/22/786130722.db2.gz UOPWUVVCZVEGLL-GHMZBOCLSA-N 1 2 331.380 -1.497 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001128033245 786130855 /nfs/dbraw/zinc/13/08/55/786130855.db2.gz UOPWUVVCZVEGLL-MNOVXSKESA-N 1 2 331.380 -1.497 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001128033246 786130996 /nfs/dbraw/zinc/13/09/96/786130996.db2.gz UOPWUVVCZVEGLL-QWRGUYRKSA-N 1 2 331.380 -1.497 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CNC(=O)N1)CC2 ZINC001128033247 786131807 /nfs/dbraw/zinc/13/18/07/786131807.db2.gz UOPWUVVCZVEGLL-WDEREUQCSA-N 1 2 331.380 -1.497 20 30 EAEDLO COCC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128033418 786130787 /nfs/dbraw/zinc/13/07/87/786130787.db2.gz WFGIUFUFCGDCSN-LLVKDONJSA-N 1 2 334.380 -1.676 20 30 EAEDLO COCC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128033419 786131758 /nfs/dbraw/zinc/13/17/58/786131758.db2.gz WFGIUFUFCGDCSN-NSHDSACASA-N 1 2 334.380 -1.676 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128033420 786131656 /nfs/dbraw/zinc/13/16/56/786131656.db2.gz WFYZNXBVPYBPFS-JTQLQIEISA-N 1 2 347.379 -2.577 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128033421 786131471 /nfs/dbraw/zinc/13/14/71/786131471.db2.gz WFYZNXBVPYBPFS-SNVBAGLBSA-N 1 2 347.379 -2.577 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001128039152 786132884 /nfs/dbraw/zinc/13/28/84/786132884.db2.gz GQPUOFAMZIPCDI-TUAOUCFPSA-N 1 2 330.392 -1.057 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001128039153 786132397 /nfs/dbraw/zinc/13/23/97/786132397.db2.gz GQPUOFAMZIPCDI-UTUOFQBUSA-N 1 2 330.392 -1.057 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCn1cnnn1)CC2 ZINC001128066521 786136400 /nfs/dbraw/zinc/13/64/00/786136400.db2.gz PNONLVKQLRUXKH-GFCCVEGCSA-N 1 2 343.395 -1.101 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCn1cnnn1)CC2 ZINC001128066522 786136585 /nfs/dbraw/zinc/13/65/85/786136585.db2.gz PNONLVKQLRUXKH-LBPRGKRZSA-N 1 2 343.395 -1.101 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCNC(N)=O)CC2 ZINC001128067162 786135707 /nfs/dbraw/zinc/13/57/07/786135707.db2.gz VZHWOZZICKYYQI-LLVKDONJSA-N 1 2 333.396 -1.120 20 30 EAEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCNC(N)=O)CC2 ZINC001128067164 786134968 /nfs/dbraw/zinc/13/49/68/786134968.db2.gz VZHWOZZICKYYQI-NSHDSACASA-N 1 2 333.396 -1.120 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608215 786199986 /nfs/dbraw/zinc/19/99/86/786199986.db2.gz WARMZEIYQQJFBR-MCIONIFRSA-N 1 2 348.407 -1.206 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608215 786199985 /nfs/dbraw/zinc/19/99/85/786199985.db2.gz WARMZEIYQQJFBR-MCIONIFRSA-N 1 2 348.407 -1.206 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608216 786199983 /nfs/dbraw/zinc/19/99/83/786199983.db2.gz WARMZEIYQQJFBR-MJBXVCDLSA-N 1 2 348.407 -1.206 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608216 786199982 /nfs/dbraw/zinc/19/99/82/786199982.db2.gz WARMZEIYQQJFBR-MJBXVCDLSA-N 1 2 348.407 -1.206 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128633637 786204952 /nfs/dbraw/zinc/20/49/52/786204952.db2.gz RSWQCWYHVOUHRS-UPJWGTAASA-N 1 2 336.396 -1.043 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128633637 786204946 /nfs/dbraw/zinc/20/49/46/786204946.db2.gz RSWQCWYHVOUHRS-UPJWGTAASA-N 1 2 336.396 -1.043 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128633638 786204693 /nfs/dbraw/zinc/20/46/93/786204693.db2.gz RSWQCWYHVOUHRS-XQQFMLRXSA-N 1 2 336.396 -1.043 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128633638 786204688 /nfs/dbraw/zinc/20/46/88/786204688.db2.gz RSWQCWYHVOUHRS-XQQFMLRXSA-N 1 2 336.396 -1.043 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128646542 786205925 /nfs/dbraw/zinc/20/59/25/786205925.db2.gz ANZOIDXUSQCIJN-KGLIPLIRSA-N 1 2 334.380 -1.595 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128646542 786205921 /nfs/dbraw/zinc/20/59/21/786205921.db2.gz ANZOIDXUSQCIJN-KGLIPLIRSA-N 1 2 334.380 -1.595 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128652695 786207395 /nfs/dbraw/zinc/20/73/95/786207395.db2.gz PUBYKPFYNPQHGL-CFVMTHIKSA-N 1 2 348.407 -1.206 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128652695 786207389 /nfs/dbraw/zinc/20/73/89/786207389.db2.gz PUBYKPFYNPQHGL-CFVMTHIKSA-N 1 2 348.407 -1.206 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128652696 786206784 /nfs/dbraw/zinc/20/67/84/786206784.db2.gz PUBYKPFYNPQHGL-YUELXQCFSA-N 1 2 348.407 -1.206 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128652696 786206780 /nfs/dbraw/zinc/20/67/80/786206780.db2.gz PUBYKPFYNPQHGL-YUELXQCFSA-N 1 2 348.407 -1.206 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001128657022 786206977 /nfs/dbraw/zinc/20/69/77/786206977.db2.gz MXTOBEZXVBZAEW-OLZOCXBDSA-N 1 2 345.367 -2.044 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001128657022 786206976 /nfs/dbraw/zinc/20/69/76/786206976.db2.gz MXTOBEZXVBZAEW-OLZOCXBDSA-N 1 2 345.367 -2.044 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681873 786210545 /nfs/dbraw/zinc/21/05/45/786210545.db2.gz PSSAVXZXPSAACJ-NEPJUHHUSA-N 1 2 335.368 -2.062 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681873 786210543 /nfs/dbraw/zinc/21/05/43/786210543.db2.gz PSSAVXZXPSAACJ-NEPJUHHUSA-N 1 2 335.368 -2.062 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001128716418 786213939 /nfs/dbraw/zinc/21/39/39/786213939.db2.gz PNQYPRDOQQHVKE-ILXRZTDVSA-N 1 2 349.391 -1.315 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001128716418 786213938 /nfs/dbraw/zinc/21/39/38/786213938.db2.gz PNQYPRDOQQHVKE-ILXRZTDVSA-N 1 2 349.391 -1.315 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001128716419 786213964 /nfs/dbraw/zinc/21/39/64/786213964.db2.gz PNQYPRDOQQHVKE-QLFBSQMISA-N 1 2 349.391 -1.315 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001128716419 786213963 /nfs/dbraw/zinc/21/39/63/786213963.db2.gz PNQYPRDOQQHVKE-QLFBSQMISA-N 1 2 349.391 -1.315 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128729981 786214857 /nfs/dbraw/zinc/21/48/57/786214857.db2.gz ALVUKPPPQGAVRW-CABCVRRESA-N 1 2 348.407 -1.252 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128729981 786214853 /nfs/dbraw/zinc/21/48/53/786214853.db2.gz ALVUKPPPQGAVRW-CABCVRRESA-N 1 2 348.407 -1.252 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128821509 786221862 /nfs/dbraw/zinc/22/18/62/786221862.db2.gz VUWDTOHYSPJXNS-MCIONIFRSA-N 1 2 346.391 -1.452 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128821509 786221859 /nfs/dbraw/zinc/22/18/59/786221859.db2.gz VUWDTOHYSPJXNS-MCIONIFRSA-N 1 2 346.391 -1.452 20 30 EAEDLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128834401 786224624 /nfs/dbraw/zinc/22/46/24/786224624.db2.gz MIZAVYMIBLDUTP-KGLIPLIRSA-N 1 2 348.407 -1.204 20 30 EAEDLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128834401 786224622 /nfs/dbraw/zinc/22/46/22/786224622.db2.gz MIZAVYMIBLDUTP-KGLIPLIRSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870249 786228872 /nfs/dbraw/zinc/22/88/72/786228872.db2.gz PPWUOVXKFJDDHI-TUAOUCFPSA-N 1 2 347.379 -2.367 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870249 786228868 /nfs/dbraw/zinc/22/88/68/786228868.db2.gz PPWUOVXKFJDDHI-TUAOUCFPSA-N 1 2 347.379 -2.367 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870250 786228795 /nfs/dbraw/zinc/22/87/95/786228795.db2.gz PPWUOVXKFJDDHI-UTUOFQBUSA-N 1 2 347.379 -2.367 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870250 786228791 /nfs/dbraw/zinc/22/87/91/786228791.db2.gz PPWUOVXKFJDDHI-UTUOFQBUSA-N 1 2 347.379 -2.367 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870451 786228228 /nfs/dbraw/zinc/22/82/28/786228228.db2.gz SSGVTPBKYGFHHA-TUAOUCFPSA-N 1 2 349.395 -1.814 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870451 786228222 /nfs/dbraw/zinc/22/82/22/786228222.db2.gz SSGVTPBKYGFHHA-TUAOUCFPSA-N 1 2 349.395 -1.814 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870452 786228608 /nfs/dbraw/zinc/22/86/08/786228608.db2.gz SSGVTPBKYGFHHA-UTUOFQBUSA-N 1 2 349.395 -1.814 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870452 786228605 /nfs/dbraw/zinc/22/86/05/786228605.db2.gz SSGVTPBKYGFHHA-UTUOFQBUSA-N 1 2 349.395 -1.814 20 30 EAEDLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128907668 786233566 /nfs/dbraw/zinc/23/35/66/786233566.db2.gz DKJZWUXMTQJDIR-KGLIPLIRSA-N 1 2 348.407 -1.204 20 30 EAEDLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128907668 786233563 /nfs/dbraw/zinc/23/35/63/786233563.db2.gz DKJZWUXMTQJDIR-KGLIPLIRSA-N 1 2 348.407 -1.204 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128935025 786235772 /nfs/dbraw/zinc/23/57/72/786235772.db2.gz JFTAXPPWWLNPLK-XQQFMLRXSA-N 1 2 349.395 -1.674 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128935025 786235766 /nfs/dbraw/zinc/23/57/66/786235766.db2.gz JFTAXPPWWLNPLK-XQQFMLRXSA-N 1 2 349.395 -1.674 20 30 EAEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128939169 786235533 /nfs/dbraw/zinc/23/55/33/786235533.db2.gz IQTWMEOJPXIVCB-OLZOCXBDSA-N 1 2 334.380 -1.595 20 30 EAEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128939169 786235527 /nfs/dbraw/zinc/23/55/27/786235527.db2.gz IQTWMEOJPXIVCB-OLZOCXBDSA-N 1 2 334.380 -1.595 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128949525 786238842 /nfs/dbraw/zinc/23/88/42/786238842.db2.gz NPOWRCVBEGXQKH-AGIUHOORSA-N 1 2 348.363 -1.622 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128949525 786238839 /nfs/dbraw/zinc/23/88/39/786238839.db2.gz NPOWRCVBEGXQKH-AGIUHOORSA-N 1 2 348.363 -1.622 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128949526 786239021 /nfs/dbraw/zinc/23/90/21/786239021.db2.gz NPOWRCVBEGXQKH-UPJWGTAASA-N 1 2 348.363 -1.622 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128949526 786239018 /nfs/dbraw/zinc/23/90/18/786239018.db2.gz NPOWRCVBEGXQKH-UPJWGTAASA-N 1 2 348.363 -1.622 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128962724 786240772 /nfs/dbraw/zinc/24/07/72/786240772.db2.gz ZPEVZJSNFYHCBX-OLZOCXBDSA-N 1 2 333.396 -1.038 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128962724 786240768 /nfs/dbraw/zinc/24/07/68/786240768.db2.gz ZPEVZJSNFYHCBX-OLZOCXBDSA-N 1 2 333.396 -1.038 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001128976292 786240617 /nfs/dbraw/zinc/24/06/17/786240617.db2.gz NZUQAJCQILKXTR-MCIONIFRSA-N 1 2 348.407 -1.077 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001128976292 786240612 /nfs/dbraw/zinc/24/06/12/786240612.db2.gz NZUQAJCQILKXTR-MCIONIFRSA-N 1 2 348.407 -1.077 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001128976293 786241088 /nfs/dbraw/zinc/24/10/88/786241088.db2.gz NZUQAJCQILKXTR-RDBSUJKOSA-N 1 2 348.407 -1.077 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001128976293 786241086 /nfs/dbraw/zinc/24/10/86/786241086.db2.gz NZUQAJCQILKXTR-RDBSUJKOSA-N 1 2 348.407 -1.077 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128985806 786247327 /nfs/dbraw/zinc/24/73/27/786247327.db2.gz UWKARENKICDUKD-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128985806 786247324 /nfs/dbraw/zinc/24/73/24/786247324.db2.gz UWKARENKICDUKD-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001128993807 786252278 /nfs/dbraw/zinc/25/22/78/786252278.db2.gz SYGAUMULQXUHHC-OLZOCXBDSA-N 1 2 345.367 -2.044 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001128993807 786252274 /nfs/dbraw/zinc/25/22/74/786252274.db2.gz SYGAUMULQXUHHC-OLZOCXBDSA-N 1 2 345.367 -2.044 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128998899 786252693 /nfs/dbraw/zinc/25/26/93/786252693.db2.gz IXIKXTUEJBKVHJ-KGLIPLIRSA-N 1 2 348.407 -1.252 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128998899 786252687 /nfs/dbraw/zinc/25/26/87/786252687.db2.gz IXIKXTUEJBKVHJ-KGLIPLIRSA-N 1 2 348.407 -1.252 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129004844 786253491 /nfs/dbraw/zinc/25/34/91/786253491.db2.gz ZGPHHEFCCBEGKR-MCIONIFRSA-N 1 2 348.407 -1.206 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129004844 786253483 /nfs/dbraw/zinc/25/34/83/786253483.db2.gz ZGPHHEFCCBEGKR-MCIONIFRSA-N 1 2 348.407 -1.206 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129004845 786253784 /nfs/dbraw/zinc/25/37/84/786253784.db2.gz ZGPHHEFCCBEGKR-MJBXVCDLSA-N 1 2 348.407 -1.206 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1n1ccnn1 ZINC001129004845 786253775 /nfs/dbraw/zinc/25/37/75/786253775.db2.gz ZGPHHEFCCBEGKR-MJBXVCDLSA-N 1 2 348.407 -1.206 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009649 786254700 /nfs/dbraw/zinc/25/47/00/786254700.db2.gz JWSPFXMQBZNESE-MCIONIFRSA-N 1 2 348.407 -1.206 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009649 786254692 /nfs/dbraw/zinc/25/46/92/786254692.db2.gz JWSPFXMQBZNESE-MCIONIFRSA-N 1 2 348.407 -1.206 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009650 786255979 /nfs/dbraw/zinc/25/59/79/786255979.db2.gz JWSPFXMQBZNESE-MJBXVCDLSA-N 1 2 348.407 -1.206 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129009650 786255972 /nfs/dbraw/zinc/25/59/72/786255972.db2.gz JWSPFXMQBZNESE-MJBXVCDLSA-N 1 2 348.407 -1.206 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](n2ccnn2)C1 ZINC001129010038 786255579 /nfs/dbraw/zinc/25/55/79/786255579.db2.gz ZTRGUTGCEDWLOU-KGLIPLIRSA-N 1 2 344.379 -1.439 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](n2ccnn2)C1 ZINC001129010038 786255572 /nfs/dbraw/zinc/25/55/72/786255572.db2.gz ZTRGUTGCEDWLOU-KGLIPLIRSA-N 1 2 344.379 -1.439 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129029639 786254898 /nfs/dbraw/zinc/25/48/98/786254898.db2.gz GKSZXCHRAFIXHW-OLZOCXBDSA-N 1 2 334.380 -1.595 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129029639 786254893 /nfs/dbraw/zinc/25/48/93/786254893.db2.gz GKSZXCHRAFIXHW-OLZOCXBDSA-N 1 2 334.380 -1.595 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129029688 786255234 /nfs/dbraw/zinc/25/52/34/786255234.db2.gz JMILWEKXSWUNEH-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129029688 786255228 /nfs/dbraw/zinc/25/52/28/786255228.db2.gz JMILWEKXSWUNEH-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129029706 786255659 /nfs/dbraw/zinc/25/56/59/786255659.db2.gz KVLLQDXZVVZEHH-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129029706 786255653 /nfs/dbraw/zinc/25/56/53/786255653.db2.gz KVLLQDXZVVZEHH-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129029850 786254677 /nfs/dbraw/zinc/25/46/77/786254677.db2.gz MLQDJRFOLBZYOX-NEPJUHHUSA-N 1 2 340.409 -1.856 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129029850 786254668 /nfs/dbraw/zinc/25/46/68/786254668.db2.gz MLQDJRFOLBZYOX-NEPJUHHUSA-N 1 2 340.409 -1.856 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129031924 786255218 /nfs/dbraw/zinc/25/52/18/786255218.db2.gz KGHZODBCDZZPFD-KGLIPLIRSA-N 1 2 348.407 -1.252 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129031924 786255211 /nfs/dbraw/zinc/25/52/11/786255211.db2.gz KGHZODBCDZZPFD-KGLIPLIRSA-N 1 2 348.407 -1.252 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129032367 786255308 /nfs/dbraw/zinc/25/53/08/786255308.db2.gz ODKOLIMZDYGVSP-UPJWGTAASA-N 1 2 334.380 -1.596 20 30 EAEDLO 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CC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342067 786532044 /nfs/dbraw/zinc/53/20/44/786532044.db2.gz AXVZSUXTEHPJCF-OLZOCXBDSA-N 1 2 329.368 -1.280 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](n2ccnn2)C1 ZINC001129360265 786571875 /nfs/dbraw/zinc/57/18/75/786571875.db2.gz XTFTVXVZPYMOBM-KGLIPLIRSA-N 1 2 341.375 -1.100 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](n2ccnn2)C1 ZINC001129360265 786571871 /nfs/dbraw/zinc/57/18/71/786571871.db2.gz XTFTVXVZPYMOBM-KGLIPLIRSA-N 1 2 341.375 -1.100 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001129375703 786582917 /nfs/dbraw/zinc/58/29/17/786582917.db2.gz HKDQTPUPQUGYSU-OLZOCXBDSA-N 1 2 344.379 -1.402 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001129375703 786582910 /nfs/dbraw/zinc/58/29/10/786582910.db2.gz HKDQTPUPQUGYSU-OLZOCXBDSA-N 1 2 344.379 -1.402 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129376246 786585715 /nfs/dbraw/zinc/58/57/15/786585715.db2.gz UNNLQRMVOQKOLN-OLZOCXBDSA-N 1 2 344.379 -1.370 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129376246 786585707 /nfs/dbraw/zinc/58/57/07/786585707.db2.gz UNNLQRMVOQKOLN-OLZOCXBDSA-N 1 2 344.379 -1.370 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001129376393 786585911 /nfs/dbraw/zinc/58/59/11/786585911.db2.gz WFJOJOAWFOVSSO-OLZOCXBDSA-N 1 2 344.379 -1.402 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001129376393 786585901 /nfs/dbraw/zinc/58/59/01/786585901.db2.gz WFJOJOAWFOVSSO-OLZOCXBDSA-N 1 2 344.379 -1.402 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129390734 786601913 /nfs/dbraw/zinc/60/19/13/786601913.db2.gz VUWDTOHYSPJXNS-MJBXVCDLSA-N 1 2 346.391 -1.452 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129390734 786601908 /nfs/dbraw/zinc/60/19/08/786601908.db2.gz VUWDTOHYSPJXNS-MJBXVCDLSA-N 1 2 346.391 -1.452 20 30 EAEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129407419 786839665 /nfs/dbraw/zinc/83/96/65/786839665.db2.gz MPXLLUNWRODNFH-NEPJUHHUSA-N 1 2 342.425 -1.303 20 30 EAEDLO C=CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129407419 786839655 /nfs/dbraw/zinc/83/96/55/786839655.db2.gz MPXLLUNWRODNFH-NEPJUHHUSA-N 1 2 342.425 -1.303 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129422352 786840236 /nfs/dbraw/zinc/84/02/36/786840236.db2.gz PRKQEJZDMBQSPQ-KGLIPLIRSA-N 1 2 344.379 -1.439 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129422352 786840229 /nfs/dbraw/zinc/84/02/29/786840229.db2.gz PRKQEJZDMBQSPQ-KGLIPLIRSA-N 1 2 344.379 -1.439 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422468 786841393 /nfs/dbraw/zinc/84/13/93/786841393.db2.gz PYEMLRLJQXHJER-TUAOUCFPSA-N 1 2 345.363 -1.759 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422468 786841386 /nfs/dbraw/zinc/84/13/86/786841386.db2.gz PYEMLRLJQXHJER-TUAOUCFPSA-N 1 2 345.363 -1.759 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422469 786841868 /nfs/dbraw/zinc/84/18/68/786841868.db2.gz PYEMLRLJQXHJER-UTUOFQBUSA-N 1 2 345.363 -1.759 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422469 786841862 /nfs/dbraw/zinc/84/18/62/786841862.db2.gz PYEMLRLJQXHJER-UTUOFQBUSA-N 1 2 345.363 -1.759 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129427583 786840436 /nfs/dbraw/zinc/84/04/36/786840436.db2.gz DVSBUBJTBBNTEZ-OLZOCXBDSA-N 1 2 349.395 -1.672 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129427583 786840422 /nfs/dbraw/zinc/84/04/22/786840422.db2.gz DVSBUBJTBBNTEZ-OLZOCXBDSA-N 1 2 349.395 -1.672 20 30 EAEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129438696 786843951 /nfs/dbraw/zinc/84/39/51/786843951.db2.gz ZOBJRBRPZCIGOH-MNOVXSKESA-N 1 2 328.398 -1.645 20 30 EAEDLO C=CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129438696 786843936 /nfs/dbraw/zinc/84/39/36/786843936.db2.gz ZOBJRBRPZCIGOH-MNOVXSKESA-N 1 2 328.398 -1.645 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445765 786840772 /nfs/dbraw/zinc/84/07/72/786840772.db2.gz WVXVMQBDQSCLCT-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445765 786840762 /nfs/dbraw/zinc/84/07/62/786840762.db2.gz WVXVMQBDQSCLCT-NEPJUHHUSA-N 1 2 340.409 -1.808 20 30 EAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129459916 786842838 /nfs/dbraw/zinc/84/28/38/786842838.db2.gz BMYLYWSXESEEKH-NEPJUHHUSA-N 1 2 333.396 -1.040 20 30 EAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129459916 786842829 /nfs/dbraw/zinc/84/28/29/786842829.db2.gz BMYLYWSXESEEKH-NEPJUHHUSA-N 1 2 333.396 -1.040 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484956 786844697 /nfs/dbraw/zinc/84/46/97/786844697.db2.gz RASHROCJKQGIHM-KGLIPLIRSA-N 1 2 348.407 -1.075 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129484956 786844689 /nfs/dbraw/zinc/84/46/89/786844689.db2.gz RASHROCJKQGIHM-KGLIPLIRSA-N 1 2 348.407 -1.075 20 30 EAEDLO COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001130084003 786906208 /nfs/dbraw/zinc/90/62/08/786906208.db2.gz UFKKYWNWZIPYMG-OLZOCXBDSA-N 1 2 344.379 -1.370 20 30 EAEDLO C#CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(C)=O)n[nH]1 ZINC001130173617 786912996 /nfs/dbraw/zinc/91/29/96/786912996.db2.gz WCSVKYAIDFYHLP-RYUDHWBXSA-N 1 2 334.380 -1.348 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(C)=O)n[nH]1 ZINC001130177464 786913933 /nfs/dbraw/zinc/91/39/33/786913933.db2.gz BGVGTSUXPXQWLA-RYUDHWBXSA-N 1 2 334.380 -1.348 20 30 EAEDLO CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC#N)n1 ZINC001130177571 786914565 /nfs/dbraw/zinc/91/45/65/786914565.db2.gz IJVNIKSKRUDKAL-QWRGUYRKSA-N 1 2 349.395 -1.067 20 30 EAEDLO CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC#N)n1 ZINC001130177642 786913574 /nfs/dbraw/zinc/91/35/74/786913574.db2.gz MNGBQRUGULHUOZ-QWRGUYRKSA-N 1 2 335.368 -1.457 20 30 EAEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183004 786916946 /nfs/dbraw/zinc/91/69/46/786916946.db2.gz KPNXOOZGUBNSRY-QWRGUYRKSA-N 1 2 349.395 -1.425 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183081 786917173 /nfs/dbraw/zinc/91/71/73/786917173.db2.gz OSQZWGIYABQBQC-UWVGGRQHSA-N 1 2 335.368 -1.816 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2COCCO2)n[nH]1 ZINC001130184889 786915409 /nfs/dbraw/zinc/91/54/09/786915409.db2.gz LOPBHWRSEJRNQS-AVGNSLFASA-N 1 2 349.391 -1.068 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2COCCO2)n[nH]1 ZINC001130184890 786916596 /nfs/dbraw/zinc/91/65/96/786916596.db2.gz LOPBHWRSEJRNQS-RWMBFGLXSA-N 1 2 349.391 -1.068 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2cnnn2)n[nH]1 ZINC001130187774 786915231 /nfs/dbraw/zinc/91/52/31/786915231.db2.gz ISOHZKUHOVYMEQ-QWRGUYRKSA-N 1 2 345.367 -1.797 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CN(C)C(C)=O)n[nH]1 ZINC001130190935 786916229 /nfs/dbraw/zinc/91/62/29/786916229.db2.gz VMVJLPJVYKUBPA-STQMWFEESA-N 1 2 348.407 -1.006 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001130196122 786915837 /nfs/dbraw/zinc/91/58/37/786915837.db2.gz STDHZRFGGFDGTE-TUAOUCFPSA-N 1 2 346.391 -1.205 20 30 EAEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198353 786916914 /nfs/dbraw/zinc/91/69/14/786916914.db2.gz HLDHIKZQNAHFPM-QWRGUYRKSA-N 1 2 334.380 -1.218 20 30 EAEDLO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130202634 786918840 /nfs/dbraw/zinc/91/88/40/786918840.db2.gz FWMIDQUCAUUQIB-GUBZILKMSA-N 1 2 335.368 -1.472 20 30 EAEDLO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130202636 786918223 /nfs/dbraw/zinc/91/82/23/786918223.db2.gz FWMIDQUCAUUQIB-UTLUCORTSA-N 1 2 335.368 -1.472 20 30 EAEDLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130203351 786916458 /nfs/dbraw/zinc/91/64/58/786916458.db2.gz ZKRZDPLPQPSCKN-DCAQKATOSA-N 1 2 349.395 -1.211 20 30 EAEDLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130203358 786915364 /nfs/dbraw/zinc/91/53/64/786915364.db2.gz ZKRZDPLPQPSCKN-VWYCJHECSA-N 1 2 349.395 -1.211 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)NC(N)=O)n[nH]1 ZINC001130204633 786915485 /nfs/dbraw/zinc/91/54/85/786915485.db2.gz AJBBDZAIVIWJFM-DCAQKATOSA-N 1 2 349.395 -1.427 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(=O)NC)n[nH]1 ZINC001130205202 786915427 /nfs/dbraw/zinc/91/54/27/786915427.db2.gz UOLVCOSORBIHMJ-QWRGUYRKSA-N 1 2 334.380 -1.348 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2COC(=O)N2)n[nH]1 ZINC001130207749 786918788 /nfs/dbraw/zinc/91/87/88/786918788.db2.gz NXGGYWIPWHJHRK-AXFHLTTASA-N 1 2 348.363 -1.375 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2COC(=O)N2)n[nH]1 ZINC001130207750 786918587 /nfs/dbraw/zinc/91/85/87/786918587.db2.gz NXGGYWIPWHJHRK-DCAQKATOSA-N 1 2 348.363 -1.375 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2ncnn2)n[nH]1 ZINC001130209488 786919102 /nfs/dbraw/zinc/91/91/02/786919102.db2.gz CNRJDCZUHMOMCJ-QWRGUYRKSA-N 1 2 345.367 -1.797 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncn(C)n2)n[nH]1 ZINC001130209525 786918968 /nfs/dbraw/zinc/91/89/68/786918968.db2.gz FMFMIHFUOIVBSJ-QWRGUYRKSA-N 1 2 344.379 -1.042 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(C)nn2)n[nH]1 ZINC001130209623 786918385 /nfs/dbraw/zinc/91/83/85/786918385.db2.gz HRKXFTDHJGELQI-JQWIXIFHSA-N 1 2 344.379 -1.042 20 30 EAEDLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212790 786918178 /nfs/dbraw/zinc/91/81/78/786918178.db2.gz DBRQANZPGUCLTC-RYUDHWBXSA-N 1 2 346.391 -1.218 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2nccn2)n[nH]1 ZINC001130215929 786918476 /nfs/dbraw/zinc/91/84/76/786918476.db2.gz IIHQLVATUDXQQA-RYUDHWBXSA-N 1 2 344.379 -1.192 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(=O)NC)n[nH]1 ZINC001130221058 786920179 /nfs/dbraw/zinc/92/01/79/786920179.db2.gz RHGWMZIOBWKQEY-QWRGUYRKSA-N 1 2 349.395 -1.555 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCNC2=O)n[nH]1 ZINC001130224916 786921600 /nfs/dbraw/zinc/92/16/00/786921600.db2.gz IPGMJMSXPQHNJS-SRVKXCTJSA-N 1 2 346.391 -1.348 20 30 EAEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCNC2=O)n[nH]1 ZINC001130224917 786921534 /nfs/dbraw/zinc/92/15/34/786921534.db2.gz IPGMJMSXPQHNJS-TUAOUCFPSA-N 1 2 346.391 -1.348 20 30 EAEDLO 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C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001149256496 793058103 /nfs/dbraw/zinc/05/81/03/793058103.db2.gz SJTUKFCWELEFKU-LBPRGKRZSA-N 1 2 340.380 -1.701 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001149263917 793059049 /nfs/dbraw/zinc/05/90/49/793059049.db2.gz PGFGGKGADGWHDT-JTQLQIEISA-N 1 2 338.393 -1.001 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001149263917 793059035 /nfs/dbraw/zinc/05/90/35/793059035.db2.gz PGFGGKGADGWHDT-JTQLQIEISA-N 1 2 338.393 -1.001 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001149263918 793058044 /nfs/dbraw/zinc/05/80/44/793058044.db2.gz PGFGGKGADGWHDT-SNVBAGLBSA-N 1 2 338.393 -1.001 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001149263918 793058034 /nfs/dbraw/zinc/05/80/34/793058034.db2.gz PGFGGKGADGWHDT-SNVBAGLBSA-N 1 2 338.393 -1.001 20 30 EAEDLO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001149302299 793061765 /nfs/dbraw/zinc/06/17/65/793061765.db2.gz QTDUJTHSEIMZJC-GFCCVEGCSA-N 1 2 334.380 -1.119 20 30 EAEDLO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001149302299 793061751 /nfs/dbraw/zinc/06/17/51/793061751.db2.gz QTDUJTHSEIMZJC-GFCCVEGCSA-N 1 2 334.380 -1.119 20 30 EAEDLO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001149302301 793061047 /nfs/dbraw/zinc/06/10/47/793061047.db2.gz QTDUJTHSEIMZJC-LBPRGKRZSA-N 1 2 334.380 -1.119 20 30 EAEDLO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001149302301 793061039 /nfs/dbraw/zinc/06/10/39/793061039.db2.gz QTDUJTHSEIMZJC-LBPRGKRZSA-N 1 2 334.380 -1.119 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2C)C1 ZINC001149303177 793060840 /nfs/dbraw/zinc/06/08/40/793060840.db2.gz UCMVIXWYAIVNNW-CYBMUJFWSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccnn2C)C1 ZINC001149303177 793060835 /nfs/dbraw/zinc/06/08/35/793060835.db2.gz UCMVIXWYAIVNNW-CYBMUJFWSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001149303178 793061730 /nfs/dbraw/zinc/06/17/30/793061730.db2.gz UCMVIXWYAIVNNW-ZDUSSCGKSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001149303178 793061718 /nfs/dbraw/zinc/06/17/18/793061718.db2.gz UCMVIXWYAIVNNW-ZDUSSCGKSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cnn(C)c2)C1 ZINC001149361994 793064469 /nfs/dbraw/zinc/06/44/69/793064469.db2.gz MHAULWRGDZKELH-HNNXBMFYSA-N 1 2 347.419 -1.081 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cnn(C)c2)C1 ZINC001149361994 793064466 /nfs/dbraw/zinc/06/44/66/793064466.db2.gz MHAULWRGDZKELH-HNNXBMFYSA-N 1 2 347.419 -1.081 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cnn(C)c2)C1 ZINC001149361995 793063637 /nfs/dbraw/zinc/06/36/37/793063637.db2.gz MHAULWRGDZKELH-OAHLLOKOSA-N 1 2 347.419 -1.081 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cnn(C)c2)C1 ZINC001149361995 793063623 /nfs/dbraw/zinc/06/36/23/793063623.db2.gz MHAULWRGDZKELH-OAHLLOKOSA-N 1 2 347.419 -1.081 20 30 EAEDLO Cn1cc(CC(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)cn1 ZINC001149363684 793064165 /nfs/dbraw/zinc/06/41/65/793064165.db2.gz ZUQREPQESOJTPY-AWEZNQCLSA-N 1 2 348.407 -1.191 20 30 EAEDLO Cn1cc(CC(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)cn1 ZINC001149363684 793064155 /nfs/dbraw/zinc/06/41/55/793064155.db2.gz ZUQREPQESOJTPY-AWEZNQCLSA-N 1 2 348.407 -1.191 20 30 EAEDLO Cn1cc(CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)cn1 ZINC001149363687 793064130 /nfs/dbraw/zinc/06/41/30/793064130.db2.gz ZUQREPQESOJTPY-CQSZACIVSA-N 1 2 348.407 -1.191 20 30 EAEDLO Cn1cc(CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)cn1 ZINC001149363687 793064123 /nfs/dbraw/zinc/06/41/23/793064123.db2.gz ZUQREPQESOJTPY-CQSZACIVSA-N 1 2 348.407 -1.191 20 30 EAEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149383248 793065461 /nfs/dbraw/zinc/06/54/61/793065461.db2.gz CXDTWAMBAILNQP-LLVKDONJSA-N 1 2 328.369 -1.409 20 30 EAEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149383248 793065451 /nfs/dbraw/zinc/06/54/51/793065451.db2.gz CXDTWAMBAILNQP-LLVKDONJSA-N 1 2 328.369 -1.409 20 30 EAEDLO C=CCOCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149383249 793066126 /nfs/dbraw/zinc/06/61/26/793066126.db2.gz CXDTWAMBAILNQP-NSHDSACASA-N 1 2 328.369 -1.409 20 30 EAEDLO C=CCOCC(=O)NC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCCO1 ZINC001149383249 793066122 /nfs/dbraw/zinc/06/61/22/793066122.db2.gz CXDTWAMBAILNQP-NSHDSACASA-N 1 2 328.369 -1.409 20 30 EAEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)CCCO1 ZINC001149383686 793067107 /nfs/dbraw/zinc/06/71/07/793067107.db2.gz KEOQQYKXOPICAP-GFCCVEGCSA-N 1 2 342.396 -1.148 20 30 EAEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)CCCO1 ZINC001149383686 793067096 /nfs/dbraw/zinc/06/70/96/793067096.db2.gz KEOQQYKXOPICAP-GFCCVEGCSA-N 1 2 342.396 -1.148 20 30 EAEDLO C=CCOCC(=O)NC[C@H]1C[N@@H+](CC(=O)NC(=O)NC)CCCO1 ZINC001149383687 793064831 /nfs/dbraw/zinc/06/48/31/793064831.db2.gz KEOQQYKXOPICAP-LBPRGKRZSA-N 1 2 342.396 -1.148 20 30 EAEDLO C=CCOCC(=O)NC[C@H]1C[N@H+](CC(=O)NC(=O)NC)CCCO1 ZINC001149383687 793064823 /nfs/dbraw/zinc/06/48/23/793064823.db2.gz KEOQQYKXOPICAP-LBPRGKRZSA-N 1 2 342.396 -1.148 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149397904 793065898 /nfs/dbraw/zinc/06/58/98/793065898.db2.gz HURCGHPDYRNGPA-NWDGAFQWSA-N 1 2 337.380 -1.888 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149397904 793065887 /nfs/dbraw/zinc/06/58/87/793065887.db2.gz HURCGHPDYRNGPA-NWDGAFQWSA-N 1 2 337.380 -1.888 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149397905 793066100 /nfs/dbraw/zinc/06/61/00/793066100.db2.gz HURCGHPDYRNGPA-VXGBXAGGSA-N 1 2 337.380 -1.888 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149397905 793066089 /nfs/dbraw/zinc/06/60/89/793066089.db2.gz HURCGHPDYRNGPA-VXGBXAGGSA-N 1 2 337.380 -1.888 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149399272 793066308 /nfs/dbraw/zinc/06/63/08/793066308.db2.gz RMEXGGTXTHIIOX-CHWSQXEVSA-N 1 2 336.392 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149399272 793066296 /nfs/dbraw/zinc/06/62/96/793066296.db2.gz RMEXGGTXTHIIOX-CHWSQXEVSA-N 1 2 336.392 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149399273 793065041 /nfs/dbraw/zinc/06/50/41/793065041.db2.gz RMEXGGTXTHIIOX-QWHCGFSZSA-N 1 2 336.392 -1.779 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001149399273 793065032 /nfs/dbraw/zinc/06/50/32/793065032.db2.gz RMEXGGTXTHIIOX-QWHCGFSZSA-N 1 2 336.392 -1.779 20 30 EAEDLO CCC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001149399381 793066966 /nfs/dbraw/zinc/06/69/66/793066966.db2.gz SHQRKUUTKREQIR-GFCCVEGCSA-N 1 2 339.396 -1.641 20 30 EAEDLO CCC(=O)NCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001149399381 793066958 /nfs/dbraw/zinc/06/69/58/793066958.db2.gz SHQRKUUTKREQIR-GFCCVEGCSA-N 1 2 339.396 -1.641 20 30 EAEDLO CCC(=O)NCC(=O)NC[C@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001149399382 793067078 /nfs/dbraw/zinc/06/70/78/793067078.db2.gz SHQRKUUTKREQIR-LBPRGKRZSA-N 1 2 339.396 -1.641 20 30 EAEDLO CCC(=O)NCC(=O)NC[C@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001149399382 793067075 /nfs/dbraw/zinc/06/70/75/793067075.db2.gz SHQRKUUTKREQIR-LBPRGKRZSA-N 1 2 339.396 -1.641 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001149405937 793065205 /nfs/dbraw/zinc/06/52/05/793065205.db2.gz GPCQVFGDWWYVLH-LLVKDONJSA-N 1 2 347.379 -1.481 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001149405937 793065201 /nfs/dbraw/zinc/06/52/01/793065201.db2.gz GPCQVFGDWWYVLH-LLVKDONJSA-N 1 2 347.379 -1.481 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001149405938 793066513 /nfs/dbraw/zinc/06/65/13/793066513.db2.gz GPCQVFGDWWYVLH-NSHDSACASA-N 1 2 347.379 -1.481 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001149405938 793066499 /nfs/dbraw/zinc/06/64/99/793066499.db2.gz GPCQVFGDWWYVLH-NSHDSACASA-N 1 2 347.379 -1.481 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149409995 787500183 /nfs/dbraw/zinc/50/01/83/787500183.db2.gz WQCIMWAYQLDCGC-GHMZBOCLSA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149409995 787500179 /nfs/dbraw/zinc/50/01/79/787500179.db2.gz WQCIMWAYQLDCGC-GHMZBOCLSA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149409996 787500399 /nfs/dbraw/zinc/50/03/99/787500399.db2.gz WQCIMWAYQLDCGC-MNOVXSKESA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149409996 787500396 /nfs/dbraw/zinc/50/03/96/787500396.db2.gz WQCIMWAYQLDCGC-MNOVXSKESA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001149409997 787499168 /nfs/dbraw/zinc/49/91/68/787499168.db2.gz WQCIMWAYQLDCGC-QWRGUYRKSA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001149409997 787499165 /nfs/dbraw/zinc/49/91/65/787499165.db2.gz WQCIMWAYQLDCGC-QWRGUYRKSA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001149409998 787500052 /nfs/dbraw/zinc/50/00/52/787500052.db2.gz WQCIMWAYQLDCGC-WDEREUQCSA-N 1 2 325.369 -1.191 20 30 EAEDLO CNC(=O)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001149409998 787500047 /nfs/dbraw/zinc/50/00/47/787500047.db2.gz WQCIMWAYQLDCGC-WDEREUQCSA-N 1 2 325.369 -1.191 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001149410339 793066820 /nfs/dbraw/zinc/06/68/20/793066820.db2.gz ZBQQGDDQMZVCTL-GFCCVEGCSA-N 1 2 346.391 -1.371 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001149410339 793066809 /nfs/dbraw/zinc/06/68/09/793066809.db2.gz ZBQQGDDQMZVCTL-GFCCVEGCSA-N 1 2 346.391 -1.371 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001149410340 793065073 /nfs/dbraw/zinc/06/50/73/793065073.db2.gz ZBQQGDDQMZVCTL-LBPRGKRZSA-N 1 2 346.391 -1.371 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001149410340 793065066 /nfs/dbraw/zinc/06/50/66/793065066.db2.gz ZBQQGDDQMZVCTL-LBPRGKRZSA-N 1 2 346.391 -1.371 20 30 EAEDLO COCCOCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001149423831 787516955 /nfs/dbraw/zinc/51/69/55/787516955.db2.gz CWICHHYCEPOTKC-CYBMUJFWSA-N 1 2 342.396 -1.504 20 30 EAEDLO COCCOCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001149423831 787516949 /nfs/dbraw/zinc/51/69/49/787516949.db2.gz CWICHHYCEPOTKC-CYBMUJFWSA-N 1 2 342.396 -1.504 20 30 EAEDLO COCCOCC(=O)NC[C@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001149423832 787517209 /nfs/dbraw/zinc/51/72/09/787517209.db2.gz CWICHHYCEPOTKC-ZDUSSCGKSA-N 1 2 342.396 -1.504 20 30 EAEDLO COCCOCC(=O)NC[C@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001149423832 787517200 /nfs/dbraw/zinc/51/72/00/787517200.db2.gz CWICHHYCEPOTKC-ZDUSSCGKSA-N 1 2 342.396 -1.504 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)COCCOC)C1 ZINC001149423893 793066027 /nfs/dbraw/zinc/06/60/27/793066027.db2.gz FFYCRJVRDRLVQM-AWEZNQCLSA-N 1 2 341.408 -1.394 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)COCCOC)C1 ZINC001149423893 793066016 /nfs/dbraw/zinc/06/60/16/793066016.db2.gz FFYCRJVRDRLVQM-AWEZNQCLSA-N 1 2 341.408 -1.394 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)COCCOC)C1 ZINC001149423894 793067014 /nfs/dbraw/zinc/06/70/14/793067014.db2.gz FFYCRJVRDRLVQM-CQSZACIVSA-N 1 2 341.408 -1.394 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)COCCOC)C1 ZINC001149423894 793067007 /nfs/dbraw/zinc/06/70/07/793067007.db2.gz FFYCRJVRDRLVQM-CQSZACIVSA-N 1 2 341.408 -1.394 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001149446664 793068695 /nfs/dbraw/zinc/06/86/95/793068695.db2.gz GWINHZSMJRZGOD-CYBMUJFWSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001149446664 793068687 /nfs/dbraw/zinc/06/86/87/793068687.db2.gz GWINHZSMJRZGOD-CYBMUJFWSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001149446665 793068840 /nfs/dbraw/zinc/06/88/40/793068840.db2.gz GWINHZSMJRZGOD-ZDUSSCGKSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001149446665 793068830 /nfs/dbraw/zinc/06/88/30/793068830.db2.gz GWINHZSMJRZGOD-ZDUSSCGKSA-N 1 2 348.407 -1.306 20 30 EAEDLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)nnn1C ZINC001149448452 793071790 /nfs/dbraw/zinc/07/17/90/793071790.db2.gz QJQNTXIIUQLMSB-GFCCVEGCSA-N 1 2 349.395 -1.416 20 30 EAEDLO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)nnn1C ZINC001149448452 793071782 /nfs/dbraw/zinc/07/17/82/793071782.db2.gz QJQNTXIIUQLMSB-GFCCVEGCSA-N 1 2 349.395 -1.416 20 30 EAEDLO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)nnn1C ZINC001149448455 793070686 /nfs/dbraw/zinc/07/06/86/793070686.db2.gz QJQNTXIIUQLMSB-LBPRGKRZSA-N 1 2 349.395 -1.416 20 30 EAEDLO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)nnn1C ZINC001149448455 793070674 /nfs/dbraw/zinc/07/06/74/793070674.db2.gz QJQNTXIIUQLMSB-LBPRGKRZSA-N 1 2 349.395 -1.416 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(=O)CC)C1 ZINC001149449289 793071009 /nfs/dbraw/zinc/07/10/09/793071009.db2.gz ZDSVTRCHLKYQMB-CYBMUJFWSA-N 1 2 338.408 -1.531 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CNC(=O)CC)C1 ZINC001149449289 793070996 /nfs/dbraw/zinc/07/09/96/793070996.db2.gz ZDSVTRCHLKYQMB-CYBMUJFWSA-N 1 2 338.408 -1.531 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(=O)CC)C1 ZINC001149449290 793070548 /nfs/dbraw/zinc/07/05/48/793070548.db2.gz ZDSVTRCHLKYQMB-ZDUSSCGKSA-N 1 2 338.408 -1.531 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(=O)CC)C1 ZINC001149449290 793070541 /nfs/dbraw/zinc/07/05/41/793070541.db2.gz ZDSVTRCHLKYQMB-ZDUSSCGKSA-N 1 2 338.408 -1.531 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149458591 793072080 /nfs/dbraw/zinc/07/20/80/793072080.db2.gz RGDRPOBJKMMPDD-AWEZNQCLSA-N 1 2 333.392 -1.091 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149458591 793072066 /nfs/dbraw/zinc/07/20/66/793072066.db2.gz RGDRPOBJKMMPDD-AWEZNQCLSA-N 1 2 333.392 -1.091 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149458592 793070302 /nfs/dbraw/zinc/07/03/02/793070302.db2.gz RGDRPOBJKMMPDD-CQSZACIVSA-N 1 2 333.392 -1.091 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149458592 793070297 /nfs/dbraw/zinc/07/02/97/793070297.db2.gz RGDRPOBJKMMPDD-CQSZACIVSA-N 1 2 333.392 -1.091 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466009 793072512 /nfs/dbraw/zinc/07/25/12/793072512.db2.gz NAKYKNSKUCNZKY-CYBMUJFWSA-N 1 2 334.380 -1.201 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466009 793072503 /nfs/dbraw/zinc/07/25/03/793072503.db2.gz NAKYKNSKUCNZKY-CYBMUJFWSA-N 1 2 334.380 -1.201 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466010 793074823 /nfs/dbraw/zinc/07/48/23/793074823.db2.gz NAKYKNSKUCNZKY-ZDUSSCGKSA-N 1 2 334.380 -1.201 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001149466010 793074809 /nfs/dbraw/zinc/07/48/09/793074809.db2.gz NAKYKNSKUCNZKY-ZDUSSCGKSA-N 1 2 334.380 -1.201 20 30 EAEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)c1 ZINC001149496780 793076729 /nfs/dbraw/zinc/07/67/29/793076729.db2.gz LZGBZLJXMXVWSQ-LLVKDONJSA-N 1 2 348.363 -1.098 20 30 EAEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)c1 ZINC001149496780 793076720 /nfs/dbraw/zinc/07/67/20/793076720.db2.gz LZGBZLJXMXVWSQ-LLVKDONJSA-N 1 2 348.363 -1.098 20 30 EAEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)c1 ZINC001149496781 793076426 /nfs/dbraw/zinc/07/64/26/793076426.db2.gz LZGBZLJXMXVWSQ-NSHDSACASA-N 1 2 348.363 -1.098 20 30 EAEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)c1 ZINC001149496781 793076421 /nfs/dbraw/zinc/07/64/21/793076421.db2.gz LZGBZLJXMXVWSQ-NSHDSACASA-N 1 2 348.363 -1.098 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001149507010 793075879 /nfs/dbraw/zinc/07/58/79/793075879.db2.gz YQBUGDLXGFIMMJ-CYBMUJFWSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001149507010 793075867 /nfs/dbraw/zinc/07/58/67/793075867.db2.gz YQBUGDLXGFIMMJ-CYBMUJFWSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001149507011 793075781 /nfs/dbraw/zinc/07/57/81/793075781.db2.gz YQBUGDLXGFIMMJ-ZDUSSCGKSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001149507011 793075768 /nfs/dbraw/zinc/07/57/68/793075768.db2.gz YQBUGDLXGFIMMJ-ZDUSSCGKSA-N 1 2 348.407 -1.306 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001149520149 793078977 /nfs/dbraw/zinc/07/89/77/793078977.db2.gz DDXWKTJORCAMKR-CYBMUJFWSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001149520149 793078968 /nfs/dbraw/zinc/07/89/68/793078968.db2.gz DDXWKTJORCAMKR-CYBMUJFWSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001149520150 793079040 /nfs/dbraw/zinc/07/90/40/793079040.db2.gz DDXWKTJORCAMKR-ZDUSSCGKSA-N 1 2 333.392 -1.010 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001149520150 793079027 /nfs/dbraw/zinc/07/90/27/793079027.db2.gz DDXWKTJORCAMKR-ZDUSSCGKSA-N 1 2 333.392 -1.010 20 30 EAEDLO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)c1 ZINC001149521979 793080016 /nfs/dbraw/zinc/08/00/16/793080016.db2.gz RODFSRIBLUUXSZ-GFCCVEGCSA-N 1 2 334.380 -1.119 20 30 EAEDLO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)c1 ZINC001149521979 793080003 /nfs/dbraw/zinc/08/00/03/793080003.db2.gz RODFSRIBLUUXSZ-GFCCVEGCSA-N 1 2 334.380 -1.119 20 30 EAEDLO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)c1 ZINC001149521980 793079195 /nfs/dbraw/zinc/07/91/95/793079195.db2.gz RODFSRIBLUUXSZ-LBPRGKRZSA-N 1 2 334.380 -1.119 20 30 EAEDLO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)c1 ZINC001149521980 793079187 /nfs/dbraw/zinc/07/91/87/793079187.db2.gz RODFSRIBLUUXSZ-LBPRGKRZSA-N 1 2 334.380 -1.119 20 30 EAEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)[nH]1 ZINC001149547220 793080765 /nfs/dbraw/zinc/08/07/65/793080765.db2.gz BDZKXUVOGIZDNI-LLVKDONJSA-N 1 2 348.363 -1.098 20 30 EAEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)[nH]1 ZINC001149547220 793080756 /nfs/dbraw/zinc/08/07/56/793080756.db2.gz BDZKXUVOGIZDNI-LLVKDONJSA-N 1 2 348.363 -1.098 20 30 EAEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CCCO2)[nH]1 ZINC001149547221 793082112 /nfs/dbraw/zinc/08/21/12/793082112.db2.gz BDZKXUVOGIZDNI-NSHDSACASA-N 1 2 348.363 -1.098 20 30 EAEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC(N)=O)CCCO2)[nH]1 ZINC001149547221 793082103 /nfs/dbraw/zinc/08/21/03/793082103.db2.gz BDZKXUVOGIZDNI-NSHDSACASA-N 1 2 348.363 -1.098 20 30 EAEDLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548888 793083490 /nfs/dbraw/zinc/08/34/90/793083490.db2.gz KLVGRFJMRQJDRC-CHWSQXEVSA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548888 793083479 /nfs/dbraw/zinc/08/34/79/793083479.db2.gz KLVGRFJMRQJDRC-CHWSQXEVSA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@H](C(=O)NC[C@H]1C[N@@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548889 793084010 /nfs/dbraw/zinc/08/40/10/793084010.db2.gz KLVGRFJMRQJDRC-OLZOCXBDSA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@H](C(=O)NC[C@H]1C[N@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548889 793083995 /nfs/dbraw/zinc/08/39/95/793083995.db2.gz KLVGRFJMRQJDRC-OLZOCXBDSA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548893 793085047 /nfs/dbraw/zinc/08/50/47/793085047.db2.gz KLVGRFJMRQJDRC-QWHCGFSZSA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548893 793085036 /nfs/dbraw/zinc/08/50/36/793085036.db2.gz KLVGRFJMRQJDRC-QWHCGFSZSA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548901 793084147 /nfs/dbraw/zinc/08/41/47/793084147.db2.gz KLVGRFJMRQJDRC-STQMWFEESA-N 1 2 349.395 -1.314 20 30 EAEDLO C[C@@H](C(=O)NC[C@H]1C[N@H+](CC(=O)NCC#N)CCCO1)n1cncn1 ZINC001149548901 793084140 /nfs/dbraw/zinc/08/41/40/793084140.db2.gz KLVGRFJMRQJDRC-STQMWFEESA-N 1 2 349.395 -1.314 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001149549392 793084393 /nfs/dbraw/zinc/08/43/93/793084393.db2.gz NKZDGFHPVLQVAI-KBPBESRZSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001149549392 793084381 /nfs/dbraw/zinc/08/43/81/793084381.db2.gz NKZDGFHPVLQVAI-KBPBESRZSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001149549395 793083181 /nfs/dbraw/zinc/08/31/81/793083181.db2.gz NKZDGFHPVLQVAI-KGLIPLIRSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001149549395 793083170 /nfs/dbraw/zinc/08/31/70/793083170.db2.gz NKZDGFHPVLQVAI-KGLIPLIRSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001149549397 793083244 /nfs/dbraw/zinc/08/32/44/793083244.db2.gz NKZDGFHPVLQVAI-UONOGXRCSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)n2cncn2)C1 ZINC001149549397 793083241 /nfs/dbraw/zinc/08/32/41/793083241.db2.gz NKZDGFHPVLQVAI-UONOGXRCSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001149549400 793085294 /nfs/dbraw/zinc/08/52/94/793085294.db2.gz NKZDGFHPVLQVAI-ZIAGYGMSSA-N 1 2 348.407 -1.204 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001149549400 793085286 /nfs/dbraw/zinc/08/52/86/793085286.db2.gz 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N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccnn2)C1 ZINC001150469286 793167533 /nfs/dbraw/zinc/16/75/33/793167533.db2.gz DZLZDFRKOUKKDO-LBPRGKRZSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncccn2)C1 ZINC001150470261 793167744 /nfs/dbraw/zinc/16/77/44/793167744.db2.gz OKTUVDFFJUVQQO-GFCCVEGCSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncccn2)C1 ZINC001150470261 793167736 /nfs/dbraw/zinc/16/77/36/793167736.db2.gz OKTUVDFFJUVQQO-GFCCVEGCSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC001150470262 793166911 /nfs/dbraw/zinc/16/69/11/793166911.db2.gz OKTUVDFFJUVQQO-LBPRGKRZSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncccn2)C1 ZINC001150470262 793166907 /nfs/dbraw/zinc/16/69/07/793166907.db2.gz OKTUVDFFJUVQQO-LBPRGKRZSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccncn2)C1 ZINC001150470613 787839327 /nfs/dbraw/zinc/83/93/27/787839327.db2.gz SRLGDOOKTKVIFM-GFCCVEGCSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccncn2)C1 ZINC001150470613 787839318 /nfs/dbraw/zinc/83/93/18/787839318.db2.gz SRLGDOOKTKVIFM-GFCCVEGCSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC001150470614 787839713 /nfs/dbraw/zinc/83/97/13/787839713.db2.gz SRLGDOOKTKVIFM-LBPRGKRZSA-N 1 2 332.364 -1.063 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccncn2)C1 ZINC001150470614 787839701 /nfs/dbraw/zinc/83/97/01/787839701.db2.gz SRLGDOOKTKVIFM-LBPRGKRZSA-N 1 2 332.364 -1.063 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496623 793169729 /nfs/dbraw/zinc/16/97/29/793169729.db2.gz GAFQKTBNAWVFGF-CYBMUJFWSA-N 1 2 349.395 -1.980 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496623 793169725 /nfs/dbraw/zinc/16/97/25/793169725.db2.gz GAFQKTBNAWVFGF-CYBMUJFWSA-N 1 2 349.395 -1.980 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496624 793169581 /nfs/dbraw/zinc/16/95/81/793169581.db2.gz GAFQKTBNAWVFGF-ZDUSSCGKSA-N 1 2 349.395 -1.980 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496624 793169576 /nfs/dbraw/zinc/16/95/76/793169576.db2.gz GAFQKTBNAWVFGF-ZDUSSCGKSA-N 1 2 349.395 -1.980 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001150498870 793169781 /nfs/dbraw/zinc/16/97/81/793169781.db2.gz RLVPIHVGKFLQFP-CYBMUJFWSA-N 1 2 348.407 -1.132 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001150498870 793169775 /nfs/dbraw/zinc/16/97/75/793169775.db2.gz RLVPIHVGKFLQFP-CYBMUJFWSA-N 1 2 348.407 -1.132 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001150498873 793168863 /nfs/dbraw/zinc/16/88/63/793168863.db2.gz RLVPIHVGKFLQFP-ZDUSSCGKSA-N 1 2 348.407 -1.132 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001150498873 793168859 /nfs/dbraw/zinc/16/88/59/793168859.db2.gz RLVPIHVGKFLQFP-ZDUSSCGKSA-N 1 2 348.407 -1.132 20 30 EAEDLO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)nn1 ZINC001150499609 793169689 /nfs/dbraw/zinc/16/96/89/793169689.db2.gz YVHAQAJUFDZMBV-GFCCVEGCSA-N 1 2 349.395 -1.242 20 30 EAEDLO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)nn1 ZINC001150499609 793169682 /nfs/dbraw/zinc/16/96/82/793169682.db2.gz YVHAQAJUFDZMBV-GFCCVEGCSA-N 1 2 349.395 -1.242 20 30 EAEDLO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)nn1 ZINC001150499610 793169830 /nfs/dbraw/zinc/16/98/30/793169830.db2.gz YVHAQAJUFDZMBV-LBPRGKRZSA-N 1 2 349.395 -1.242 20 30 EAEDLO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)nn1 ZINC001150499610 793169824 /nfs/dbraw/zinc/16/98/24/793169824.db2.gz YVHAQAJUFDZMBV-LBPRGKRZSA-N 1 2 349.395 -1.242 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506874 793170095 /nfs/dbraw/zinc/17/00/95/793170095.db2.gz BLXSRMSAPLIPEV-CYBMUJFWSA-N 1 2 333.392 -1.091 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506874 793170093 /nfs/dbraw/zinc/17/00/93/793170093.db2.gz BLXSRMSAPLIPEV-CYBMUJFWSA-N 1 2 333.392 -1.091 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506875 793169228 /nfs/dbraw/zinc/16/92/28/793169228.db2.gz BLXSRMSAPLIPEV-ZDUSSCGKSA-N 1 2 333.392 -1.091 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506875 793169221 /nfs/dbraw/zinc/16/92/21/793169221.db2.gz BLXSRMSAPLIPEV-ZDUSSCGKSA-N 1 2 333.392 -1.091 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506900 793168700 /nfs/dbraw/zinc/16/87/00/793168700.db2.gz CBIXGVPGHULVSN-GFCCVEGCSA-N 1 2 334.380 -1.201 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506900 793168697 /nfs/dbraw/zinc/16/86/97/793168697.db2.gz CBIXGVPGHULVSN-GFCCVEGCSA-N 1 2 334.380 -1.201 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001150506901 793169944 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346.453 -1.082 20 30 EAEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177055242 787896029 /nfs/dbraw/zinc/89/60/29/787896029.db2.gz JWBOBMGONFSBQL-QWHCGFSZSA-N 1 2 346.453 -1.082 20 30 EAEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177055243 787894935 /nfs/dbraw/zinc/89/49/35/787894935.db2.gz JWBOBMGONFSBQL-STQMWFEESA-N 1 2 346.453 -1.082 20 30 EAEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177055243 787894928 /nfs/dbraw/zinc/89/49/28/787894928.db2.gz JWBOBMGONFSBQL-STQMWFEESA-N 1 2 346.453 -1.082 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001177102056 787900494 /nfs/dbraw/zinc/90/04/94/787900494.db2.gz QUJZUHOJAUKILI-KBPBESRZSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001177102057 787901576 /nfs/dbraw/zinc/90/15/76/787901576.db2.gz QUJZUHOJAUKILI-KGLIPLIRSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001177102058 787901954 /nfs/dbraw/zinc/90/19/54/787901954.db2.gz QUJZUHOJAUKILI-UONOGXRCSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001177102059 787901298 /nfs/dbraw/zinc/90/12/98/787901298.db2.gz QUJZUHOJAUKILI-ZIAGYGMSSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001177117867 787900647 /nfs/dbraw/zinc/90/06/47/787900647.db2.gz FJUBWIOYSLDNEU-CHWSQXEVSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001177117869 787900103 /nfs/dbraw/zinc/90/01/03/787900103.db2.gz FJUBWIOYSLDNEU-OLZOCXBDSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001177117871 787900278 /nfs/dbraw/zinc/90/02/78/787900278.db2.gz FJUBWIOYSLDNEU-QWHCGFSZSA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001177117872 787900255 /nfs/dbraw/zinc/90/02/55/787900255.db2.gz FJUBWIOYSLDNEU-STQMWFEESA-N 1 2 346.391 -1.106 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177156239 787905997 /nfs/dbraw/zinc/90/59/97/787905997.db2.gz FYDADTLHLREWCI-KBPBESRZSA-N 1 2 346.391 -1.175 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177156240 787905533 /nfs/dbraw/zinc/90/55/33/787905533.db2.gz FYDADTLHLREWCI-KGLIPLIRSA-N 1 2 346.391 -1.175 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177156241 787906016 /nfs/dbraw/zinc/90/60/16/787906016.db2.gz FYDADTLHLREWCI-UONOGXRCSA-N 1 2 346.391 -1.175 20 30 EAEDLO N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177156242 787906151 /nfs/dbraw/zinc/90/61/51/787906151.db2.gz FYDADTLHLREWCI-ZIAGYGMSSA-N 1 2 346.391 -1.175 20 30 EAEDLO C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177156271 787905577 /nfs/dbraw/zinc/90/55/77/787905577.db2.gz HDLNWPHZYZCENJ-CABCVRRESA-N 1 2 345.403 -1.066 20 30 EAEDLO C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177156272 787905600 /nfs/dbraw/zinc/90/56/00/787905600.db2.gz HDLNWPHZYZCENJ-GJZGRUSLSA-N 1 2 345.403 -1.066 20 30 EAEDLO C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177156273 787905966 /nfs/dbraw/zinc/90/59/66/787905966.db2.gz HDLNWPHZYZCENJ-HUUCEWRRSA-N 1 2 345.403 -1.066 20 30 EAEDLO C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177156274 787905846 /nfs/dbraw/zinc/90/58/46/787905846.db2.gz HDLNWPHZYZCENJ-LSDHHAIUSA-N 1 2 345.403 -1.066 20 30 EAEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC001179896668 787953851 /nfs/dbraw/zinc/95/38/51/787953851.db2.gz VSZRQIQIHLKZHT-QWRGUYRKSA-N 1 2 349.395 -1.062 20 30 EAEDLO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001182134573 789675923 /nfs/dbraw/zinc/67/59/23/789675923.db2.gz QZEPZLBEVZUUHL-LLVKDONJSA-N 1 2 334.380 -1.034 20 30 EAEDLO Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C#N)c1=O ZINC001185156821 790389540 /nfs/dbraw/zinc/38/95/40/790389540.db2.gz AIPNTFUQZYPWDB-JTQLQIEISA-N 1 2 334.380 -1.055 20 30 EAEDLO Cn1c(=O)[nH]c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C#N)c1=O ZINC001185156821 790389529 /nfs/dbraw/zinc/38/95/29/790389529.db2.gz AIPNTFUQZYPWDB-JTQLQIEISA-N 1 2 334.380 -1.055 20 30 EAEDLO Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C#N)c1=O ZINC001185156825 790389704 /nfs/dbraw/zinc/38/97/04/790389704.db2.gz AIPNTFUQZYPWDB-SNVBAGLBSA-N 1 2 334.380 -1.055 20 30 EAEDLO Cn1c(=O)[nH]c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C#N)c1=O ZINC001185156825 790389692 /nfs/dbraw/zinc/38/96/92/790389692.db2.gz AIPNTFUQZYPWDB-SNVBAGLBSA-N 1 2 334.380 -1.055 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)COC)C2)nn1 ZINC001185822340 790409051 /nfs/dbraw/zinc/40/90/51/790409051.db2.gz RHRGODJXNRZVKK-AWEZNQCLSA-N 1 2 348.407 -1.073 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)COC)C2)nn1 ZINC001185822341 790408960 /nfs/dbraw/zinc/40/89/60/790408960.db2.gz RHRGODJXNRZVKK-CQSZACIVSA-N 1 2 348.407 -1.073 20 30 EAEDLO COCC(=O)N1CCC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001185822461 790407893 /nfs/dbraw/zinc/40/78/93/790407893.db2.gz SUICNWVGPSSXQN-CYBMUJFWSA-N 1 2 349.395 -1.183 20 30 EAEDLO COCC(=O)N1CCC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001185822467 790408202 /nfs/dbraw/zinc/40/82/02/790408202.db2.gz SUICNWVGPSSXQN-ZDUSSCGKSA-N 1 2 349.395 -1.183 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001185864337 790408496 /nfs/dbraw/zinc/40/84/96/790408496.db2.gz PDFAIUXGIOUXDS-CYBMUJFWSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001185864338 790409316 /nfs/dbraw/zinc/40/93/16/790409316.db2.gz PDFAIUXGIOUXDS-ZDUSSCGKSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001185956043 790414579 /nfs/dbraw/zinc/41/45/79/790414579.db2.gz XPVJBSXGFPXPEM-CYBMUJFWSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001185956044 790414615 /nfs/dbraw/zinc/41/46/15/790414615.db2.gz XPVJBSXGFPXPEM-ZDUSSCGKSA-N 1 2 329.368 -1.149 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992312 790414536 /nfs/dbraw/zinc/41/45/36/790414536.db2.gz ISMXQMYXNGRUGL-GFCCVEGCSA-N 1 2 347.379 -2.234 20 30 EAEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992313 790413559 /nfs/dbraw/zinc/41/35/59/790413559.db2.gz ISMXQMYXNGRUGL-LBPRGKRZSA-N 1 2 347.379 -2.234 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992396 790414292 /nfs/dbraw/zinc/41/42/92/790414292.db2.gz LACNIARIQDCMRC-GFCCVEGCSA-N 1 2 349.395 -1.681 20 30 EAEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992397 790416707 /nfs/dbraw/zinc/41/67/07/790416707.db2.gz LACNIARIQDCMRC-LBPRGKRZSA-N 1 2 349.395 -1.681 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992398 790415803 /nfs/dbraw/zinc/41/58/03/790415803.db2.gz LDDRBEAFEDAQIQ-CYBMUJFWSA-N 1 2 334.380 -1.334 20 30 EAEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992399 790416648 /nfs/dbraw/zinc/41/66/48/790416648.db2.gz LDDRBEAFEDAQIQ-ZDUSSCGKSA-N 1 2 334.380 -1.334 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992626 790416425 /nfs/dbraw/zinc/41/64/25/790416425.db2.gz QIGFJNJHEIHXHV-LLVKDONJSA-N 1 2 348.367 -2.344 20 30 EAEDLO N#CCNC(=O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992627 790416473 /nfs/dbraw/zinc/41/64/73/790416473.db2.gz QIGFJNJHEIHXHV-NSHDSACASA-N 1 2 348.367 -2.344 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001185993680 790415603 /nfs/dbraw/zinc/41/56/03/790415603.db2.gz ZOMIKSXNYLDFSM-CHWSQXEVSA-N 1 2 331.380 -1.154 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001185993690 790415670 /nfs/dbraw/zinc/41/56/70/790415670.db2.gz ZOMIKSXNYLDFSM-OLZOCXBDSA-N 1 2 331.380 -1.154 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001185993692 790415904 /nfs/dbraw/zinc/41/59/04/790415904.db2.gz ZOMIKSXNYLDFSM-QWHCGFSZSA-N 1 2 331.380 -1.154 20 30 EAEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001185993693 790415944 /nfs/dbraw/zinc/41/59/44/790415944.db2.gz ZOMIKSXNYLDFSM-STQMWFEESA-N 1 2 331.380 -1.154 20 30 EAEDLO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001186405735 790434893 /nfs/dbraw/zinc/43/48/93/790434893.db2.gz ZZIFHRCEMHLENU-GFCCVEGCSA-N 1 2 344.375 -1.089 20 30 EAEDLO N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC001186740813 790450924 /nfs/dbraw/zinc/45/09/24/790450924.db2.gz HYDYUVIHUVPVDW-CMPLNLGQSA-N 1 2 330.348 -1.032 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC001186740813 790450914 /nfs/dbraw/zinc/45/09/14/790450914.db2.gz HYDYUVIHUVPVDW-CMPLNLGQSA-N 1 2 330.348 -1.032 20 30 EAEDLO 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790642696 /nfs/dbraw/zinc/64/26/96/790642696.db2.gz SEJSTKAPABNZAG-VXGBXAGGSA-N 1 2 326.422 -1.069 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191156297 790643504 /nfs/dbraw/zinc/64/35/04/790643504.db2.gz IFXVZHAONHKXSS-GHMZBOCLSA-N 1 2 340.405 -1.447 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191156297 790643498 /nfs/dbraw/zinc/64/34/98/790643498.db2.gz IFXVZHAONHKXSS-GHMZBOCLSA-N 1 2 340.405 -1.447 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C2)C1=O ZINC001191186045 790649750 /nfs/dbraw/zinc/64/97/50/790649750.db2.gz VEPQQNGFPJWSTG-HZSPNIEDSA-N 1 2 338.408 -1.587 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C2)C1=O ZINC001191186045 790649747 /nfs/dbraw/zinc/64/97/47/790649747.db2.gz VEPQQNGFPJWSTG-HZSPNIEDSA-N 1 2 338.408 -1.587 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C2)C1=O ZINC001191186046 790650214 /nfs/dbraw/zinc/65/02/14/790650214.db2.gz 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-1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191320416 790659518 /nfs/dbraw/zinc/65/95/18/790659518.db2.gz AAKSDANLQDKBBB-CYZMBNFOSA-N 1 2 338.408 -1.635 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191320416 790659512 /nfs/dbraw/zinc/65/95/12/790659512.db2.gz AAKSDANLQDKBBB-CYZMBNFOSA-N 1 2 338.408 -1.635 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191320427 790659544 /nfs/dbraw/zinc/65/95/44/790659544.db2.gz AAKSDANLQDKBBB-RAIGVLPGSA-N 1 2 338.408 -1.635 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191320427 790659541 /nfs/dbraw/zinc/65/95/41/790659541.db2.gz AAKSDANLQDKBBB-RAIGVLPGSA-N 1 2 338.408 -1.635 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191321888 790661399 /nfs/dbraw/zinc/66/13/99/790661399.db2.gz VPFZAVVWOKYMRU-CYZMBNFOSA-N 1 2 336.392 -2.188 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191321888 790661392 /nfs/dbraw/zinc/66/13/92/790661392.db2.gz VPFZAVVWOKYMRU-CYZMBNFOSA-N 1 2 336.392 -2.188 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191321890 790660835 /nfs/dbraw/zinc/66/08/35/790660835.db2.gz VPFZAVVWOKYMRU-RAIGVLPGSA-N 1 2 336.392 -2.188 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191321890 790660829 /nfs/dbraw/zinc/66/08/29/790660829.db2.gz VPFZAVVWOKYMRU-RAIGVLPGSA-N 1 2 336.392 -2.188 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355894 790656424 /nfs/dbraw/zinc/65/64/24/790656424.db2.gz KARBKMPBIHMGBW-GMTAPVOTSA-N 1 2 328.369 -1.806 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355894 790656415 /nfs/dbraw/zinc/65/64/15/790656415.db2.gz KARBKMPBIHMGBW-GMTAPVOTSA-N 1 2 328.369 -1.806 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355895 790655849 /nfs/dbraw/zinc/65/58/49/790655849.db2.gz KARBKMPBIHMGBW-HBNTYKKESA-N 1 2 328.369 -1.806 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355895 790655843 /nfs/dbraw/zinc/65/58/43/790655843.db2.gz KARBKMPBIHMGBW-HBNTYKKESA-N 1 2 328.369 -1.806 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355902 790656000 /nfs/dbraw/zinc/65/60/00/790656000.db2.gz KGFABGHUPPPTDD-GMTAPVOTSA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355902 790655992 /nfs/dbraw/zinc/65/59/92/790655992.db2.gz KGFABGHUPPPTDD-GMTAPVOTSA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355905 790656842 /nfs/dbraw/zinc/65/68/42/790656842.db2.gz KGFABGHUPPPTDD-HBNTYKKESA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355905 790656837 /nfs/dbraw/zinc/65/68/37/790656837.db2.gz KGFABGHUPPPTDD-HBNTYKKESA-N 1 2 326.353 -2.358 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C2)C1=O ZINC001191391959 790661237 /nfs/dbraw/zinc/66/12/37/790661237.db2.gz DNURAXXCHZLMLR-GRYCIOLGSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C2)C1=O ZINC001191391959 790661235 /nfs/dbraw/zinc/66/12/35/790661235.db2.gz DNURAXXCHZLMLR-GRYCIOLGSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C2)C1=O ZINC001191391965 790661159 /nfs/dbraw/zinc/66/11/59/790661159.db2.gz DNURAXXCHZLMLR-IJLUTSLNSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C2)C1=O ZINC001191391965 790661155 /nfs/dbraw/zinc/66/11/55/790661155.db2.gz DNURAXXCHZLMLR-IJLUTSLNSA-N 1 2 340.380 -1.709 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001191401520 790663701 /nfs/dbraw/zinc/66/37/01/790663701.db2.gz LSHAZYSGTYJGME-BFHYXJOUSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001191401520 790663696 /nfs/dbraw/zinc/66/36/96/790663696.db2.gz LSHAZYSGTYJGME-BFHYXJOUSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001191401521 790663119 /nfs/dbraw/zinc/66/31/19/790663119.db2.gz LSHAZYSGTYJGME-MGPQQGTHSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001191401521 790663114 /nfs/dbraw/zinc/66/31/14/790663114.db2.gz LSHAZYSGTYJGME-MGPQQGTHSA-N 1 2 333.392 -1.509 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC)C1 ZINC001191456877 790668724 /nfs/dbraw/zinc/66/87/24/790668724.db2.gz NMPFWVLXQCXRPT-JHJVBQTASA-N 1 2 340.424 -1.245 20 30 EAEDLO 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790751294 /nfs/dbraw/zinc/75/12/94/790751294.db2.gz YBGUMPOOYPJOBK-VXGBXAGGSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 ZINC001192405616 790751286 /nfs/dbraw/zinc/75/12/86/790751286.db2.gz YBGUMPOOYPJOBK-VXGBXAGGSA-N 1 2 326.397 -1.634 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192429662 790745510 /nfs/dbraw/zinc/74/55/10/790745510.db2.gz OQFYIJMJDXASSE-JHJVBQTASA-N 1 2 339.392 -1.561 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192429662 790745501 /nfs/dbraw/zinc/74/55/01/790745501.db2.gz OQFYIJMJDXASSE-JHJVBQTASA-N 1 2 339.392 -1.561 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192429665 790745829 /nfs/dbraw/zinc/74/58/29/790745829.db2.gz OQFYIJMJDXASSE-YNEHKIRRSA-N 1 2 339.392 -1.561 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192429665 790745824 /nfs/dbraw/zinc/74/58/24/790745824.db2.gz 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EAEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192430003 790746168 /nfs/dbraw/zinc/74/61/68/790746168.db2.gz WVRVHAYBZGFYJH-VXGBXAGGSA-N 1 2 339.396 -1.954 20 30 EAEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192437378 790755847 /nfs/dbraw/zinc/75/58/47/790755847.db2.gz BNJJTGFSHMRQKS-CHWSQXEVSA-N 1 2 340.424 -1.292 20 30 EAEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192437378 790755838 /nfs/dbraw/zinc/75/58/38/790755838.db2.gz BNJJTGFSHMRQKS-CHWSQXEVSA-N 1 2 340.424 -1.292 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192444090 790755563 /nfs/dbraw/zinc/75/55/63/790755563.db2.gz GKBAUYWSRFDNEP-VXGBXAGGSA-N 1 2 327.381 -1.397 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192444090 790755559 /nfs/dbraw/zinc/75/55/59/790755559.db2.gz GKBAUYWSRFDNEP-VXGBXAGGSA-N 1 2 327.381 -1.397 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192462874 790757848 /nfs/dbraw/zinc/75/78/48/790757848.db2.gz MMSAGFFLVQDONP-CHWSQXEVSA-N 1 2 338.408 -1.516 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192462874 790757842 /nfs/dbraw/zinc/75/78/42/790757842.db2.gz MMSAGFFLVQDONP-CHWSQXEVSA-N 1 2 338.408 -1.516 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192476299 790752510 /nfs/dbraw/zinc/75/25/10/790752510.db2.gz FDCJGYYHXFJKFF-LERXQTSPSA-N 1 2 336.392 -2.236 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192476299 790752501 /nfs/dbraw/zinc/75/25/01/790752501.db2.gz FDCJGYYHXFJKFF-LERXQTSPSA-N 1 2 336.392 -2.236 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192476300 790753691 /nfs/dbraw/zinc/75/36/91/790753691.db2.gz FDCJGYYHXFJKFF-ZLKJLUDKSA-N 1 2 336.392 -2.236 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192476300 790753683 /nfs/dbraw/zinc/75/36/83/790753683.db2.gz FDCJGYYHXFJKFF-ZLKJLUDKSA-N 1 2 336.392 -2.236 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476307 790753404 /nfs/dbraw/zinc/75/34/04/790753404.db2.gz FOXWIKDWIDYQOL-GMTAPVOTSA-N 1 2 338.364 -1.556 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476307 790753401 /nfs/dbraw/zinc/75/34/01/790753401.db2.gz FOXWIKDWIDYQOL-GMTAPVOTSA-N 1 2 338.364 -1.556 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476309 790753499 /nfs/dbraw/zinc/75/34/99/790753499.db2.gz FOXWIKDWIDYQOL-HBNTYKKESA-N 1 2 338.364 -1.556 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476309 790753494 /nfs/dbraw/zinc/75/34/94/790753494.db2.gz FOXWIKDWIDYQOL-HBNTYKKESA-N 1 2 338.364 -1.556 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476397 790752326 /nfs/dbraw/zinc/75/23/26/790752326.db2.gz ICPYISUYECFRMJ-GMTAPVOTSA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476397 790752315 /nfs/dbraw/zinc/75/23/15/790752315.db2.gz ICPYISUYECFRMJ-GMTAPVOTSA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476398 790752380 /nfs/dbraw/zinc/75/23/80/790752380.db2.gz ICPYISUYECFRMJ-HBNTYKKESA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476398 790752375 /nfs/dbraw/zinc/75/23/75/790752375.db2.gz ICPYISUYECFRMJ-HBNTYKKESA-N 1 2 336.348 -2.109 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192477490 790755863 /nfs/dbraw/zinc/75/58/63/790755863.db2.gz YYLWIAWVIXVQQP-LERXQTSPSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192477490 790755857 /nfs/dbraw/zinc/75/58/57/790755857.db2.gz YYLWIAWVIXVQQP-LERXQTSPSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192477492 790755422 /nfs/dbraw/zinc/75/54/22/790755422.db2.gz YYLWIAWVIXVQQP-ZLKJLUDKSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192477492 790755414 /nfs/dbraw/zinc/75/54/14/790755414.db2.gz YYLWIAWVIXVQQP-ZLKJLUDKSA-N 1 2 338.408 -1.683 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494164 790760820 /nfs/dbraw/zinc/76/08/20/790760820.db2.gz DLYWJGNMYDFBRK-IACUBPJLSA-N 1 2 331.376 -1.682 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494164 790760814 /nfs/dbraw/zinc/76/08/14/790760814.db2.gz DLYWJGNMYDFBRK-IACUBPJLSA-N 1 2 331.376 -1.682 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494167 790761015 /nfs/dbraw/zinc/76/10/15/790761015.db2.gz DLYWJGNMYDFBRK-MRVWCRGKSA-N 1 2 331.376 -1.682 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494167 790761011 /nfs/dbraw/zinc/76/10/11/790761011.db2.gz DLYWJGNMYDFBRK-MRVWCRGKSA-N 1 2 331.376 -1.682 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494613 790759652 /nfs/dbraw/zinc/75/96/52/790759652.db2.gz HOWUHJRFKBIPGU-IACUBPJLSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494613 790759648 /nfs/dbraw/zinc/75/96/48/790759648.db2.gz HOWUHJRFKBIPGU-IACUBPJLSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494614 790760611 /nfs/dbraw/zinc/76/06/11/790760611.db2.gz HOWUHJRFKBIPGU-MRVWCRGKSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494614 790760602 /nfs/dbraw/zinc/76/06/02/790760602.db2.gz HOWUHJRFKBIPGU-MRVWCRGKSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192494978 790759703 /nfs/dbraw/zinc/75/97/03/790759703.db2.gz MKUZADKBMHFEKW-IACUBPJLSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192494978 790759698 /nfs/dbraw/zinc/75/96/98/790759698.db2.gz MKUZADKBMHFEKW-IACUBPJLSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192494979 790759740 /nfs/dbraw/zinc/75/97/40/790759740.db2.gz MKUZADKBMHFEKW-MRVWCRGKSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192494979 790759735 /nfs/dbraw/zinc/75/97/35/790759735.db2.gz MKUZADKBMHFEKW-MRVWCRGKSA-N 1 2 335.408 -1.185 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192495072 790761133 /nfs/dbraw/zinc/76/11/33/790761133.db2.gz OKAYMNLUKFUWAS-IACUBPJLSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192495072 790761125 /nfs/dbraw/zinc/76/11/25/790761125.db2.gz OKAYMNLUKFUWAS-IACUBPJLSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192495073 790759401 /nfs/dbraw/zinc/75/94/01/790759401.db2.gz OKAYMNLUKFUWAS-MRVWCRGKSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192495073 790759393 /nfs/dbraw/zinc/75/93/93/790759393.db2.gz OKAYMNLUKFUWAS-MRVWCRGKSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192503492 790759232 /nfs/dbraw/zinc/75/92/32/790759232.db2.gz FKKQUYJSEGCSSP-CHWSQXEVSA-N 1 2 331.438 -1.157 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192503492 790759224 /nfs/dbraw/zinc/75/92/24/790759224.db2.gz FKKQUYJSEGCSSP-CHWSQXEVSA-N 1 2 331.438 -1.157 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192503994 790760787 /nfs/dbraw/zinc/76/07/87/790760787.db2.gz SQDCTWIVYVYNLK-ZIAGYGMSSA-N 1 2 343.449 -1.013 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192503994 790760777 /nfs/dbraw/zinc/76/07/77/790760777.db2.gz SQDCTWIVYVYNLK-ZIAGYGMSSA-N 1 2 343.449 -1.013 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001192518417 790761202 /nfs/dbraw/zinc/76/12/02/790761202.db2.gz SNOZOUXKWVOSPH-CHWSQXEVSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001192518417 790761197 /nfs/dbraw/zinc/76/11/97/790761197.db2.gz SNOZOUXKWVOSPH-CHWSQXEVSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001192525062 790766876 /nfs/dbraw/zinc/76/68/76/790766876.db2.gz PTTANCHXYUWVOF-ZIAGYGMSSA-N 1 2 348.403 -1.451 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001192525062 790766869 /nfs/dbraw/zinc/76/68/69/790766869.db2.gz PTTANCHXYUWVOF-ZIAGYGMSSA-N 1 2 348.403 -1.451 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192530275 790767393 /nfs/dbraw/zinc/76/73/93/790767393.db2.gz MGEWPYXNSXQXEV-BZPMIXESSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192530275 790767384 /nfs/dbraw/zinc/76/73/84/790767384.db2.gz MGEWPYXNSXQXEV-BZPMIXESSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192530276 790766964 /nfs/dbraw/zinc/76/69/64/790766964.db2.gz MGEWPYXNSXQXEV-YRGRVCCFSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192530276 790766957 /nfs/dbraw/zinc/76/69/57/790766957.db2.gz MGEWPYXNSXQXEV-YRGRVCCFSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001192531055 790767135 /nfs/dbraw/zinc/76/71/35/790767135.db2.gz SOWHHTQWIIBOLB-IOASZLSFSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001192531055 790767129 /nfs/dbraw/zinc/76/71/29/790767129.db2.gz SOWHHTQWIIBOLB-IOASZLSFSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001192531056 790767271 /nfs/dbraw/zinc/76/72/71/790767271.db2.gz SOWHHTQWIIBOLB-XJKCOSOUSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001192531056 790767265 /nfs/dbraw/zinc/76/72/65/790767265.db2.gz SOWHHTQWIIBOLB-XJKCOSOUSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001192539465 790768342 /nfs/dbraw/zinc/76/83/42/790768342.db2.gz IENMGSBSDVTQAR-NQBHXWOUSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001192539465 790768338 /nfs/dbraw/zinc/76/83/38/790768338.db2.gz IENMGSBSDVTQAR-NQBHXWOUSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001192539470 790768172 /nfs/dbraw/zinc/76/81/72/790768172.db2.gz IENMGSBSDVTQAR-WZRBSPASSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001192539470 790768161 /nfs/dbraw/zinc/76/81/61/790768161.db2.gz IENMGSBSDVTQAR-WZRBSPASSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001192541231 790767625 /nfs/dbraw/zinc/76/76/25/790767625.db2.gz ZIVTYCBVBZQKHS-BZPMIXESSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001192541231 790767616 /nfs/dbraw/zinc/76/76/16/790767616.db2.gz ZIVTYCBVBZQKHS-BZPMIXESSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001192541233 790766913 /nfs/dbraw/zinc/76/69/13/790766913.db2.gz ZIVTYCBVBZQKHS-YRGRVCCFSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001192541233 790766908 /nfs/dbraw/zinc/76/69/08/790766908.db2.gz ZIVTYCBVBZQKHS-YRGRVCCFSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192547424 790762762 /nfs/dbraw/zinc/76/27/62/790762762.db2.gz PJIPNWXLAHYLIB-HZSPNIEDSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192547424 790762757 /nfs/dbraw/zinc/76/27/57/790762757.db2.gz PJIPNWXLAHYLIB-HZSPNIEDSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192547437 790761902 /nfs/dbraw/zinc/76/19/02/790761902.db2.gz PJIPNWXLAHYLIB-MGPQQGTHSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001192547437 790761891 /nfs/dbraw/zinc/76/18/91/790761891.db2.gz PJIPNWXLAHYLIB-MGPQQGTHSA-N 1 2 348.407 -1.384 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548240 790762479 /nfs/dbraw/zinc/76/24/79/790762479.db2.gz ZSZRSUZNKIETKQ-JHJVBQTASA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548240 790762467 /nfs/dbraw/zinc/76/24/67/790762467.db2.gz ZSZRSUZNKIETKQ-JHJVBQTASA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548247 790761841 /nfs/dbraw/zinc/76/18/41/790761841.db2.gz ZSZRSUZNKIETKQ-YNEHKIRRSA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548247 790761829 /nfs/dbraw/zinc/76/18/29/790761829.db2.gz ZSZRSUZNKIETKQ-YNEHKIRRSA-N 1 2 334.380 -2.033 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548256 790763496 /nfs/dbraw/zinc/76/34/96/790763496.db2.gz ZXBBNETVCUXNQS-JHJVBQTASA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548256 790763491 /nfs/dbraw/zinc/76/34/91/790763491.db2.gz ZXBBNETVCUXNQS-JHJVBQTASA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548260 790761999 /nfs/dbraw/zinc/76/19/99/790761999.db2.gz ZXBBNETVCUXNQS-YNEHKIRRSA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192548260 790761988 /nfs/dbraw/zinc/76/19/88/790761988.db2.gz ZXBBNETVCUXNQS-YNEHKIRRSA-N 1 2 336.396 -1.480 20 30 EAEDLO C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580554 790769426 /nfs/dbraw/zinc/76/94/26/790769426.db2.gz IZBDIXKRJJQTAF-JHJVBQTASA-N 1 2 333.392 -1.359 20 30 EAEDLO C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580572 790770539 /nfs/dbraw/zinc/77/05/39/790770539.db2.gz IZBDIXKRJJQTAF-YNEHKIRRSA-N 1 2 333.392 -1.359 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192647946 790772252 /nfs/dbraw/zinc/77/22/52/790772252.db2.gz RBLJFQWTEWYNHC-MVWJERBFSA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192647946 790772243 /nfs/dbraw/zinc/77/22/43/790772243.db2.gz RBLJFQWTEWYNHC-MVWJERBFSA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192647947 790771813 /nfs/dbraw/zinc/77/18/13/790771813.db2.gz RBLJFQWTEWYNHC-YUSALJHKSA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192647947 790771807 /nfs/dbraw/zinc/77/18/07/790771807.db2.gz RBLJFQWTEWYNHC-YUSALJHKSA-N 1 2 337.380 -1.227 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192648238 790771420 /nfs/dbraw/zinc/77/14/20/790771420.db2.gz ZBMAEBKXKRYNCY-MVWJERBFSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192648238 790771415 /nfs/dbraw/zinc/77/14/15/790771415.db2.gz ZBMAEBKXKRYNCY-MVWJERBFSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192648240 790772556 /nfs/dbraw/zinc/77/25/56/790772556.db2.gz ZBMAEBKXKRYNCY-YUSALJHKSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192648240 790772548 /nfs/dbraw/zinc/77/25/48/790772548.db2.gz ZBMAEBKXKRYNCY-YUSALJHKSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192677230 790776724 /nfs/dbraw/zinc/77/67/24/790776724.db2.gz VLJVUKLXGNFTMI-IJLUTSLNSA-N 1 2 339.396 -2.395 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192677230 790776714 /nfs/dbraw/zinc/77/67/14/790776714.db2.gz VLJVUKLXGNFTMI-IJLUTSLNSA-N 1 2 339.396 -2.395 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192677232 790776375 /nfs/dbraw/zinc/77/63/75/790776375.db2.gz VLJVUKLXGNFTMI-QJPTWQEYSA-N 1 2 339.396 -2.395 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192677232 790776368 /nfs/dbraw/zinc/77/63/68/790776368.db2.gz VLJVUKLXGNFTMI-QJPTWQEYSA-N 1 2 339.396 -2.395 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192686172 790776401 /nfs/dbraw/zinc/77/64/01/790776401.db2.gz JXCOYNJKONQBGI-IJLUTSLNSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192686172 790776394 /nfs/dbraw/zinc/77/63/94/790776394.db2.gz JXCOYNJKONQBGI-IJLUTSLNSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192686176 790777082 /nfs/dbraw/zinc/77/70/82/790777082.db2.gz JXCOYNJKONQBGI-QJPTWQEYSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192686176 790777072 /nfs/dbraw/zinc/77/70/72/790777072.db2.gz JXCOYNJKONQBGI-QJPTWQEYSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192702099 790779172 /nfs/dbraw/zinc/77/91/72/790779172.db2.gz IZPWETKFWBDXIT-GHMZBOCLSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192702099 790779165 /nfs/dbraw/zinc/77/91/65/790779165.db2.gz IZPWETKFWBDXIT-GHMZBOCLSA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751550 790784995 /nfs/dbraw/zinc/78/49/95/790784995.db2.gz AITBTAPGCFRDCZ-MVWJERBFSA-N 1 2 336.396 -1.492 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751550 790784992 /nfs/dbraw/zinc/78/49/92/790784992.db2.gz AITBTAPGCFRDCZ-MVWJERBFSA-N 1 2 336.396 -1.492 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751551 790784848 /nfs/dbraw/zinc/78/48/48/790784848.db2.gz AITBTAPGCFRDCZ-YUSALJHKSA-N 1 2 336.396 -1.492 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751551 790784842 /nfs/dbraw/zinc/78/48/42/790784842.db2.gz AITBTAPGCFRDCZ-YUSALJHKSA-N 1 2 336.396 -1.492 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751648 790786142 /nfs/dbraw/zinc/78/61/42/790786142.db2.gz DYGNRFGTEIWZEK-MVWJERBFSA-N 1 2 334.380 -2.045 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751648 790786136 /nfs/dbraw/zinc/78/61/36/790786136.db2.gz DYGNRFGTEIWZEK-MVWJERBFSA-N 1 2 334.380 -2.045 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751649 790784799 /nfs/dbraw/zinc/78/47/99/790784799.db2.gz DYGNRFGTEIWZEK-YUSALJHKSA-N 1 2 334.380 -2.045 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192751649 790784792 /nfs/dbraw/zinc/78/47/92/790784792.db2.gz DYGNRFGTEIWZEK-YUSALJHKSA-N 1 2 334.380 -2.045 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192751673 790785137 /nfs/dbraw/zinc/78/51/37/790785137.db2.gz FZQLXUPSAXQWKY-ZIAGYGMSSA-N 1 2 343.449 -1.157 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192751673 790785134 /nfs/dbraw/zinc/78/51/34/790785134.db2.gz FZQLXUPSAXQWKY-ZIAGYGMSSA-N 1 2 343.449 -1.157 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192761720 790782960 /nfs/dbraw/zinc/78/29/60/790782960.db2.gz NNGAUWCVUZHUFB-CHWSQXEVSA-N 1 2 331.438 -1.302 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001192761720 790782954 /nfs/dbraw/zinc/78/29/54/790782954.db2.gz NNGAUWCVUZHUFB-CHWSQXEVSA-N 1 2 331.438 -1.302 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192779209 790783216 /nfs/dbraw/zinc/78/32/16/790783216.db2.gz OXBYICDCDLWYOQ-ZIAGYGMSSA-N 1 2 341.433 -1.403 20 30 EAEDLO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001192779209 790783207 /nfs/dbraw/zinc/78/32/07/790783207.db2.gz OXBYICDCDLWYOQ-ZIAGYGMSSA-N 1 2 341.433 -1.403 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001192805084 790786754 /nfs/dbraw/zinc/78/67/54/790786754.db2.gz RRYCQSGIDYWRPL-ZIAGYGMSSA-N 1 2 348.403 -1.595 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001192805084 790786748 /nfs/dbraw/zinc/78/67/48/790786748.db2.gz RRYCQSGIDYWRPL-ZIAGYGMSSA-N 1 2 348.403 -1.595 20 30 EAEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192813079 790788202 /nfs/dbraw/zinc/78/82/02/790788202.db2.gz DJAMHHVYBLQVDT-VXGBXAGGSA-N 1 2 336.392 -1.251 20 30 EAEDLO CC(C)(C)C#CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192813079 790788192 /nfs/dbraw/zinc/78/81/92/790788192.db2.gz DJAMHHVYBLQVDT-VXGBXAGGSA-N 1 2 336.392 -1.251 20 30 EAEDLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)S(C)(=O)=O ZINC001192821257 790787880 /nfs/dbraw/zinc/78/78/80/790787880.db2.gz JUIZVVYLAANGNX-CHWSQXEVSA-N 1 2 329.422 -1.548 20 30 EAEDLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)S(C)(=O)=O ZINC001192821257 790787871 /nfs/dbraw/zinc/78/78/71/790787871.db2.gz JUIZVVYLAANGNX-CHWSQXEVSA-N 1 2 329.422 -1.548 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192826090 790787424 /nfs/dbraw/zinc/78/74/24/790787424.db2.gz AFJSOINKHUYYHH-IACUBPJLSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192826090 790787416 /nfs/dbraw/zinc/78/74/16/790787416.db2.gz AFJSOINKHUYYHH-IACUBPJLSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192826091 790787988 /nfs/dbraw/zinc/78/79/88/790787988.db2.gz AFJSOINKHUYYHH-MRVWCRGKSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192826091 790787981 /nfs/dbraw/zinc/78/79/81/790787981.db2.gz AFJSOINKHUYYHH-MRVWCRGKSA-N 1 2 333.392 -1.738 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192835673 790789906 /nfs/dbraw/zinc/78/99/06/790789906.db2.gz QGMVHTBDMWAZFC-IACUBPJLSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192835673 790789901 /nfs/dbraw/zinc/78/99/01/790789901.db2.gz QGMVHTBDMWAZFC-IACUBPJLSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192835675 790789751 /nfs/dbraw/zinc/78/97/51/790789751.db2.gz QGMVHTBDMWAZFC-MRVWCRGKSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192835675 790789744 /nfs/dbraw/zinc/78/97/44/790789744.db2.gz QGMVHTBDMWAZFC-MRVWCRGKSA-N 1 2 335.408 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C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001193535170 790863312 /nfs/dbraw/zinc/86/33/12/790863312.db2.gz FHMBWTDXGSEGJW-IJLUTSLNSA-N 1 2 339.396 -2.136 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001193535170 790863297 /nfs/dbraw/zinc/86/32/97/790863297.db2.gz FHMBWTDXGSEGJW-IJLUTSLNSA-N 1 2 339.396 -2.136 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001193535686 790867656 /nfs/dbraw/zinc/86/76/56/790867656.db2.gz OOYMQVWTWIJFMI-CHWSQXEVSA-N 1 2 345.421 -2.167 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001193535686 790867646 /nfs/dbraw/zinc/86/76/46/790867646.db2.gz OOYMQVWTWIJFMI-CHWSQXEVSA-N 1 2 345.421 -2.167 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544077 790867395 /nfs/dbraw/zinc/86/73/95/790867395.db2.gz FTKXTXBJUHAQHH-GMTAPVOTSA-N 1 2 325.369 -2.785 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544077 790867392 /nfs/dbraw/zinc/86/73/92/790867392.db2.gz FTKXTXBJUHAQHH-GMTAPVOTSA-N 1 2 325.369 -2.785 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544078 790867994 /nfs/dbraw/zinc/86/79/94/790867994.db2.gz FTKXTXBJUHAQHH-HBNTYKKESA-N 1 2 325.369 -2.785 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544078 790867988 /nfs/dbraw/zinc/86/79/88/790867988.db2.gz FTKXTXBJUHAQHH-HBNTYKKESA-N 1 2 325.369 -2.785 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544472 790865622 /nfs/dbraw/zinc/86/56/22/790865622.db2.gz MVZDVWRZWULJCQ-GMTAPVOTSA-N 1 2 327.385 -2.233 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544472 790865614 /nfs/dbraw/zinc/86/56/14/790865614.db2.gz MVZDVWRZWULJCQ-GMTAPVOTSA-N 1 2 327.385 -2.233 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544483 790867799 /nfs/dbraw/zinc/86/77/99/790867799.db2.gz MVZDVWRZWULJCQ-HBNTYKKESA-N 1 2 327.385 -2.233 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544483 790867787 /nfs/dbraw/zinc/86/77/87/790867787.db2.gz MVZDVWRZWULJCQ-HBNTYKKESA-N 1 2 327.385 -2.233 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001193557692 790874409 /nfs/dbraw/zinc/87/44/09/790874409.db2.gz DCUNOUUTPLTGAR-CHWSQXEVSA-N 1 2 330.348 -1.222 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001193557692 790874402 /nfs/dbraw/zinc/87/44/02/790874402.db2.gz DCUNOUUTPLTGAR-CHWSQXEVSA-N 1 2 330.348 -1.222 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001193628800 790877566 /nfs/dbraw/zinc/87/75/66/790877566.db2.gz DQWOXUVVCDMPQE-BPLDGKMQSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001193628800 790877557 /nfs/dbraw/zinc/87/75/57/790877557.db2.gz DQWOXUVVCDMPQE-BPLDGKMQSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001193628801 790877898 /nfs/dbraw/zinc/87/78/98/790877898.db2.gz DQWOXUVVCDMPQE-NWANDNLSSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001193628801 790877889 /nfs/dbraw/zinc/87/78/89/790877889.db2.gz DQWOXUVVCDMPQE-NWANDNLSSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193661726 790877019 /nfs/dbraw/zinc/87/70/19/790877019.db2.gz CDWGHPQQMJKLRO-BFHYXJOUSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193661726 790877008 /nfs/dbraw/zinc/87/70/08/790877008.db2.gz CDWGHPQQMJKLRO-BFHYXJOUSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193661728 790878443 /nfs/dbraw/zinc/87/84/43/790878443.db2.gz CDWGHPQQMJKLRO-MGPQQGTHSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193661728 790878435 /nfs/dbraw/zinc/87/84/35/790878435.db2.gz CDWGHPQQMJKLRO-MGPQQGTHSA-N 1 2 348.407 -1.643 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193678045 790878229 /nfs/dbraw/zinc/87/82/29/790878229.db2.gz OFQKYKHDEDIATC-CHWSQXEVSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 ZINC001193678045 790878221 /nfs/dbraw/zinc/87/82/21/790878221.db2.gz OFQKYKHDEDIATC-CHWSQXEVSA-N 1 2 336.396 -1.478 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CCOCC1 ZINC001193718037 790883789 /nfs/dbraw/zinc/88/37/89/790883789.db2.gz BXJWWZZBSAGRQW-HZSPNIEDSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CCOCC1 ZINC001193718037 790883779 /nfs/dbraw/zinc/88/37/79/790883779.db2.gz BXJWWZZBSAGRQW-HZSPNIEDSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CCOCC1 ZINC001193718039 790883253 /nfs/dbraw/zinc/88/32/53/790883253.db2.gz BXJWWZZBSAGRQW-MGPQQGTHSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CCOCC1 ZINC001193718039 790883239 /nfs/dbraw/zinc/88/32/39/790883239.db2.gz BXJWWZZBSAGRQW-MGPQQGTHSA-N 1 2 335.404 -1.144 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001193719119 790882174 /nfs/dbraw/zinc/88/21/74/790882174.db2.gz ORDACEBVCOIYSI-JHJVBQTASA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001193719119 790882163 /nfs/dbraw/zinc/88/21/63/790882163.db2.gz ORDACEBVCOIYSI-JHJVBQTASA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001193719120 790882363 /nfs/dbraw/zinc/88/23/63/790882363.db2.gz ORDACEBVCOIYSI-YNEHKIRRSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001193719120 790882352 /nfs/dbraw/zinc/88/23/52/790882352.db2.gz ORDACEBVCOIYSI-YNEHKIRRSA-N 1 2 338.408 -1.634 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001193726819 790880432 /nfs/dbraw/zinc/88/04/32/790880432.db2.gz FNXGGTUSQHIGNC-LERXQTSPSA-N 1 2 334.376 -1.175 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001193726819 790880422 /nfs/dbraw/zinc/88/04/22/790880422.db2.gz FNXGGTUSQHIGNC-LERXQTSPSA-N 1 2 334.376 -1.175 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001193726820 790880204 /nfs/dbraw/zinc/88/02/04/790880204.db2.gz FNXGGTUSQHIGNC-ZLKJLUDKSA-N 1 2 334.376 -1.175 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001193726820 790880200 /nfs/dbraw/zinc/88/02/00/790880200.db2.gz FNXGGTUSQHIGNC-ZLKJLUDKSA-N 1 2 334.376 -1.175 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001193727115 790879338 /nfs/dbraw/zinc/87/93/38/790879338.db2.gz IIVXVNFHETUNQY-HUUCEWRRSA-N 1 2 333.392 -1.033 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001193727115 790879333 /nfs/dbraw/zinc/87/93/33/790879333.db2.gz IIVXVNFHETUNQY-HUUCEWRRSA-N 1 2 333.392 -1.033 20 30 EAEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(=O)n3[nH]c(N)nc3n2)CC1 ZINC001193773538 790881786 /nfs/dbraw/zinc/88/17/86/790881786.db2.gz RFYNELWIBYVGNN-UHFFFAOYSA-N 1 2 329.364 -1.039 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001193799138 790887433 /nfs/dbraw/zinc/88/74/33/790887433.db2.gz NZXXLEPSUNZWBG-CHWSQXEVSA-N 1 2 325.365 -2.344 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001193799138 790887423 /nfs/dbraw/zinc/88/74/23/790887423.db2.gz NZXXLEPSUNZWBG-CHWSQXEVSA-N 1 2 325.365 -2.344 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001193805361 790893615 /nfs/dbraw/zinc/89/36/15/790893615.db2.gz NBNOVJCTOOVOJM-CHWSQXEVSA-N 1 2 330.348 -1.222 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001193805361 790893602 /nfs/dbraw/zinc/89/36/02/790893602.db2.gz NBNOVJCTOOVOJM-CHWSQXEVSA-N 1 2 330.348 -1.222 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001193821560 790892945 /nfs/dbraw/zinc/89/29/45/790892945.db2.gz NUBUMGGWHGLBGT-BPLDGKMQSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001193821560 790892936 /nfs/dbraw/zinc/89/29/36/790892936.db2.gz NUBUMGGWHGLBGT-BPLDGKMQSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001193821561 790893023 /nfs/dbraw/zinc/89/30/23/790893023.db2.gz NUBUMGGWHGLBGT-NWANDNLSSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001193821561 790893020 /nfs/dbraw/zinc/89/30/20/790893020.db2.gz NUBUMGGWHGLBGT-NWANDNLSSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001193849091 790896110 /nfs/dbraw/zinc/89/61/10/790896110.db2.gz GLNBIVAQYWKJHB-QLFBSQMISA-N 1 2 332.404 -2.005 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001193849091 790896097 /nfs/dbraw/zinc/89/60/97/790896097.db2.gz GLNBIVAQYWKJHB-QLFBSQMISA-N 1 2 332.404 -2.005 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001193849648 790895453 /nfs/dbraw/zinc/89/54/53/790895453.db2.gz MSYCCHZZJYXDGH-GRYCIOLGSA-N 1 2 337.380 -2.560 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001193849648 790895445 /nfs/dbraw/zinc/89/54/45/790895445.db2.gz MSYCCHZZJYXDGH-GRYCIOLGSA-N 1 2 337.380 -2.560 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O ZINC001193849892 790896871 /nfs/dbraw/zinc/89/68/71/790896871.db2.gz QFBNISDIGRAGHU-QLFBSQMISA-N 1 2 336.436 -1.229 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O ZINC001193849892 790896859 /nfs/dbraw/zinc/89/68/59/790896859.db2.gz QFBNISDIGRAGHU-QLFBSQMISA-N 1 2 336.436 -1.229 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O ZINC001193866351 790894305 /nfs/dbraw/zinc/89/43/05/790894305.db2.gz BOVGHMXSDSTCQS-HZSPNIEDSA-N 1 2 333.392 -2.115 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O ZINC001193866351 790894302 /nfs/dbraw/zinc/89/43/02/790894302.db2.gz BOVGHMXSDSTCQS-HZSPNIEDSA-N 1 2 333.392 -2.115 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1O ZINC001193866370 790894942 /nfs/dbraw/zinc/89/49/42/790894942.db2.gz CKNLWEHJRAHXDF-QLFBSQMISA-N 1 2 334.420 -1.453 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1O ZINC001193866370 790894929 /nfs/dbraw/zinc/89/49/29/790894929.db2.gz CKNLWEHJRAHXDF-QLFBSQMISA-N 1 2 334.420 -1.453 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O ZINC001193866714 790893997 /nfs/dbraw/zinc/89/39/97/790893997.db2.gz PUTCWTPOUAIRKF-OWCLPIDISA-N 1 2 348.447 -1.229 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O ZINC001193866714 790893987 /nfs/dbraw/zinc/89/39/87/790893987.db2.gz PUTCWTPOUAIRKF-OWCLPIDISA-N 1 2 348.447 -1.229 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O ZINC001193866729 790895317 /nfs/dbraw/zinc/89/53/17/790895317.db2.gz QSRBAGUWJOYYHD-QLFBSQMISA-N 1 2 336.436 -1.276 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O ZINC001193866729 790895303 /nfs/dbraw/zinc/89/53/03/790895303.db2.gz QSRBAGUWJOYYHD-QLFBSQMISA-N 1 2 336.436 -1.276 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O ZINC001193866838 790896068 /nfs/dbraw/zinc/89/60/68/790896068.db2.gz WGMLVYVCKJTOIU-QLFBSQMISA-N 1 2 336.436 -1.230 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O ZINC001193866838 790896050 /nfs/dbraw/zinc/89/60/50/790896050.db2.gz WGMLVYVCKJTOIU-QLFBSQMISA-N 1 2 336.436 -1.230 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875081 790898418 /nfs/dbraw/zinc/89/84/18/790898418.db2.gz CFKKISJCFJECLO-CYZMBNFOSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875081 790898404 /nfs/dbraw/zinc/89/84/04/790898404.db2.gz CFKKISJCFJECLO-CYZMBNFOSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875082 790898378 /nfs/dbraw/zinc/89/83/78/790898378.db2.gz CFKKISJCFJECLO-RAIGVLPGSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875082 790898365 /nfs/dbraw/zinc/89/83/65/790898365.db2.gz CFKKISJCFJECLO-RAIGVLPGSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001193875372 790899905 /nfs/dbraw/zinc/89/99/05/790899905.db2.gz QWTFDNMHMSNTFP-IACUBPJLSA-N 1 2 347.419 -1.186 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001193875372 790899893 /nfs/dbraw/zinc/89/98/93/790899893.db2.gz QWTFDNMHMSNTFP-IACUBPJLSA-N 1 2 347.419 -1.186 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001193875373 790899162 /nfs/dbraw/zinc/89/91/62/790899162.db2.gz QWTFDNMHMSNTFP-MRVWCRGKSA-N 1 2 347.419 -1.186 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001193875373 790899149 /nfs/dbraw/zinc/89/91/49/790899149.db2.gz QWTFDNMHMSNTFP-MRVWCRGKSA-N 1 2 347.419 -1.186 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875400 790897705 /nfs/dbraw/zinc/89/77/05/790897705.db2.gz SBLZXRIGEMVULK-CYZMBNFOSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875400 790897689 /nfs/dbraw/zinc/89/76/89/790897689.db2.gz SBLZXRIGEMVULK-CYZMBNFOSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875401 790899667 /nfs/dbraw/zinc/89/96/67/790899667.db2.gz SBLZXRIGEMVULK-RAIGVLPGSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875401 790899653 /nfs/dbraw/zinc/89/96/53/790899653.db2.gz SBLZXRIGEMVULK-RAIGVLPGSA-N 1 2 349.391 -1.754 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001193893104 790901084 /nfs/dbraw/zinc/90/10/84/790901084.db2.gz ZQRGQCVWRMOBJC-TZMCWYRMSA-N 1 2 334.376 -1.162 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001193893104 790901077 /nfs/dbraw/zinc/90/10/77/790901077.db2.gz ZQRGQCVWRMOBJC-TZMCWYRMSA-N 1 2 334.376 -1.162 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001193940676 790901270 /nfs/dbraw/zinc/90/12/70/790901270.db2.gz BDFHNTPARHALFS-CYZMBNFOSA-N 1 2 336.417 -1.015 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001193940676 790901262 /nfs/dbraw/zinc/90/12/62/790901262.db2.gz BDFHNTPARHALFS-CYZMBNFOSA-N 1 2 336.417 -1.015 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001193940681 790901109 /nfs/dbraw/zinc/90/11/09/790901109.db2.gz BDFHNTPARHALFS-RAIGVLPGSA-N 1 2 336.417 -1.015 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001193940681 790901104 /nfs/dbraw/zinc/90/11/04/790901104.db2.gz BDFHNTPARHALFS-RAIGVLPGSA-N 1 2 336.417 -1.015 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)C1=O ZINC001193941288 790899944 /nfs/dbraw/zinc/89/99/44/790899944.db2.gz PKZOCLJVHSIGPH-GRYCIOLGSA-N 1 2 338.408 -1.554 20 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C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193952538 790908134 /nfs/dbraw/zinc/90/81/34/790908134.db2.gz ALLPPFMZACMELC-HBNTYKKESA-N 1 2 326.397 -1.650 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193952538 790908125 /nfs/dbraw/zinc/90/81/25/790908125.db2.gz ALLPPFMZACMELC-HBNTYKKESA-N 1 2 326.397 -1.650 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961201 790907166 /nfs/dbraw/zinc/90/71/66/790907166.db2.gz MDHZEMRZFJCIMH-GMTAPVOTSA-N 1 2 335.364 -1.663 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961201 790907158 /nfs/dbraw/zinc/90/71/58/790907158.db2.gz MDHZEMRZFJCIMH-GMTAPVOTSA-N 1 2 335.364 -1.663 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961202 790908929 /nfs/dbraw/zinc/90/89/29/790908929.db2.gz MDHZEMRZFJCIMH-HBNTYKKESA-N 1 2 335.364 -1.663 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961202 790908914 /nfs/dbraw/zinc/90/89/14/790908914.db2.gz MDHZEMRZFJCIMH-HBNTYKKESA-N 1 2 335.364 -1.663 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961763 790910679 /nfs/dbraw/zinc/91/06/79/790910679.db2.gz XKCCMYAOUHIQGZ-GMTAPVOTSA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961763 790910670 /nfs/dbraw/zinc/91/06/70/790910670.db2.gz XKCCMYAOUHIQGZ-GMTAPVOTSA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961765 790910905 /nfs/dbraw/zinc/91/09/05/790910905.db2.gz XKCCMYAOUHIQGZ-HBNTYKKESA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961765 790910896 /nfs/dbraw/zinc/91/08/96/790910896.db2.gz XKCCMYAOUHIQGZ-HBNTYKKESA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193969878 790911189 /nfs/dbraw/zinc/91/11/89/790911189.db2.gz BTUOSXMDYKUTHP-MVWJERBFSA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193969878 790911179 /nfs/dbraw/zinc/91/11/79/790911179.db2.gz BTUOSXMDYKUTHP-MVWJERBFSA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193969879 790910849 /nfs/dbraw/zinc/91/08/49/790910849.db2.gz BTUOSXMDYKUTHP-YUSALJHKSA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193969879 790910843 /nfs/dbraw/zinc/91/08/43/790910843.db2.gz BTUOSXMDYKUTHP-YUSALJHKSA-N 1 2 335.364 -1.352 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193970672 790910878 /nfs/dbraw/zinc/91/08/78/790910878.db2.gz LSUKIUOGSUVLGE-MVWJERBFSA-N 1 2 333.348 -1.905 20 30 EAEDLO 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C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001195272393 791000847 /nfs/dbraw/zinc/00/08/47/791000847.db2.gz UCPXBWMVCJZOSM-CKYFFXLPSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001195272396 791001147 /nfs/dbraw/zinc/00/11/47/791001147.db2.gz UCPXBWMVCJZOSM-HOSYDEDBSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001195272396 791001130 /nfs/dbraw/zinc/00/11/30/791001130.db2.gz UCPXBWMVCJZOSM-HOSYDEDBSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195363938 791009999 /nfs/dbraw/zinc/00/99/99/791009999.db2.gz HGNJPGKWSQXQOZ-UHFFFAOYSA-N 1 2 325.369 -1.592 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195363938 791009983 /nfs/dbraw/zinc/00/99/83/791009983.db2.gz HGNJPGKWSQXQOZ-UHFFFAOYSA-N 1 2 325.369 -1.592 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC(N)=O)CC1 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791068411 /nfs/dbraw/zinc/06/84/11/791068411.db2.gz NCVXDSQIUMNNRV-NSHDSACASA-N 1 2 337.380 -1.579 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001196185092 791068406 /nfs/dbraw/zinc/06/84/06/791068406.db2.gz NCVXDSQIUMNNRV-NSHDSACASA-N 1 2 337.380 -1.579 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001196185454 791068299 /nfs/dbraw/zinc/06/82/99/791068299.db2.gz YMWJVPPGSCVAAK-NSHDSACASA-N 1 2 335.364 -2.132 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001196185454 791068289 /nfs/dbraw/zinc/06/82/89/791068289.db2.gz YMWJVPPGSCVAAK-NSHDSACASA-N 1 2 335.364 -2.132 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001196191366 791070060 /nfs/dbraw/zinc/07/00/60/791070060.db2.gz DOJPBZXRLADVHG-UHFFFAOYSA-N 1 2 331.376 -1.322 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001196191366 791070054 /nfs/dbraw/zinc/07/00/54/791070054.db2.gz DOJPBZXRLADVHG-UHFFFAOYSA-N 1 2 331.376 -1.322 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QSOQKGJCOUTQNO-HBNTYKKESA-N 1 2 327.385 -2.103 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198500848 791216895 /nfs/dbraw/zinc/21/68/95/791216895.db2.gz QSOQKGJCOUTQNO-HBNTYKKESA-N 1 2 327.385 -2.103 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198501351 791218492 /nfs/dbraw/zinc/21/84/92/791218492.db2.gz YAZLJUIRMAADNA-IJLUTSLNSA-N 1 2 338.364 -2.214 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198501351 791218479 /nfs/dbraw/zinc/21/84/79/791218479.db2.gz YAZLJUIRMAADNA-IJLUTSLNSA-N 1 2 338.364 -2.214 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198501352 791216945 /nfs/dbraw/zinc/21/69/45/791216945.db2.gz YAZLJUIRMAADNA-QJPTWQEYSA-N 1 2 338.364 -2.214 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198501352 791216937 /nfs/dbraw/zinc/21/69/37/791216937.db2.gz YAZLJUIRMAADNA-QJPTWQEYSA-N 1 2 338.364 -2.214 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513383 791222528 /nfs/dbraw/zinc/22/25/28/791222528.db2.gz HWDIWHQDBMWSCJ-BFHYXJOUSA-N 1 2 348.403 -1.300 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513383 791222517 /nfs/dbraw/zinc/22/25/17/791222517.db2.gz HWDIWHQDBMWSCJ-BFHYXJOUSA-N 1 2 348.403 -1.300 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513385 791221264 /nfs/dbraw/zinc/22/12/64/791221264.db2.gz HWDIWHQDBMWSCJ-MGPQQGTHSA-N 1 2 348.403 -1.300 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198513385 791221258 /nfs/dbraw/zinc/22/12/58/791221258.db2.gz HWDIWHQDBMWSCJ-MGPQQGTHSA-N 1 2 348.403 -1.300 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514057 791222187 /nfs/dbraw/zinc/22/21/87/791222187.db2.gz OHPKCNDVUFBXON-BFHYXJOUSA-N 1 2 346.387 -1.853 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514057 791222184 /nfs/dbraw/zinc/22/21/84/791222184.db2.gz OHPKCNDVUFBXON-BFHYXJOUSA-N 1 2 346.387 -1.853 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514058 791222105 /nfs/dbraw/zinc/22/21/05/791222105.db2.gz OHPKCNDVUFBXON-MGPQQGTHSA-N 1 2 346.387 -1.853 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001198514058 791222102 /nfs/dbraw/zinc/22/21/02/791222102.db2.gz OHPKCNDVUFBXON-MGPQQGTHSA-N 1 2 346.387 -1.853 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001198550396 791222922 /nfs/dbraw/zinc/22/29/22/791222922.db2.gz DJKYAHRDXNBRMN-BPLDGKMQSA-N 1 2 347.419 -1.132 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001198550396 791222911 /nfs/dbraw/zinc/22/29/11/791222911.db2.gz DJKYAHRDXNBRMN-BPLDGKMQSA-N 1 2 347.419 -1.132 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001198550397 791221322 /nfs/dbraw/zinc/22/13/22/791221322.db2.gz DJKYAHRDXNBRMN-NWANDNLSSA-N 1 2 347.419 -1.132 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001198550397 791221316 /nfs/dbraw/zinc/22/13/16/791221316.db2.gz DJKYAHRDXNBRMN-NWANDNLSSA-N 1 2 347.419 -1.132 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198586815 791224770 /nfs/dbraw/zinc/22/47/70/791224770.db2.gz FWMXOLDPTDKIOF-CHWSQXEVSA-N 1 2 325.409 -1.040 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198586815 791224758 /nfs/dbraw/zinc/22/47/58/791224758.db2.gz FWMXOLDPTDKIOF-CHWSQXEVSA-N 1 2 325.409 -1.040 20 30 EAEDLO COc1ccccc1[C@@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)NCC#N ZINC001198629256 791223540 /nfs/dbraw/zinc/22/35/40/791223540.db2.gz WSGSAMOTBFPRPK-GFCCVEGCSA-N 1 2 347.375 -1.043 20 30 EAEDLO COc1ccccc1[C@H](CNC(=O)CC(N)=O)[NH2+]CC(=O)NCC#N ZINC001198629257 791223305 /nfs/dbraw/zinc/22/33/05/791223305.db2.gz WSGSAMOTBFPRPK-LBPRGKRZSA-N 1 2 347.375 -1.043 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001198631219 791223505 /nfs/dbraw/zinc/22/35/05/791223505.db2.gz VKGNOJKEKMWBKL-VXGBXAGGSA-N 1 2 336.348 -2.089 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001198631219 791223497 /nfs/dbraw/zinc/22/34/97/791223497.db2.gz VKGNOJKEKMWBKL-VXGBXAGGSA-N 1 2 336.348 -2.089 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001198661137 791225831 /nfs/dbraw/zinc/22/58/31/791225831.db2.gz BSBRDGBYBBGAOG-CHWSQXEVSA-N 1 2 344.375 -1.522 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001198661137 791225822 /nfs/dbraw/zinc/22/58/22/791225822.db2.gz BSBRDGBYBBGAOG-CHWSQXEVSA-N 1 2 344.375 -1.522 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198680430 791228572 /nfs/dbraw/zinc/22/85/72/791228572.db2.gz NZJQKTOVRLDEOG-OASPWFOLSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198680430 791228567 /nfs/dbraw/zinc/22/85/67/791228567.db2.gz NZJQKTOVRLDEOG-OASPWFOLSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198680431 791228880 /nfs/dbraw/zinc/22/88/80/791228880.db2.gz NZJQKTOVRLDEOG-ZWKOPEQDSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198680431 791228876 /nfs/dbraw/zinc/22/88/76/791228876.db2.gz NZJQKTOVRLDEOG-ZWKOPEQDSA-N 1 2 349.391 -1.421 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198681369 791228156 /nfs/dbraw/zinc/22/81/56/791228156.db2.gz ZISNRPOTRRTZHL-OASPWFOLSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198681369 791228150 /nfs/dbraw/zinc/22/81/50/791228150.db2.gz ZISNRPOTRRTZHL-OASPWFOLSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198681374 791228378 /nfs/dbraw/zinc/22/83/78/791228378.db2.gz ZISNRPOTRRTZHL-ZWKOPEQDSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198681374 791228367 /nfs/dbraw/zinc/22/83/67/791228367.db2.gz ZISNRPOTRRTZHL-ZWKOPEQDSA-N 1 2 347.375 -1.974 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198706349 791232360 /nfs/dbraw/zinc/23/23/60/791232360.db2.gz FVTVYPNOKNXBDH-IJLUTSLNSA-N 1 2 331.394 -2.511 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198706349 791232355 /nfs/dbraw/zinc/23/23/55/791232355.db2.gz FVTVYPNOKNXBDH-IJLUTSLNSA-N 1 2 331.394 -2.511 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198706351 791232296 /nfs/dbraw/zinc/23/22/96/791232296.db2.gz FVTVYPNOKNXBDH-QJPTWQEYSA-N 1 2 331.394 -2.511 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198706351 791232291 /nfs/dbraw/zinc/23/22/91/791232291.db2.gz FVTVYPNOKNXBDH-QJPTWQEYSA-N 1 2 331.394 -2.511 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001198714698 791234054 /nfs/dbraw/zinc/23/40/54/791234054.db2.gz ROVJAKMYJJGPPZ-ZIAGYGMSSA-N 1 2 332.360 -1.395 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001198714698 791234046 /nfs/dbraw/zinc/23/40/46/791234046.db2.gz ROVJAKMYJJGPPZ-ZIAGYGMSSA-N 1 2 332.360 -1.395 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001198735947 791230114 /nfs/dbraw/zinc/23/01/14/791230114.db2.gz BEWNWJZKAWHTON-CHWSQXEVSA-N 1 2 338.408 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001198735947 791230107 /nfs/dbraw/zinc/23/01/07/791230107.db2.gz BEWNWJZKAWHTON-CHWSQXEVSA-N 1 2 338.408 -1.538 20 30 EAEDLO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001198753519 791234502 /nfs/dbraw/zinc/23/45/02/791234502.db2.gz IHZWREFMMOLMLD-BFHYXJOUSA-N 1 2 325.409 -1.040 20 30 EAEDLO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001198753519 791234492 /nfs/dbraw/zinc/23/44/92/791234492.db2.gz IHZWREFMMOLMLD-BFHYXJOUSA-N 1 2 325.409 -1.040 20 30 EAEDLO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001198753520 791234085 /nfs/dbraw/zinc/23/40/85/791234085.db2.gz IHZWREFMMOLMLD-MGPQQGTHSA-N 1 2 325.409 -1.040 20 30 EAEDLO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001198753520 791234079 /nfs/dbraw/zinc/23/40/79/791234079.db2.gz IHZWREFMMOLMLD-MGPQQGTHSA-N 1 2 325.409 -1.040 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cccn2)C1 ZINC001198753591 791233543 /nfs/dbraw/zinc/23/35/43/791233543.db2.gz JSUKYWGDFQBYDN-RBSFLKMASA-N 1 2 347.419 -1.038 20 30 EAEDLO 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C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](OC)C1 ZINC001211797948 785441781 /nfs/dbraw/zinc/44/17/81/785441781.db2.gz RBYQLCXWNSBUTK-CYZMBNFOSA-N 1 2 347.375 -1.251 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](OC)C1 ZINC001211797949 785441903 /nfs/dbraw/zinc/44/19/03/785441903.db2.gz RBYQLCXWNSBUTK-RAIGVLPGSA-N 1 2 347.375 -1.251 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](OC)C1 ZINC001211797949 785441899 /nfs/dbraw/zinc/44/18/99/785441899.db2.gz RBYQLCXWNSBUTK-RAIGVLPGSA-N 1 2 347.375 -1.251 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](OC)C1 ZINC001211813628 785444128 /nfs/dbraw/zinc/44/41/28/785444128.db2.gz FVKSDKZKTZLQIC-VXGBXAGGSA-N 1 2 335.364 -1.087 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](OC)C1 ZINC001211813628 785444122 /nfs/dbraw/zinc/44/41/22/785444122.db2.gz FVKSDKZKTZLQIC-VXGBXAGGSA-N 1 2 335.364 -1.087 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 ZINC001211813740 785444948 /nfs/dbraw/zinc/44/49/48/785444948.db2.gz IZLJVSRCOHFLST-BPLDGKMQSA-N 1 2 346.387 -1.113 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 ZINC001211813740 785444944 /nfs/dbraw/zinc/44/49/44/785444944.db2.gz IZLJVSRCOHFLST-BPLDGKMQSA-N 1 2 346.387 -1.113 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 ZINC001211813741 785444265 /nfs/dbraw/zinc/44/42/65/785444265.db2.gz IZLJVSRCOHFLST-NWANDNLSSA-N 1 2 346.387 -1.113 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 ZINC001211813741 785444260 /nfs/dbraw/zinc/44/42/60/785444260.db2.gz IZLJVSRCOHFLST-NWANDNLSSA-N 1 2 346.387 -1.113 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@H](OC)C1 ZINC001211813823 785444610 /nfs/dbraw/zinc/44/46/10/785444610.db2.gz KXZLMGFXZNBVOG-CYZMBNFOSA-N 1 2 326.397 -1.371 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@H](OC)C1 ZINC001211813823 785444606 /nfs/dbraw/zinc/44/46/06/785444606.db2.gz KXZLMGFXZNBVOG-CYZMBNFOSA-N 1 2 326.397 -1.371 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@H](OC)C1 ZINC001211813824 785444302 /nfs/dbraw/zinc/44/43/02/785444302.db2.gz KXZLMGFXZNBVOG-RAIGVLPGSA-N 1 2 326.397 -1.371 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@H](OC)C1 ZINC001211813824 785444298 /nfs/dbraw/zinc/44/42/98/785444298.db2.gz KXZLMGFXZNBVOG-RAIGVLPGSA-N 1 2 326.397 -1.371 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 ZINC001211824916 785451252 /nfs/dbraw/zinc/45/12/52/785451252.db2.gz CZJYQVPQRLHUPK-IACUBPJLSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 ZINC001211824916 785451246 /nfs/dbraw/zinc/45/12/46/785451246.db2.gz CZJYQVPQRLHUPK-IACUBPJLSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 ZINC001211824920 785451720 /nfs/dbraw/zinc/45/17/20/785451720.db2.gz CZJYQVPQRLHUPK-MRVWCRGKSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 ZINC001211824920 785451714 /nfs/dbraw/zinc/45/17/14/785451714.db2.gz CZJYQVPQRLHUPK-MRVWCRGKSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825012 785452008 /nfs/dbraw/zinc/45/20/08/785452008.db2.gz DNOGHMCKDZRLGG-IJLUTSLNSA-N 1 2 335.368 -2.374 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825012 785451999 /nfs/dbraw/zinc/45/19/99/785451999.db2.gz DNOGHMCKDZRLGG-IJLUTSLNSA-N 1 2 335.368 -2.374 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825013 785451510 /nfs/dbraw/zinc/45/15/10/785451510.db2.gz DNOGHMCKDZRLGG-QJPTWQEYSA-N 1 2 335.368 -2.374 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825013 785451507 /nfs/dbraw/zinc/45/15/07/785451507.db2.gz DNOGHMCKDZRLGG-QJPTWQEYSA-N 1 2 335.368 -2.374 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825141 785452047 /nfs/dbraw/zinc/45/20/47/785452047.db2.gz HMRWRPLIHWUYAW-IJLUTSLNSA-N 1 2 337.384 -1.821 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825141 785452042 /nfs/dbraw/zinc/45/20/42/785452042.db2.gz HMRWRPLIHWUYAW-IJLUTSLNSA-N 1 2 337.384 -1.821 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825278 785451836 /nfs/dbraw/zinc/45/18/36/785451836.db2.gz HMRWRPLIHWUYAW-QJPTWQEYSA-N 1 2 337.384 -1.821 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211825278 785451828 /nfs/dbraw/zinc/45/18/28/785451828.db2.gz HMRWRPLIHWUYAW-QJPTWQEYSA-N 1 2 337.384 -1.821 20 30 EAEDLO 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C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@H](OC)C1 ZINC001211864437 785632516 /nfs/dbraw/zinc/63/25/16/785632516.db2.gz HSRBWMFJQOVYBT-ZIAGYGMSSA-N 1 2 333.392 -1.162 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 ZINC001211867351 785633711 /nfs/dbraw/zinc/63/37/11/785633711.db2.gz RHZGDMAWHZGPHL-BFHYXJOUSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 ZINC001211867351 785633704 /nfs/dbraw/zinc/63/37/04/785633704.db2.gz RHZGDMAWHZGPHL-BFHYXJOUSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 ZINC001211867352 785633829 /nfs/dbraw/zinc/63/38/29/785633829.db2.gz RHZGDMAWHZGPHL-MGPQQGTHSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 ZINC001211867352 785633821 /nfs/dbraw/zinc/63/38/21/785633821.db2.gz RHZGDMAWHZGPHL-MGPQQGTHSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 ZINC001211871236 785635194 /nfs/dbraw/zinc/63/51/94/785635194.db2.gz CKALXZDOUHRVPV-CHWSQXEVSA-N 1 2 334.380 -1.767 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 ZINC001211871236 785635190 /nfs/dbraw/zinc/63/51/90/785635190.db2.gz CKALXZDOUHRVPV-CHWSQXEVSA-N 1 2 334.380 -1.767 20 30 EAEDLO CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CSCC#N ZINC001211886508 785667708 /nfs/dbraw/zinc/66/77/08/785667708.db2.gz LTBOSLWINTYQPG-GMTAPVOTSA-N 1 2 340.405 -1.136 20 30 EAEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CSCC#N ZINC001211886508 785667694 /nfs/dbraw/zinc/66/76/94/785667694.db2.gz LTBOSLWINTYQPG-GMTAPVOTSA-N 1 2 340.405 -1.136 20 30 EAEDLO CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CSCC#N ZINC001211886509 785668091 /nfs/dbraw/zinc/66/80/91/785668091.db2.gz LTBOSLWINTYQPG-OUAUKWLOSA-N 1 2 340.405 -1.136 20 30 EAEDLO CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CSCC#N ZINC001211886509 785668086 /nfs/dbraw/zinc/66/80/86/785668086.db2.gz LTBOSLWINTYQPG-OUAUKWLOSA-N 1 2 340.405 -1.136 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211891324 785702561 /nfs/dbraw/zinc/70/25/61/785702561.db2.gz IZFRNRJZSDLNJA-CHWSQXEVSA-N 1 2 326.397 -1.418 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211891324 785702558 /nfs/dbraw/zinc/70/25/58/785702558.db2.gz IZFRNRJZSDLNJA-CHWSQXEVSA-N 1 2 326.397 -1.418 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901041 785731719 /nfs/dbraw/zinc/73/17/19/785731719.db2.gz KOLXQNZWYLIHAX-IACUBPJLSA-N 1 2 340.424 -1.029 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901041 785731713 /nfs/dbraw/zinc/73/17/13/785731713.db2.gz KOLXQNZWYLIHAX-IACUBPJLSA-N 1 2 340.424 -1.029 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901105 785731762 /nfs/dbraw/zinc/73/17/62/785731762.db2.gz KOLXQNZWYLIHAX-MRVWCRGKSA-N 1 2 340.424 -1.029 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901105 785731760 /nfs/dbraw/zinc/73/17/60/785731760.db2.gz KOLXQNZWYLIHAX-MRVWCRGKSA-N 1 2 340.424 -1.029 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901295 785732185 /nfs/dbraw/zinc/73/21/85/785732185.db2.gz SDWBWOGOBRKXAI-IACUBPJLSA-N 1 2 338.408 -1.582 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901295 785732179 /nfs/dbraw/zinc/73/21/79/785732179.db2.gz SDWBWOGOBRKXAI-IACUBPJLSA-N 1 2 338.408 -1.582 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901296 785732222 /nfs/dbraw/zinc/73/22/22/785732222.db2.gz SDWBWOGOBRKXAI-MRVWCRGKSA-N 1 2 338.408 -1.582 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211901296 785732221 /nfs/dbraw/zinc/73/22/21/785732221.db2.gz SDWBWOGOBRKXAI-MRVWCRGKSA-N 1 2 338.408 -1.582 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](OC)C1 ZINC001211929421 785779868 /nfs/dbraw/zinc/77/98/68/785779868.db2.gz KOMVSZFUJMXIDL-CHWSQXEVSA-N 1 2 338.408 -1.370 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](OC)C1 ZINC001211929421 785779862 /nfs/dbraw/zinc/77/98/62/785779862.db2.gz KOMVSZFUJMXIDL-CHWSQXEVSA-N 1 2 338.408 -1.370 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939536 785780373 /nfs/dbraw/zinc/78/03/73/785780373.db2.gz VKLTYLDUZAJFBA-IJLUTSLNSA-N 1 2 342.396 -1.152 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939536 785780363 /nfs/dbraw/zinc/78/03/63/785780363.db2.gz VKLTYLDUZAJFBA-IJLUTSLNSA-N 1 2 342.396 -1.152 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939537 785781717 /nfs/dbraw/zinc/78/17/17/785781717.db2.gz VKLTYLDUZAJFBA-QJPTWQEYSA-N 1 2 342.396 -1.152 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939537 785781711 /nfs/dbraw/zinc/78/17/11/785781711.db2.gz VKLTYLDUZAJFBA-QJPTWQEYSA-N 1 2 342.396 -1.152 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939579 785781244 /nfs/dbraw/zinc/78/12/44/785781244.db2.gz WMWHRLFPYCGZRB-IJLUTSLNSA-N 1 2 340.380 -1.704 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939579 785781238 /nfs/dbraw/zinc/78/12/38/785781238.db2.gz WMWHRLFPYCGZRB-IJLUTSLNSA-N 1 2 340.380 -1.704 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939580 785781564 /nfs/dbraw/zinc/78/15/64/785781564.db2.gz WMWHRLFPYCGZRB-QJPTWQEYSA-N 1 2 340.380 -1.704 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211939580 785781560 /nfs/dbraw/zinc/78/15/60/785781560.db2.gz WMWHRLFPYCGZRB-QJPTWQEYSA-N 1 2 340.380 -1.704 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211944601 785781205 /nfs/dbraw/zinc/78/12/05/785781205.db2.gz FNSGKJIXAGMIRK-GHMZBOCLSA-N 1 2 328.369 -1.540 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211944601 785781200 /nfs/dbraw/zinc/78/12/00/785781200.db2.gz FNSGKJIXAGMIRK-GHMZBOCLSA-N 1 2 328.369 -1.540 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 ZINC001211992299 785786567 /nfs/dbraw/zinc/78/65/67/785786567.db2.gz ISZPDMDVYNALPY-BPLDGKMQSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 ZINC001211992299 785786560 /nfs/dbraw/zinc/78/65/60/785786560.db2.gz ISZPDMDVYNALPY-BPLDGKMQSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 ZINC001211992300 785786654 /nfs/dbraw/zinc/78/66/54/785786654.db2.gz ISZPDMDVYNALPY-NWANDNLSSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 ZINC001211992300 785786645 /nfs/dbraw/zinc/78/66/45/785786645.db2.gz ISZPDMDVYNALPY-NWANDNLSSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 ZINC001211994865 785786539 /nfs/dbraw/zinc/78/65/39/785786539.db2.gz MRMRRVSMTJIRBU-OUCADQQQSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 ZINC001211994865 785786535 /nfs/dbraw/zinc/78/65/35/785786535.db2.gz MRMRRVSMTJIRBU-OUCADQQQSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 ZINC001211994866 785786726 /nfs/dbraw/zinc/78/67/26/785786726.db2.gz MRMRRVSMTJIRBU-YRGRVCCFSA-N 1 2 333.392 -1.013 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 ZINC001211994866 785786720 /nfs/dbraw/zinc/78/67/20/785786720.db2.gz MRMRRVSMTJIRBU-YRGRVCCFSA-N 1 2 333.392 -1.013 20 30 EAEDLO 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ZUVGOLDFFVKTKH-QJPTWQEYSA-N 1 2 326.397 -1.371 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@H](OC)C1 ZINC001212164123 785863399 /nfs/dbraw/zinc/86/33/99/785863399.db2.gz ZUVGOLDFFVKTKH-QJPTWQEYSA-N 1 2 326.397 -1.371 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@H](OC)C1 ZINC001212166341 785869204 /nfs/dbraw/zinc/86/92/04/785869204.db2.gz ZGDRHGLMESXNBD-CHWSQXEVSA-N 1 2 339.392 -1.296 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@H](OC)C1 ZINC001212166341 785869202 /nfs/dbraw/zinc/86/92/02/785869202.db2.gz ZGDRHGLMESXNBD-CHWSQXEVSA-N 1 2 339.392 -1.296 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212168012 785870739 /nfs/dbraw/zinc/87/07/39/785870739.db2.gz NIIHWYOVMMLXPG-HBNTYKKESA-N 1 2 327.385 -1.839 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212168012 785870730 /nfs/dbraw/zinc/87/07/30/785870730.db2.gz NIIHWYOVMMLXPG-HBNTYKKESA-N 1 2 327.385 -1.839 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212172735 785895280 /nfs/dbraw/zinc/89/52/80/785895280.db2.gz PXQUUFNDLCALFH-CHWSQXEVSA-N 1 2 336.396 -1.214 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212172735 785895277 /nfs/dbraw/zinc/89/52/77/785895277.db2.gz PXQUUFNDLCALFH-CHWSQXEVSA-N 1 2 336.396 -1.214 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212172785 785895679 /nfs/dbraw/zinc/89/56/79/785895679.db2.gz RNVOPTOKJITIQB-CHWSQXEVSA-N 1 2 334.380 -1.767 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212172785 785895668 /nfs/dbraw/zinc/89/56/68/785895668.db2.gz RNVOPTOKJITIQB-CHWSQXEVSA-N 1 2 334.380 -1.767 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212180036 785787912 /nfs/dbraw/zinc/78/79/12/785787912.db2.gz GWUXXWFWMGPRRI-BFHYXJOUSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212180036 785787904 /nfs/dbraw/zinc/78/79/04/785787904.db2.gz GWUXXWFWMGPRRI-BFHYXJOUSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212180037 785788240 /nfs/dbraw/zinc/78/82/40/785788240.db2.gz GWUXXWFWMGPRRI-MGPQQGTHSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 ZINC001212180037 785788234 /nfs/dbraw/zinc/78/82/34/785788234.db2.gz GWUXXWFWMGPRRI-MGPQQGTHSA-N 1 2 348.407 -1.379 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 ZINC001212180122 785793593 /nfs/dbraw/zinc/79/35/93/785793593.db2.gz ITNQONSIWKISMX-ZIAGYGMSSA-N 1 2 333.392 -1.473 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 ZINC001212180122 785793590 /nfs/dbraw/zinc/79/35/90/785793590.db2.gz ITNQONSIWKISMX-ZIAGYGMSSA-N 1 2 333.392 -1.473 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 ZINC001212180384 785449129 /nfs/dbraw/zinc/44/91/29/785449129.db2.gz OAADCPOWUVKXNQ-BPLDGKMQSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 ZINC001212180384 785449126 /nfs/dbraw/zinc/44/91/26/785449126.db2.gz OAADCPOWUVKXNQ-BPLDGKMQSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 ZINC001212180385 785449397 /nfs/dbraw/zinc/44/93/97/785449397.db2.gz OAADCPOWUVKXNQ-NWANDNLSSA-N 1 2 347.419 -1.084 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 ZINC001212180385 785449393 /nfs/dbraw/zinc/44/93/93/785449393.db2.gz OAADCPOWUVKXNQ-NWANDNLSSA-N 1 2 347.419 -1.084 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](OC)C1 ZINC001212182359 785915515 /nfs/dbraw/zinc/91/55/15/785915515.db2.gz FAAISWSWUDHWRV-ZIAGYGMSSA-N 1 2 338.408 -1.418 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](OC)C1 ZINC001212182359 785915508 /nfs/dbraw/zinc/91/55/08/785915508.db2.gz FAAISWSWUDHWRV-ZIAGYGMSSA-N 1 2 338.408 -1.418 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 ZINC001212182788 785916928 /nfs/dbraw/zinc/91/69/28/785916928.db2.gz LVHJGUYHXKRAOU-BPLDGKMQSA-N 1 2 345.403 -1.028 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 ZINC001212182788 785916922 /nfs/dbraw/zinc/91/69/22/785916922.db2.gz LVHJGUYHXKRAOU-BPLDGKMQSA-N 1 2 345.403 -1.028 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 ZINC001212182792 785917073 /nfs/dbraw/zinc/91/70/73/785917073.db2.gz LVHJGUYHXKRAOU-NWANDNLSSA-N 1 2 345.403 -1.028 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 ZINC001212182792 785917067 /nfs/dbraw/zinc/91/70/67/785917067.db2.gz LVHJGUYHXKRAOU-NWANDNLSSA-N 1 2 345.403 -1.028 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001212193720 785945148 /nfs/dbraw/zinc/94/51/48/785945148.db2.gz JVZYPESVLGUZRB-BZPMIXESSA-N 1 2 349.453 -1.322 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C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213561901 793899104 /nfs/dbraw/zinc/89/91/04/793899104.db2.gz UOQMPHVZHKBTOW-JHJVBQTASA-N 1 2 336.392 -1.780 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213561901 793899100 /nfs/dbraw/zinc/89/91/00/793899100.db2.gz UOQMPHVZHKBTOW-JHJVBQTASA-N 1 2 336.392 -1.780 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213561902 793899344 /nfs/dbraw/zinc/89/93/44/793899344.db2.gz UOQMPHVZHKBTOW-YNEHKIRRSA-N 1 2 336.392 -1.780 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213561902 793899339 /nfs/dbraw/zinc/89/93/39/793899339.db2.gz UOQMPHVZHKBTOW-YNEHKIRRSA-N 1 2 336.392 -1.780 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](OC)C1 ZINC001213564024 793899319 /nfs/dbraw/zinc/89/93/19/793899319.db2.gz QQVRUYALMMVFFN-VXGBXAGGSA-N 1 2 338.408 -1.370 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](OC)C1 ZINC001213564024 793899308 /nfs/dbraw/zinc/89/93/08/793899308.db2.gz QQVRUYALMMVFFN-VXGBXAGGSA-N 1 2 338.408 -1.370 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213565124 793899852 /nfs/dbraw/zinc/89/98/52/793899852.db2.gz WDTBNYZGZLIKKC-JHJVBQTASA-N 1 2 338.408 -1.227 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213565124 793899846 /nfs/dbraw/zinc/89/98/46/793899846.db2.gz WDTBNYZGZLIKKC-JHJVBQTASA-N 1 2 338.408 -1.227 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213565125 793899525 /nfs/dbraw/zinc/89/95/25/793899525.db2.gz WDTBNYZGZLIKKC-YNEHKIRRSA-N 1 2 338.408 -1.227 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213565125 793899518 /nfs/dbraw/zinc/89/95/18/793899518.db2.gz WDTBNYZGZLIKKC-YNEHKIRRSA-N 1 2 338.408 -1.227 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 ZINC001213567019 793898613 /nfs/dbraw/zinc/89/86/13/793898613.db2.gz LDHARXLYHYHYDJ-CHWSQXEVSA-N 1 2 337.376 -1.496 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 ZINC001213567019 793898604 /nfs/dbraw/zinc/89/86/04/793898604.db2.gz LDHARXLYHYHYDJ-CHWSQXEVSA-N 1 2 337.376 -1.496 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](OC)C1 ZINC001213585701 793902903 /nfs/dbraw/zinc/90/29/03/793902903.db2.gz OWPHHZQYTRDBRY-CHWSQXEVSA-N 1 2 334.376 -1.235 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](OC)C1 ZINC001213585701 793902901 /nfs/dbraw/zinc/90/29/01/793902901.db2.gz OWPHHZQYTRDBRY-CHWSQXEVSA-N 1 2 334.376 -1.235 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 ZINC001213588337 793902188 /nfs/dbraw/zinc/90/21/88/793902188.db2.gz BDPKMFJAZJPVSD-VXGBXAGGSA-N 1 2 338.364 -1.997 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 ZINC001213588337 793902177 /nfs/dbraw/zinc/90/21/77/793902177.db2.gz BDPKMFJAZJPVSD-VXGBXAGGSA-N 1 2 338.364 -1.997 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@H](OC)C1 ZINC001213600411 793902990 /nfs/dbraw/zinc/90/29/90/793902990.db2.gz RTGZYJULGJSUHY-ZIAGYGMSSA-N 1 2 345.403 -1.026 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@H](OC)C1 ZINC001213600411 793902987 /nfs/dbraw/zinc/90/29/87/793902987.db2.gz RTGZYJULGJSUHY-ZIAGYGMSSA-N 1 2 345.403 -1.026 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213614393 793904575 /nfs/dbraw/zinc/90/45/75/793904575.db2.gz WDQXXAVTMJCEQG-VXGBXAGGSA-N 1 2 337.384 -1.819 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213614393 793904567 /nfs/dbraw/zinc/90/45/67/793904567.db2.gz WDQXXAVTMJCEQG-VXGBXAGGSA-N 1 2 337.384 -1.819 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 ZINC001213615965 793904481 /nfs/dbraw/zinc/90/44/81/793904481.db2.gz NBXLEAWYXFOJQI-JHJVBQTASA-N 1 2 333.392 -1.095 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 ZINC001213615965 793904472 /nfs/dbraw/zinc/90/44/72/793904472.db2.gz NBXLEAWYXFOJQI-JHJVBQTASA-N 1 2 333.392 -1.095 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 ZINC001213615966 793904074 /nfs/dbraw/zinc/90/40/74/793904074.db2.gz NBXLEAWYXFOJQI-YNEHKIRRSA-N 1 2 333.392 -1.095 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 ZINC001213615966 793904067 /nfs/dbraw/zinc/90/40/67/793904067.db2.gz NBXLEAWYXFOJQI-YNEHKIRRSA-N 1 2 333.392 -1.095 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213618489 793905099 /nfs/dbraw/zinc/90/50/99/793905099.db2.gz YKNPVPCUEPHSRX-VXGBXAGGSA-N 1 2 335.368 -2.372 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213618489 793905096 /nfs/dbraw/zinc/90/50/96/793905096.db2.gz YKNPVPCUEPHSRX-VXGBXAGGSA-N 1 2 335.368 -2.372 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213620555 793905212 /nfs/dbraw/zinc/90/52/12/793905212.db2.gz SPEJMVIYPCUGMX-JHJVBQTASA-N 1 2 349.395 -1.984 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213620555 793905207 /nfs/dbraw/zinc/90/52/07/793905207.db2.gz SPEJMVIYPCUGMX-JHJVBQTASA-N 1 2 349.395 -1.984 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213620557 793904134 /nfs/dbraw/zinc/90/41/34/793904134.db2.gz SPEJMVIYPCUGMX-YNEHKIRRSA-N 1 2 349.395 -1.984 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213620557 793904131 /nfs/dbraw/zinc/90/41/31/793904131.db2.gz SPEJMVIYPCUGMX-YNEHKIRRSA-N 1 2 349.395 -1.984 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@H](OC)C1 ZINC001213651237 793906914 /nfs/dbraw/zinc/90/69/14/793906914.db2.gz CFRIUMLYOJHAGK-IACUBPJLSA-N 1 2 349.391 -1.126 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@H](OC)C1 ZINC001213651237 793906910 /nfs/dbraw/zinc/90/69/10/793906910.db2.gz CFRIUMLYOJHAGK-IACUBPJLSA-N 1 2 349.391 -1.126 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@H](OC)C1 ZINC001213651243 793905992 /nfs/dbraw/zinc/90/59/92/793905992.db2.gz CFRIUMLYOJHAGK-MRVWCRGKSA-N 1 2 349.391 -1.126 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@H](OC)C1 ZINC001213651243 793905989 /nfs/dbraw/zinc/90/59/89/793905989.db2.gz CFRIUMLYOJHAGK-MRVWCRGKSA-N 1 2 349.391 -1.126 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@H](OC)C1 ZINC001213675940 793907973 /nfs/dbraw/zinc/90/79/73/793907973.db2.gz HUALETWJOXFGCV-ZIAGYGMSSA-N 1 2 348.407 -1.377 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@H](OC)C1 ZINC001213675940 793907970 /nfs/dbraw/zinc/90/79/70/793907970.db2.gz HUALETWJOXFGCV-ZIAGYGMSSA-N 1 2 348.407 -1.377 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@H](OC)C1 ZINC001213678904 793908142 /nfs/dbraw/zinc/90/81/42/793908142.db2.gz VMCAGHFKPPGGKC-HUUCEWRRSA-N 1 2 345.403 -1.026 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@H](OC)C1 ZINC001213678904 793908141 /nfs/dbraw/zinc/90/81/41/793908141.db2.gz VMCAGHFKPPGGKC-HUUCEWRRSA-N 1 2 345.403 -1.026 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001213679791 793907580 /nfs/dbraw/zinc/90/75/80/793907580.db2.gz IURSJNPRKMPXCD-JTQLQIEISA-N 1 2 326.378 -1.138 20 30 EAEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001213679791 793907572 /nfs/dbraw/zinc/90/75/72/793907572.db2.gz IURSJNPRKMPXCD-JTQLQIEISA-N 1 2 326.378 -1.138 20 30 EAEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001213679792 793907679 /nfs/dbraw/zinc/90/76/79/793907679.db2.gz IURSJNPRKMPXCD-SNVBAGLBSA-N 1 2 326.378 -1.138 20 30 EAEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001213679792 793907671 /nfs/dbraw/zinc/90/76/71/793907671.db2.gz IURSJNPRKMPXCD-SNVBAGLBSA-N 1 2 326.378 -1.138 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCCC(N)=O)[C@H](OC)C1 ZINC001213686589 793907500 /nfs/dbraw/zinc/90/75/00/793907500.db2.gz WFSKYFMDDGBPHN-CHWSQXEVSA-N 1 2 338.408 -1.403 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCC(N)=O)[C@H](OC)C1 ZINC001213686589 793907494 /nfs/dbraw/zinc/90/74/94/793907494.db2.gz WFSKYFMDDGBPHN-CHWSQXEVSA-N 1 2 338.408 -1.403 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 ZINC001213699893 793909718 /nfs/dbraw/zinc/90/97/18/793909718.db2.gz BOWWUQTZRQPZLW-IJLUTSLNSA-N 1 2 334.380 -1.700 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 ZINC001213699893 793909715 /nfs/dbraw/zinc/90/97/15/793909715.db2.gz BOWWUQTZRQPZLW-IJLUTSLNSA-N 1 2 334.380 -1.700 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 ZINC001213699894 793909760 /nfs/dbraw/zinc/90/97/60/793909760.db2.gz BOWWUQTZRQPZLW-QJPTWQEYSA-N 1 2 334.380 -1.700 20 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1 2 349.453 -1.056 20 30 EAEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213964441 793924000 /nfs/dbraw/zinc/92/40/00/793924000.db2.gz WVISQEOQPXOAQG-JHJVBQTASA-N 1 2 349.453 -1.058 20 30 EAEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213964441 793923996 /nfs/dbraw/zinc/92/39/96/793923996.db2.gz WVISQEOQPXOAQG-JHJVBQTASA-N 1 2 349.453 -1.058 20 30 EAEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213964442 793924760 /nfs/dbraw/zinc/92/47/60/793924760.db2.gz WVISQEOQPXOAQG-YNEHKIRRSA-N 1 2 349.453 -1.058 20 30 EAEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213964442 793924753 /nfs/dbraw/zinc/92/47/53/793924753.db2.gz WVISQEOQPXOAQG-YNEHKIRRSA-N 1 2 349.453 -1.058 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@H](OC)C1 ZINC001213968654 793924189 /nfs/dbraw/zinc/92/41/89/793924189.db2.gz MBPXCLUFECZQPE-ZIAGYGMSSA-N 1 2 341.408 -1.396 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@H](OC)C1 ZINC001213968654 793924178 /nfs/dbraw/zinc/92/41/78/793924178.db2.gz MBPXCLUFECZQPE-ZIAGYGMSSA-N 1 2 341.408 -1.396 20 30 EAEDLO C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979867 793924516 /nfs/dbraw/zinc/92/45/16/793924516.db2.gz NFFCYAKYYBLKRA-BFHYXJOUSA-N 1 2 333.392 -1.164 20 30 EAEDLO C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979868 793923952 /nfs/dbraw/zinc/92/39/52/793923952.db2.gz NFFCYAKYYBLKRA-MGPQQGTHSA-N 1 2 333.392 -1.164 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@H](OC)C1 ZINC001213981436 793923793 /nfs/dbraw/zinc/92/37/93/793923793.db2.gz FSGDDCOJCORRNX-JHJVBQTASA-N 1 2 338.408 -1.405 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@H](OC)C1 ZINC001213981436 793923787 /nfs/dbraw/zinc/92/37/87/793923787.db2.gz FSGDDCOJCORRNX-JHJVBQTASA-N 1 2 338.408 -1.405 20 30 EAEDLO 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ZINC001213981654 793924206 /nfs/dbraw/zinc/92/42/06/793924206.db2.gz KXYFRWAHSZSJOI-VXGBXAGGSA-N 1 2 326.397 -1.240 20 30 EAEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](OC)C1 ZINC001213994943 793926416 /nfs/dbraw/zinc/92/64/16/793926416.db2.gz IPHDQKFSQPSMPQ-ZIAGYGMSSA-N 1 2 348.407 -1.688 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](OC)C1 ZINC001213994943 793926410 /nfs/dbraw/zinc/92/64/10/793926410.db2.gz IPHDQKFSQPSMPQ-ZIAGYGMSSA-N 1 2 348.407 -1.688 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 ZINC001214001920 793926347 /nfs/dbraw/zinc/92/63/47/793926347.db2.gz NWGKQQABQLFAHB-JHJVBQTASA-N 1 2 337.376 -1.496 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 ZINC001214001920 793926339 /nfs/dbraw/zinc/92/63/39/793926339.db2.gz NWGKQQABQLFAHB-JHJVBQTASA-N 1 2 337.376 -1.496 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](OC)C1 ZINC001214001921 793926250 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C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217248471 793982009 /nfs/dbraw/zinc/98/20/09/793982009.db2.gz HYOQOLUHJQKBDO-FRRDWIJNSA-N 1 2 349.395 -1.725 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217248472 793982839 /nfs/dbraw/zinc/98/28/39/793982839.db2.gz HYOQOLUHJQKBDO-RWMBFGLXSA-N 1 2 349.395 -1.725 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217248472 793982833 /nfs/dbraw/zinc/98/28/33/793982833.db2.gz HYOQOLUHJQKBDO-RWMBFGLXSA-N 1 2 349.395 -1.725 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270452 793981912 /nfs/dbraw/zinc/98/19/12/793981912.db2.gz NWBSBOURRDJTMX-GRYCIOLGSA-N 1 2 337.380 -2.296 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270452 793981905 /nfs/dbraw/zinc/98/19/05/793981905.db2.gz NWBSBOURRDJTMX-GRYCIOLGSA-N 1 2 337.380 -2.296 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270453 793982174 /nfs/dbraw/zinc/98/21/74/793982174.db2.gz NWBSBOURRDJTMX-SDDRHHMPSA-N 1 2 337.380 -2.296 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270453 793982166 /nfs/dbraw/zinc/98/21/66/793982166.db2.gz NWBSBOURRDJTMX-SDDRHHMPSA-N 1 2 337.380 -2.296 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270614 793981608 /nfs/dbraw/zinc/98/16/08/793981608.db2.gz RKQPYADIUGNHDD-GRYCIOLGSA-N 1 2 339.396 -1.743 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270614 793981603 /nfs/dbraw/zinc/98/16/03/793981603.db2.gz RKQPYADIUGNHDD-GRYCIOLGSA-N 1 2 339.396 -1.743 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270623 793981445 /nfs/dbraw/zinc/98/14/45/793981445.db2.gz RKQPYADIUGNHDD-SDDRHHMPSA-N 1 2 339.396 -1.743 20 30 EAEDLO 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C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158595 794049861 /nfs/dbraw/zinc/04/98/61/794049861.db2.gz ITVQALQFJVRMIM-OLZOCXBDSA-N 1 2 349.395 -1.965 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158595 794049853 /nfs/dbraw/zinc/04/98/53/794049853.db2.gz ITVQALQFJVRMIM-OLZOCXBDSA-N 1 2 349.395 -1.965 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163141 794051161 /nfs/dbraw/zinc/05/11/61/794051161.db2.gz HHPZDVVGHDSXMW-UPJWGTAASA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163141 794051152 /nfs/dbraw/zinc/05/11/52/794051152.db2.gz HHPZDVVGHDSXMW-UPJWGTAASA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163142 794051059 /nfs/dbraw/zinc/05/10/59/794051059.db2.gz HHPZDVVGHDSXMW-XQQFMLRXSA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163142 794051051 /nfs/dbraw/zinc/05/10/51/794051051.db2.gz HHPZDVVGHDSXMW-XQQFMLRXSA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163411 794052412 /nfs/dbraw/zinc/05/24/12/794052412.db2.gz SELNBOGHLMSTJI-NEPJUHHUSA-N 1 2 339.396 -1.983 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163411 794052403 /nfs/dbraw/zinc/05/24/03/794052403.db2.gz SELNBOGHLMSTJI-NEPJUHHUSA-N 1 2 339.396 -1.983 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163555 794053566 /nfs/dbraw/zinc/05/35/66/794053566.db2.gz YMIZXBUTIVIMMB-UPJWGTAASA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163555 794053558 /nfs/dbraw/zinc/05/35/58/794053558.db2.gz YMIZXBUTIVIMMB-UPJWGTAASA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163556 794053867 /nfs/dbraw/zinc/05/38/67/794053867.db2.gz YMIZXBUTIVIMMB-XQQFMLRXSA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219163556 794053858 /nfs/dbraw/zinc/05/38/58/794053858.db2.gz YMIZXBUTIVIMMB-XQQFMLRXSA-N 1 2 336.392 -2.092 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167012 794053596 /nfs/dbraw/zinc/05/35/96/794053596.db2.gz DAHOMZIMFHWILA-MNOVXSKESA-N 1 2 340.384 -2.422 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167012 794053588 /nfs/dbraw/zinc/05/35/88/794053588.db2.gz DAHOMZIMFHWILA-MNOVXSKESA-N 1 2 340.384 -2.422 20 30 EAEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167033 794053226 /nfs/dbraw/zinc/05/32/26/794053226.db2.gz FBRGZJDPWSLUNJ-OLZOCXBDSA-N 1 2 347.375 -1.104 20 30 EAEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167033 794053216 /nfs/dbraw/zinc/05/32/16/794053216.db2.gz FBRGZJDPWSLUNJ-OLZOCXBDSA-N 1 2 347.375 -1.104 20 30 EAEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cc1C#N ZINC001219167281 794054339 /nfs/dbraw/zinc/05/43/39/794054339.db2.gz PBUNEFHDXCJHMM-OLZOCXBDSA-N 1 2 347.375 -1.104 20 30 EAEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cc1C#N ZINC001219167281 794054333 /nfs/dbraw/zinc/05/43/33/794054333.db2.gz PBUNEFHDXCJHMM-OLZOCXBDSA-N 1 2 347.375 -1.104 20 30 EAEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168957 794055244 /nfs/dbraw/zinc/05/52/44/794055244.db2.gz SGBWWPRXCPWHJO-NEPJUHHUSA-N 1 2 341.412 -1.759 20 30 EAEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168957 794055236 /nfs/dbraw/zinc/05/52/36/794055236.db2.gz SGBWWPRXCPWHJO-NEPJUHHUSA-N 1 2 341.412 -1.759 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169084 794056999 /nfs/dbraw/zinc/05/69/99/794056999.db2.gz VTZWDJOIOANYOP-MXWKQRLJSA-N 1 2 325.369 -2.397 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169084 794056994 /nfs/dbraw/zinc/05/69/94/794056994.db2.gz VTZWDJOIOANYOP-MXWKQRLJSA-N 1 2 325.369 -2.397 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169085 794056949 /nfs/dbraw/zinc/05/69/49/794056949.db2.gz VTZWDJOIOANYOP-VWYCJHECSA-N 1 2 325.369 -2.397 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169085 794056941 /nfs/dbraw/zinc/05/69/41/794056941.db2.gz VTZWDJOIOANYOP-VWYCJHECSA-N 1 2 325.369 -2.397 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201069 794059312 /nfs/dbraw/zinc/05/93/12/794059312.db2.gz OQBFCJFKIHZLCK-UPJWGTAASA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201069 794059303 /nfs/dbraw/zinc/05/93/03/794059303.db2.gz OQBFCJFKIHZLCK-UPJWGTAASA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201070 794060048 /nfs/dbraw/zinc/06/00/48/794060048.db2.gz OQBFCJFKIHZLCK-XQQFMLRXSA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219201070 794060043 /nfs/dbraw/zinc/06/00/43/794060043.db2.gz OQBFCJFKIHZLCK-XQQFMLRXSA-N 1 2 336.396 -1.480 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206952 794060669 /nfs/dbraw/zinc/06/06/69/794060669.db2.gz RBMWQGRZUMAGBQ-UPJWGTAASA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206952 794060666 /nfs/dbraw/zinc/06/06/66/794060666.db2.gz RBMWQGRZUMAGBQ-UPJWGTAASA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206953 794059987 /nfs/dbraw/zinc/05/99/87/794059987.db2.gz RBMWQGRZUMAGBQ-XQQFMLRXSA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206953 794059977 /nfs/dbraw/zinc/05/99/77/794059977.db2.gz RBMWQGRZUMAGBQ-XQQFMLRXSA-N 1 2 334.380 -2.033 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219207148 794059770 /nfs/dbraw/zinc/05/97/70/794059770.db2.gz ZHCHVCARCQNHDS-MCIONIFRSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219207148 794059767 /nfs/dbraw/zinc/05/97/67/794059767.db2.gz ZHCHVCARCQNHDS-MCIONIFRSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219207149 794059869 /nfs/dbraw/zinc/05/98/69/794059869.db2.gz ZHCHVCARCQNHDS-RDBSUJKOSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCn3cncn3)[C@@H](O)C2)C1=O ZINC001219207149 794059864 /nfs/dbraw/zinc/05/98/64/794059864.db2.gz ZHCHVCARCQNHDS-RDBSUJKOSA-N 1 2 348.407 -1.384 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210794 794059828 /nfs/dbraw/zinc/05/98/28/794059828.db2.gz VVWAWCOOCHTHKS-MCIONIFRSA-N 1 2 333.392 -1.428 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210794 794059824 /nfs/dbraw/zinc/05/98/24/794059824.db2.gz VVWAWCOOCHTHKS-MCIONIFRSA-N 1 2 333.392 -1.428 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210795 794059967 /nfs/dbraw/zinc/05/99/67/794059967.db2.gz VVWAWCOOCHTHKS-MJBXVCDLSA-N 1 2 333.392 -1.428 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219210795 794059959 /nfs/dbraw/zinc/05/99/59/794059959.db2.gz VVWAWCOOCHTHKS-MJBXVCDLSA-N 1 2 333.392 -1.428 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219217998 794061844 /nfs/dbraw/zinc/06/18/44/794061844.db2.gz HAMWKIYLDKVANA-ZJUUUORDSA-N 1 2 341.393 -2.044 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219217998 794061840 /nfs/dbraw/zinc/06/18/40/794061840.db2.gz HAMWKIYLDKVANA-ZJUUUORDSA-N 1 2 341.393 -2.044 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219218462 794062353 /nfs/dbraw/zinc/06/23/53/794062353.db2.gz SEJSTKAPABNZAG-NEPJUHHUSA-N 1 2 326.422 -1.069 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219218462 794062344 /nfs/dbraw/zinc/06/23/44/794062344.db2.gz SEJSTKAPABNZAG-NEPJUHHUSA-N 1 2 326.422 -1.069 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219219680 794061270 /nfs/dbraw/zinc/06/12/70/794061270.db2.gz IFXVZHAONHKXSS-MNOVXSKESA-N 1 2 340.405 -1.447 20 30 EAEDLO N#CCSCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219219680 794061265 /nfs/dbraw/zinc/06/12/65/794061265.db2.gz IFXVZHAONHKXSS-MNOVXSKESA-N 1 2 340.405 -1.447 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223342 794063488 /nfs/dbraw/zinc/06/34/88/794063488.db2.gz HRSCJISOBQIZBM-RTXFEEFZSA-N 1 2 326.397 -1.683 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223342 794063482 /nfs/dbraw/zinc/06/34/82/794063482.db2.gz HRSCJISOBQIZBM-RTXFEEFZSA-N 1 2 326.397 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223343 794064018 /nfs/dbraw/zinc/06/40/18/794064018.db2.gz HRSCJISOBQIZBM-UHTWSYAYSA-N 1 2 326.397 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223343 794064009 /nfs/dbraw/zinc/06/40/09/794064009.db2.gz HRSCJISOBQIZBM-UHTWSYAYSA-N 1 2 326.397 -1.683 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C2)C1=O ZINC001219223848 794063118 /nfs/dbraw/zinc/06/31/18/794063118.db2.gz VEPQQNGFPJWSTG-MCIONIFRSA-N 1 2 338.408 -1.587 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C2)C1=O ZINC001219223848 794063113 /nfs/dbraw/zinc/06/31/13/794063113.db2.gz VEPQQNGFPJWSTG-MCIONIFRSA-N 1 2 338.408 -1.587 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C2)C1=O ZINC001219223849 794063355 /nfs/dbraw/zinc/06/33/55/794063355.db2.gz VEPQQNGFPJWSTG-RDBSUJKOSA-N 1 2 338.408 -1.587 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C2)C1=O ZINC001219223849 794063347 /nfs/dbraw/zinc/06/33/47/794063347.db2.gz VEPQQNGFPJWSTG-RDBSUJKOSA-N 1 2 338.408 -1.587 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256048 794068654 /nfs/dbraw/zinc/06/86/54/794068654.db2.gz AAKSDANLQDKBBB-RTXFEEFZSA-N 1 2 338.408 -1.635 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256048 794068652 /nfs/dbraw/zinc/06/86/52/794068652.db2.gz AAKSDANLQDKBBB-RTXFEEFZSA-N 1 2 338.408 -1.635 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256049 794068994 /nfs/dbraw/zinc/06/89/94/794068994.db2.gz AAKSDANLQDKBBB-UHTWSYAYSA-N 1 2 338.408 -1.635 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219256049 794068987 /nfs/dbraw/zinc/06/89/87/794068987.db2.gz AAKSDANLQDKBBB-UHTWSYAYSA-N 1 2 338.408 -1.635 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257046 794068156 /nfs/dbraw/zinc/06/81/56/794068156.db2.gz VPFZAVVWOKYMRU-RTXFEEFZSA-N 1 2 336.392 -2.188 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257046 794068149 /nfs/dbraw/zinc/06/81/49/794068149.db2.gz VPFZAVVWOKYMRU-RTXFEEFZSA-N 1 2 336.392 -2.188 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257047 794067859 /nfs/dbraw/zinc/06/78/59/794067859.db2.gz VPFZAVVWOKYMRU-UHTWSYAYSA-N 1 2 336.392 -2.188 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257047 794067851 /nfs/dbraw/zinc/06/78/51/794067851.db2.gz VPFZAVVWOKYMRU-UHTWSYAYSA-N 1 2 336.392 -2.188 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C2)C1=O ZINC001219274701 794072869 /nfs/dbraw/zinc/07/28/69/794072869.db2.gz DNURAXXCHZLMLR-UTUOFQBUSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C2)C1=O ZINC001219274701 794072862 /nfs/dbraw/zinc/07/28/62/794072862.db2.gz DNURAXXCHZLMLR-UTUOFQBUSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C2)C1=O ZINC001219274702 794073948 /nfs/dbraw/zinc/07/39/48/794073948.db2.gz DNURAXXCHZLMLR-WOPDTQHZSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C2)C1=O ZINC001219274702 794073941 /nfs/dbraw/zinc/07/39/41/794073941.db2.gz DNURAXXCHZLMLR-WOPDTQHZSA-N 1 2 340.380 -1.709 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274822 794072718 /nfs/dbraw/zinc/07/27/18/794072718.db2.gz KARBKMPBIHMGBW-AXFHLTTASA-N 1 2 328.369 -1.806 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274822 794072709 /nfs/dbraw/zinc/07/27/09/794072709.db2.gz KARBKMPBIHMGBW-AXFHLTTASA-N 1 2 328.369 -1.806 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274823 794072660 /nfs/dbraw/zinc/07/26/60/794072660.db2.gz KARBKMPBIHMGBW-MXWKQRLJSA-N 1 2 328.369 -1.806 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274823 794072653 /nfs/dbraw/zinc/07/26/53/794072653.db2.gz KARBKMPBIHMGBW-MXWKQRLJSA-N 1 2 328.369 -1.806 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274830 794073973 /nfs/dbraw/zinc/07/39/73/794073973.db2.gz KGFABGHUPPPTDD-AXFHLTTASA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274830 794073966 /nfs/dbraw/zinc/07/39/66/794073966.db2.gz KGFABGHUPPPTDD-AXFHLTTASA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274831 794072775 /nfs/dbraw/zinc/07/27/75/794072775.db2.gz KGFABGHUPPPTDD-MXWKQRLJSA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274831 794072768 /nfs/dbraw/zinc/07/27/68/794072768.db2.gz KGFABGHUPPPTDD-MXWKQRLJSA-N 1 2 326.353 -2.358 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001219281641 794075464 /nfs/dbraw/zinc/07/54/64/794075464.db2.gz LSHAZYSGTYJGME-MCIONIFRSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001219281641 794075456 /nfs/dbraw/zinc/07/54/56/794075456.db2.gz LSHAZYSGTYJGME-MCIONIFRSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001219281642 794074708 /nfs/dbraw/zinc/07/47/08/794074708.db2.gz LSHAZYSGTYJGME-MJBXVCDLSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001219281642 794074698 /nfs/dbraw/zinc/07/46/98/794074698.db2.gz LSHAZYSGTYJGME-MJBXVCDLSA-N 1 2 333.392 -1.509 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298186 794077614 /nfs/dbraw/zinc/07/76/14/794077614.db2.gz NMPFWVLXQCXRPT-UPJWGTAASA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298186 794077608 /nfs/dbraw/zinc/07/76/08/794077608.db2.gz NMPFWVLXQCXRPT-UPJWGTAASA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298187 794078097 /nfs/dbraw/zinc/07/80/97/794078097.db2.gz NMPFWVLXQCXRPT-XQQFMLRXSA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298187 794078089 /nfs/dbraw/zinc/07/80/89/794078089.db2.gz NMPFWVLXQCXRPT-XQQFMLRXSA-N 1 2 340.424 -1.245 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298240 794078291 /nfs/dbraw/zinc/07/82/91/794078291.db2.gz ONAYUQRKRSXAJX-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298240 794078283 /nfs/dbraw/zinc/07/82/83/794078283.db2.gz ONAYUQRKRSXAJX-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298241 794078588 /nfs/dbraw/zinc/07/85/88/794078588.db2.gz ONAYUQRKRSXAJX-XQQFMLRXSA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)CCC)[C@@H](O)C1 ZINC001219298241 794078585 /nfs/dbraw/zinc/07/85/85/794078585.db2.gz ONAYUQRKRSXAJX-XQQFMLRXSA-N 1 2 338.408 -1.798 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219313114 794079320 /nfs/dbraw/zinc/07/93/20/794079320.db2.gz VRCXDMQYDXYCLY-MCIONIFRSA-N 1 2 338.408 -1.054 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219313114 794079313 /nfs/dbraw/zinc/07/93/13/794079313.db2.gz VRCXDMQYDXYCLY-MCIONIFRSA-N 1 2 338.408 -1.054 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001219313116 794079903 /nfs/dbraw/zinc/07/99/03/794079903.db2.gz VRCXDMQYDXYCLY-MJBXVCDLSA-N 1 2 338.408 -1.054 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001219313116 794079891 /nfs/dbraw/zinc/07/98/91/794079891.db2.gz VRCXDMQYDXYCLY-MJBXVCDLSA-N 1 2 338.408 -1.054 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328225 794082429 /nfs/dbraw/zinc/08/24/29/794082429.db2.gz IXFUULJCQZFVRW-BNOWGMLFSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328225 794082423 /nfs/dbraw/zinc/08/24/23/794082423.db2.gz IXFUULJCQZFVRW-BNOWGMLFSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328226 794083117 /nfs/dbraw/zinc/08/31/17/794083117.db2.gz IXFUULJCQZFVRW-YUTCNCBUSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328226 794083110 /nfs/dbraw/zinc/08/31/10/794083110.db2.gz IXFUULJCQZFVRW-YUTCNCBUSA-N 1 2 335.408 -1.185 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328446 794082689 /nfs/dbraw/zinc/08/26/89/794082689.db2.gz NSJOFAWYBIATKG-BNOWGMLFSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328446 794082681 /nfs/dbraw/zinc/08/26/81/794082681.db2.gz NSJOFAWYBIATKG-BNOWGMLFSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328447 794082049 /nfs/dbraw/zinc/08/20/49/794082049.db2.gz NSJOFAWYBIATKG-YUTCNCBUSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219328447 794082038 /nfs/dbraw/zinc/08/20/38/794082038.db2.gz NSJOFAWYBIATKG-YUTCNCBUSA-N 1 2 333.392 -1.738 20 30 EAEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219346313 794085205 /nfs/dbraw/zinc/08/52/05/794085205.db2.gz IQLHYYVBJGMQDD-OLZOCXBDSA-N 1 2 336.392 -1.289 20 30 EAEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219346313 794085195 /nfs/dbraw/zinc/08/51/95/794085195.db2.gz IQLHYYVBJGMQDD-OLZOCXBDSA-N 1 2 336.392 -1.289 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C1 ZINC001219349135 794084935 /nfs/dbraw/zinc/08/49/35/794084935.db2.gz PCHBMAYKEKIJAP-UPJWGTAASA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C1 ZINC001219349135 794084922 /nfs/dbraw/zinc/08/49/22/794084922.db2.gz PCHBMAYKEKIJAP-UPJWGTAASA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C1 ZINC001219349136 794085002 /nfs/dbraw/zinc/08/50/02/794085002.db2.gz PCHBMAYKEKIJAP-XQQFMLRXSA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C1 ZINC001219349136 794084994 /nfs/dbraw/zinc/08/49/94/794084994.db2.gz PCHBMAYKEKIJAP-XQQFMLRXSA-N 1 2 340.424 -1.245 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C1 ZINC001219349250 794084580 /nfs/dbraw/zinc/08/45/80/794084580.db2.gz SXZURSCKQHLJLH-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C1 ZINC001219349250 794084576 /nfs/dbraw/zinc/08/45/76/794084576.db2.gz SXZURSCKQHLJLH-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO 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QBNFWANVALLONW-OLZOCXBDSA-N 1 2 349.453 -1.320 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219426851 794102240 /nfs/dbraw/zinc/10/22/40/794102240.db2.gz RSXNRZNDPGLBSY-TUAOUCFPSA-N 1 2 342.396 -1.286 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219426851 794102234 /nfs/dbraw/zinc/10/22/34/794102234.db2.gz RSXNRZNDPGLBSY-TUAOUCFPSA-N 1 2 342.396 -1.286 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219426852 794103643 /nfs/dbraw/zinc/10/36/43/794103643.db2.gz RSXNRZNDPGLBSY-UTUOFQBUSA-N 1 2 342.396 -1.286 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219426852 794103637 /nfs/dbraw/zinc/10/36/37/794103637.db2.gz RSXNRZNDPGLBSY-UTUOFQBUSA-N 1 2 342.396 -1.286 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219426966 794102301 /nfs/dbraw/zinc/10/23/01/794102301.db2.gz UVQOASQNEZPXMY-AGIUHOORSA-N 1 2 339.392 -1.064 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219426966 794102295 /nfs/dbraw/zinc/10/22/95/794102295.db2.gz UVQOASQNEZPXMY-AGIUHOORSA-N 1 2 339.392 -1.064 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219426969 794103612 /nfs/dbraw/zinc/10/36/12/794103612.db2.gz UVQOASQNEZPXMY-UPJWGTAASA-N 1 2 339.392 -1.064 20 30 EAEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219426969 794103603 /nfs/dbraw/zinc/10/36/03/794103603.db2.gz UVQOASQNEZPXMY-UPJWGTAASA-N 1 2 339.392 -1.064 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219432943 794102263 /nfs/dbraw/zinc/10/22/63/794102263.db2.gz VPLZGUHHMURVGT-TUAOUCFPSA-N 1 2 336.396 -1.411 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219432943 794102258 /nfs/dbraw/zinc/10/22/58/794102258.db2.gz VPLZGUHHMURVGT-TUAOUCFPSA-N 1 2 336.396 -1.411 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219432944 794103178 /nfs/dbraw/zinc/10/31/78/794103178.db2.gz VPLZGUHHMURVGT-UTUOFQBUSA-N 1 2 336.396 -1.411 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219432944 794103173 /nfs/dbraw/zinc/10/31/73/794103173.db2.gz VPLZGUHHMURVGT-UTUOFQBUSA-N 1 2 336.396 -1.411 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCc3nnc[nH]3)[C@@H](O)C2)C1=O ZINC001219440938 794105018 /nfs/dbraw/zinc/10/50/18/794105018.db2.gz GPUPICYSFSDDFF-AGIUHOORSA-N 1 2 348.407 -1.315 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCc3nnc[nH]3)[C@@H](O)C2)C1=O ZINC001219440938 794105015 /nfs/dbraw/zinc/10/50/15/794105015.db2.gz GPUPICYSFSDDFF-AGIUHOORSA-N 1 2 348.407 -1.315 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCc3nnc[nH]3)[C@@H](O)C2)C1=O ZINC001219440939 794104351 /nfs/dbraw/zinc/10/43/51/794104351.db2.gz GPUPICYSFSDDFF-UPJWGTAASA-N 1 2 348.407 -1.315 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCc3nnc[nH]3)[C@@H](O)C2)C1=O ZINC001219440939 794104345 /nfs/dbraw/zinc/10/43/45/794104345.db2.gz GPUPICYSFSDDFF-UPJWGTAASA-N 1 2 348.407 -1.315 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219441360 794104595 /nfs/dbraw/zinc/10/45/95/794104595.db2.gz VONNGUZTYGLIFS-BNOWGMLFSA-N 1 2 333.392 -1.440 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219441360 794104591 /nfs/dbraw/zinc/10/45/91/794104591.db2.gz VONNGUZTYGLIFS-BNOWGMLFSA-N 1 2 333.392 -1.440 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219441361 794104405 /nfs/dbraw/zinc/10/44/05/794104405.db2.gz VONNGUZTYGLIFS-YUTCNCBUSA-N 1 2 333.392 -1.440 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219441361 794104400 /nfs/dbraw/zinc/10/44/00/794104400.db2.gz VONNGUZTYGLIFS-YUTCNCBUSA-N 1 2 333.392 -1.440 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219449910 794105303 /nfs/dbraw/zinc/10/53/03/794105303.db2.gz GHJJMTDQGFVAIP-RTXFEEFZSA-N 1 2 332.360 -1.300 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219449910 794105299 /nfs/dbraw/zinc/10/52/99/794105299.db2.gz GHJJMTDQGFVAIP-RTXFEEFZSA-N 1 2 332.360 -1.300 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219449911 794105409 /nfs/dbraw/zinc/10/54/09/794105409.db2.gz GHJJMTDQGFVAIP-UHTWSYAYSA-N 1 2 332.360 -1.300 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219449911 794105404 /nfs/dbraw/zinc/10/54/04/794105404.db2.gz GHJJMTDQGFVAIP-UHTWSYAYSA-N 1 2 332.360 -1.300 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458702 794107260 /nfs/dbraw/zinc/10/72/60/794107260.db2.gz HJUNZWTUHOEJOF-TUAOUCFPSA-N 1 2 325.365 -1.597 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458702 794107253 /nfs/dbraw/zinc/10/72/53/794107253.db2.gz HJUNZWTUHOEJOF-TUAOUCFPSA-N 1 2 325.365 -1.597 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458709 794107354 /nfs/dbraw/zinc/10/73/54/794107354.db2.gz HJUNZWTUHOEJOF-UTUOFQBUSA-N 1 2 325.365 -1.597 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001219458709 794107352 /nfs/dbraw/zinc/10/73/52/794107352.db2.gz HJUNZWTUHOEJOF-UTUOFQBUSA-N 1 2 325.365 -1.597 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001219465625 794108725 /nfs/dbraw/zinc/10/87/25/794108725.db2.gz KIGZPAWXEGHNQX-CFVMTHIKSA-N 1 2 330.388 -1.077 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001219465625 794108719 /nfs/dbraw/zinc/10/87/19/794108719.db2.gz KIGZPAWXEGHNQX-CFVMTHIKSA-N 1 2 330.388 -1.077 20 30 EAEDLO 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ZINC001219487390 794113296 /nfs/dbraw/zinc/11/32/96/794113296.db2.gz PAIFOVOAGRLBPZ-KGLIPLIRSA-N 1 2 346.387 -1.109 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001219487390 794113290 /nfs/dbraw/zinc/11/32/90/794113290.db2.gz PAIFOVOAGRLBPZ-KGLIPLIRSA-N 1 2 346.387 -1.109 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219487491 794113646 /nfs/dbraw/zinc/11/36/46/794113646.db2.gz UCXDLWSQXIBOCL-OLZOCXBDSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001219487491 794113643 /nfs/dbraw/zinc/11/36/43/794113643.db2.gz UCXDLWSQXIBOCL-OLZOCXBDSA-N 1 2 336.392 -2.090 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@@H]1O ZINC001219487508 794113390 /nfs/dbraw/zinc/11/33/90/794113390.db2.gz UTTNQDNOTSPVOJ-KGLIPLIRSA-N 1 2 346.387 -1.109 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@@H]1O ZINC001219487508 794113384 /nfs/dbraw/zinc/11/33/84/794113384.db2.gz 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C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001219487594 794112635 /nfs/dbraw/zinc/11/26/35/794112635.db2.gz YPPRVLDENDYSRY-OLZOCXBDSA-N 1 2 338.408 -1.846 20 30 EAEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219490744 794113154 /nfs/dbraw/zinc/11/31/54/794113154.db2.gz WWSLJXDDQIIMQG-OLZOCXBDSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219490744 794113152 /nfs/dbraw/zinc/11/31/52/794113152.db2.gz WWSLJXDDQIIMQG-OLZOCXBDSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC#C)C[C@@H]1O ZINC001219492227 794113590 /nfs/dbraw/zinc/11/35/90/794113590.db2.gz BKNTUFYYIUBZKE-UPJWGTAASA-N 1 2 334.376 -2.575 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC#C)C[C@@H]1O ZINC001219492227 794113586 /nfs/dbraw/zinc/11/35/86/794113586.db2.gz BKNTUFYYIUBZKE-UPJWGTAASA-N 1 2 334.376 -2.575 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC#C)C[C@@H]1O ZINC001219492228 794113449 /nfs/dbraw/zinc/11/34/49/794113449.db2.gz BKNTUFYYIUBZKE-XQQFMLRXSA-N 1 2 334.376 -2.575 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC#C)C[C@@H]1O ZINC001219492228 794113443 /nfs/dbraw/zinc/11/34/43/794113443.db2.gz BKNTUFYYIUBZKE-XQQFMLRXSA-N 1 2 334.376 -2.575 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219492319 794113498 /nfs/dbraw/zinc/11/34/98/794113498.db2.gz HMTGRMZCGUHVGR-AGIUHOORSA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219492319 794113494 /nfs/dbraw/zinc/11/34/94/794113494.db2.gz HMTGRMZCGUHVGR-AGIUHOORSA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219492320 794112883 /nfs/dbraw/zinc/11/28/83/794112883.db2.gz HMTGRMZCGUHVGR-UPJWGTAASA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001219492320 794112880 /nfs/dbraw/zinc/11/28/80/794112880.db2.gz HMTGRMZCGUHVGR-UPJWGTAASA-N 1 2 336.392 -2.092 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219492321 794113408 /nfs/dbraw/zinc/11/34/08/794113408.db2.gz HQHXAEHRYQJAFZ-RTXFEEFZSA-N 1 2 336.392 -2.046 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219492321 794113403 /nfs/dbraw/zinc/11/34/03/794113403.db2.gz HQHXAEHRYQJAFZ-RTXFEEFZSA-N 1 2 336.392 -2.046 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219492322 794112785 /nfs/dbraw/zinc/11/27/85/794112785.db2.gz HQHXAEHRYQJAFZ-UHTWSYAYSA-N 1 2 336.392 -2.046 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001219492322 794112782 /nfs/dbraw/zinc/11/27/82/794112782.db2.gz HQHXAEHRYQJAFZ-UHTWSYAYSA-N 1 2 336.392 -2.046 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219492363 794112866 /nfs/dbraw/zinc/11/28/66/794112866.db2.gz JIHWPHZBYDGXSG-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219492363 794112863 /nfs/dbraw/zinc/11/28/63/794112863.db2.gz JIHWPHZBYDGXSG-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219492364 794113571 /nfs/dbraw/zinc/11/35/71/794113571.db2.gz JIHWPHZBYDGXSG-XQQFMLRXSA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001219492364 794113567 /nfs/dbraw/zinc/11/35/67/794113567.db2.gz JIHWPHZBYDGXSG-XQQFMLRXSA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219492436 794112822 /nfs/dbraw/zinc/11/28/22/794112822.db2.gz LRFXHWAHDFXQMW-AEJSXWLSSA-N 1 2 339.352 -3.129 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219492436 794112817 /nfs/dbraw/zinc/11/28/17/794112817.db2.gz LRFXHWAHDFXQMW-AEJSXWLSSA-N 1 2 339.352 -3.129 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219492437 794112502 /nfs/dbraw/zinc/11/25/02/794112502.db2.gz LRFXHWAHDFXQMW-BBBLOLIVSA-N 1 2 339.352 -3.129 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]1O ZINC001219492437 794112486 /nfs/dbraw/zinc/11/24/86/794112486.db2.gz LRFXHWAHDFXQMW-BBBLOLIVSA-N 1 2 339.352 -3.129 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001219492450 794112909 /nfs/dbraw/zinc/11/29/09/794112909.db2.gz MDJGFMHLEHBRDS-KGLIPLIRSA-N 1 2 331.376 -1.414 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001219492450 794112906 /nfs/dbraw/zinc/11/29/06/794112906.db2.gz MDJGFMHLEHBRDS-KGLIPLIRSA-N 1 2 331.376 -1.414 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC=C)C[C@@H]1O ZINC001219492597 794112951 /nfs/dbraw/zinc/11/29/51/794112951.db2.gz SDEGNPASGBGZCD-UPJWGTAASA-N 1 2 336.392 -2.022 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC=C)C[C@@H]1O ZINC001219492597 794112945 /nfs/dbraw/zinc/11/29/45/794112945.db2.gz SDEGNPASGBGZCD-UPJWGTAASA-N 1 2 336.392 -2.022 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC=C)C[C@@H]1O ZINC001219492598 794113432 /nfs/dbraw/zinc/11/34/32/794113432.db2.gz SDEGNPASGBGZCD-XQQFMLRXSA-N 1 2 336.392 -2.022 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC=C)C[C@@H]1O ZINC001219492598 794113426 /nfs/dbraw/zinc/11/34/26/794113426.db2.gz SDEGNPASGBGZCD-XQQFMLRXSA-N 1 2 336.392 -2.022 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219492688 794114886 /nfs/dbraw/zinc/11/48/86/794114886.db2.gz WEULJADWKHOMQW-MNOVXSKESA-N 1 2 346.409 -3.164 20 30 EAEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219492688 794114883 /nfs/dbraw/zinc/11/48/83/794114883.db2.gz WEULJADWKHOMQW-MNOVXSKESA-N 1 2 346.409 -3.164 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219495655 794114118 /nfs/dbraw/zinc/11/41/18/794114118.db2.gz KYQDBPKCPKRAAN-AGIUHOORSA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219495655 794114111 /nfs/dbraw/zinc/11/41/11/794114111.db2.gz KYQDBPKCPKRAAN-AGIUHOORSA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219495657 794114490 /nfs/dbraw/zinc/11/44/90/794114490.db2.gz KYQDBPKCPKRAAN-UPJWGTAASA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219495657 794114488 /nfs/dbraw/zinc/11/44/88/794114488.db2.gz KYQDBPKCPKRAAN-UPJWGTAASA-N 1 2 338.408 -1.539 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 ZINC001219497684 794116026 /nfs/dbraw/zinc/11/60/26/794116026.db2.gz XFBYTZIVSRJSRI-TUAOUCFPSA-N 1 2 326.397 -1.635 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 ZINC001219497684 794116025 /nfs/dbraw/zinc/11/60/25/794116025.db2.gz XFBYTZIVSRJSRI-TUAOUCFPSA-N 1 2 326.397 -1.635 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 ZINC001219497686 794116395 /nfs/dbraw/zinc/11/63/95/794116395.db2.gz XFBYTZIVSRJSRI-UTUOFQBUSA-N 1 2 326.397 -1.635 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 ZINC001219497686 794116392 /nfs/dbraw/zinc/11/63/92/794116392.db2.gz XFBYTZIVSRJSRI-UTUOFQBUSA-N 1 2 326.397 -1.635 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219497745 794116091 /nfs/dbraw/zinc/11/60/91/794116091.db2.gz YBGUMPOOYPJOBK-NEPJUHHUSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219497745 794116086 /nfs/dbraw/zinc/11/60/86/794116086.db2.gz YBGUMPOOYPJOBK-NEPJUHHUSA-N 1 2 326.397 -1.634 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219500018 794115846 /nfs/dbraw/zinc/11/58/46/794115846.db2.gz NPLSDWJAAUBSMO-JLLWLGSASA-N 1 2 336.396 -1.532 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219500018 794115841 /nfs/dbraw/zinc/11/58/41/794115841.db2.gz NPLSDWJAAUBSMO-JLLWLGSASA-N 1 2 336.396 -1.532 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219500019 794115657 /nfs/dbraw/zinc/11/56/57/794115657.db2.gz NPLSDWJAAUBSMO-WCQGTBRESA-N 1 2 336.396 -1.532 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219500019 794115649 /nfs/dbraw/zinc/11/56/49/794115649.db2.gz NPLSDWJAAUBSMO-WCQGTBRESA-N 1 2 336.396 -1.532 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219503594 794118149 /nfs/dbraw/zinc/11/81/49/794118149.db2.gz CJTVNLVINUUITI-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219503594 794118144 /nfs/dbraw/zinc/11/81/44/794118144.db2.gz CJTVNLVINUUITI-UPJWGTAASA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219503596 794117598 /nfs/dbraw/zinc/11/75/98/794117598.db2.gz CJTVNLVINUUITI-XQQFMLRXSA-N 1 2 338.408 -1.798 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219503596 794117592 /nfs/dbraw/zinc/11/75/92/794117592.db2.gz CJTVNLVINUUITI-XQQFMLRXSA-N 1 2 338.408 -1.798 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219504437 794117777 /nfs/dbraw/zinc/11/77/77/794117777.db2.gz VXUAYTYRJVBYCZ-UPJWGTAASA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219504437 794117771 /nfs/dbraw/zinc/11/77/71/794117771.db2.gz VXUAYTYRJVBYCZ-UPJWGTAASA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219504439 794117852 /nfs/dbraw/zinc/11/78/52/794117852.db2.gz VXUAYTYRJVBYCZ-XQQFMLRXSA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NC)[C@@H](O)C1 ZINC001219504439 794117846 /nfs/dbraw/zinc/11/78/46/794117846.db2.gz VXUAYTYRJVBYCZ-XQQFMLRXSA-N 1 2 340.424 -1.245 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219508102 794118978 /nfs/dbraw/zinc/11/89/78/794118978.db2.gz MMSAGFFLVQDONP-OLZOCXBDSA-N 1 2 338.408 -1.516 20 30 EAEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219508102 794118974 /nfs/dbraw/zinc/11/89/74/794118974.db2.gz MMSAGFFLVQDONP-OLZOCXBDSA-N 1 2 338.408 -1.516 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219508335 794119449 /nfs/dbraw/zinc/11/94/49/794119449.db2.gz WVRVHAYBZGFYJH-NEPJUHHUSA-N 1 2 339.396 -1.954 20 30 EAEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219508335 794119444 /nfs/dbraw/zinc/11/94/44/794119444.db2.gz WVRVHAYBZGFYJH-NEPJUHHUSA-N 1 2 339.396 -1.954 20 30 EAEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219509748 794121102 /nfs/dbraw/zinc/12/11/02/794121102.db2.gz BNJJTGFSHMRQKS-OLZOCXBDSA-N 1 2 340.424 -1.292 20 30 EAEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219509748 794121095 /nfs/dbraw/zinc/12/10/95/794121095.db2.gz BNJJTGFSHMRQKS-OLZOCXBDSA-N 1 2 340.424 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511438 794122633 /nfs/dbraw/zinc/12/26/33/794122633.db2.gz OQFYIJMJDXASSE-UPJWGTAASA-N 1 2 339.392 -1.561 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511438 794122630 /nfs/dbraw/zinc/12/26/30/794122630.db2.gz OQFYIJMJDXASSE-UPJWGTAASA-N 1 2 339.392 -1.561 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511443 794122858 /nfs/dbraw/zinc/12/28/58/794122858.db2.gz OQFYIJMJDXASSE-XQQFMLRXSA-N 1 2 339.392 -1.561 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511443 794122857 /nfs/dbraw/zinc/12/28/57/794122857.db2.gz OQFYIJMJDXASSE-XQQFMLRXSA-N 1 2 339.392 -1.561 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511614 794122576 /nfs/dbraw/zinc/12/25/76/794122576.db2.gz UJSYNWOQOXTBDA-UPJWGTAASA-N 1 2 341.408 -1.009 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511614 794122570 /nfs/dbraw/zinc/12/25/70/794122570.db2.gz UJSYNWOQOXTBDA-UPJWGTAASA-N 1 2 341.408 -1.009 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511615 794122264 /nfs/dbraw/zinc/12/22/64/794122264.db2.gz UJSYNWOQOXTBDA-XQQFMLRXSA-N 1 2 341.408 -1.009 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511615 794122257 /nfs/dbraw/zinc/12/22/57/794122257.db2.gz UJSYNWOQOXTBDA-XQQFMLRXSA-N 1 2 341.408 -1.009 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219512808 794122559 /nfs/dbraw/zinc/12/25/59/794122559.db2.gz FDCJGYYHXFJKFF-GDLCADMTSA-N 1 2 336.392 -2.236 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219512808 794122556 /nfs/dbraw/zinc/12/25/56/794122556.db2.gz FDCJGYYHXFJKFF-GDLCADMTSA-N 1 2 336.392 -2.236 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219512809 794121959 /nfs/dbraw/zinc/12/19/59/794121959.db2.gz FDCJGYYHXFJKFF-HONMWMINSA-N 1 2 336.392 -2.236 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219512809 794121952 /nfs/dbraw/zinc/12/19/52/794121952.db2.gz FDCJGYYHXFJKFF-HONMWMINSA-N 1 2 336.392 -2.236 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219513676 794122814 /nfs/dbraw/zinc/12/28/14/794122814.db2.gz YYLWIAWVIXVQQP-GDLCADMTSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219513676 794122811 /nfs/dbraw/zinc/12/28/11/794122811.db2.gz YYLWIAWVIXVQQP-GDLCADMTSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219513677 794122206 /nfs/dbraw/zinc/12/22/06/794122206.db2.gz YYLWIAWVIXVQQP-HONMWMINSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219513677 794122201 /nfs/dbraw/zinc/12/22/01/794122201.db2.gz YYLWIAWVIXVQQP-HONMWMINSA-N 1 2 338.408 -1.683 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515001 794122169 /nfs/dbraw/zinc/12/21/69/794122169.db2.gz FOXWIKDWIDYQOL-AXFHLTTASA-N 1 2 338.364 -1.556 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515001 794122165 /nfs/dbraw/zinc/12/21/65/794122165.db2.gz FOXWIKDWIDYQOL-AXFHLTTASA-N 1 2 338.364 -1.556 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515002 794122421 /nfs/dbraw/zinc/12/24/21/794122421.db2.gz FOXWIKDWIDYQOL-MXWKQRLJSA-N 1 2 338.364 -1.556 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515002 794122413 /nfs/dbraw/zinc/12/24/13/794122413.db2.gz FOXWIKDWIDYQOL-MXWKQRLJSA-N 1 2 338.364 -1.556 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515173 794122004 /nfs/dbraw/zinc/12/20/04/794122004.db2.gz ICPYISUYECFRMJ-AXFHLTTASA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515173 794122000 /nfs/dbraw/zinc/12/20/00/794122000.db2.gz ICPYISUYECFRMJ-AXFHLTTASA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515174 794122645 /nfs/dbraw/zinc/12/26/45/794122645.db2.gz ICPYISUYECFRMJ-MXWKQRLJSA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219515174 794122643 /nfs/dbraw/zinc/12/26/43/794122643.db2.gz ICPYISUYECFRMJ-MXWKQRLJSA-N 1 2 336.348 -2.109 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517592 794124144 /nfs/dbraw/zinc/12/41/44/794124144.db2.gz ZSZRSUZNKIETKQ-UPJWGTAASA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517592 794124142 /nfs/dbraw/zinc/12/41/42/794124142.db2.gz ZSZRSUZNKIETKQ-UPJWGTAASA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517593 794123361 /nfs/dbraw/zinc/12/33/61/794123361.db2.gz ZSZRSUZNKIETKQ-XQQFMLRXSA-N 1 2 334.380 -2.033 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517593 794123350 /nfs/dbraw/zinc/12/33/50/794123350.db2.gz ZSZRSUZNKIETKQ-XQQFMLRXSA-N 1 2 334.380 -2.033 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517610 794123598 /nfs/dbraw/zinc/12/35/98/794123598.db2.gz ZXBBNETVCUXNQS-UPJWGTAASA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517610 794123592 /nfs/dbraw/zinc/12/35/92/794123592.db2.gz ZXBBNETVCUXNQS-UPJWGTAASA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517611 794123751 /nfs/dbraw/zinc/12/37/51/794123751.db2.gz ZXBBNETVCUXNQS-XQQFMLRXSA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219517611 794123748 /nfs/dbraw/zinc/12/37/48/794123748.db2.gz ZXBBNETVCUXNQS-XQQFMLRXSA-N 1 2 336.396 -1.480 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219521337 794124097 /nfs/dbraw/zinc/12/40/97/794124097.db2.gz GKBAUYWSRFDNEP-NEPJUHHUSA-N 1 2 327.381 -1.397 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219521337 794124093 /nfs/dbraw/zinc/12/40/93/794124093.db2.gz GKBAUYWSRFDNEP-NEPJUHHUSA-N 1 2 327.381 -1.397 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219523845 794125228 /nfs/dbraw/zinc/12/52/28/794125228.db2.gz PTTANCHXYUWVOF-KGLIPLIRSA-N 1 2 348.403 -1.451 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219523845 794125221 /nfs/dbraw/zinc/12/52/21/794125221.db2.gz PTTANCHXYUWVOF-KGLIPLIRSA-N 1 2 348.403 -1.451 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525009 794125280 /nfs/dbraw/zinc/12/52/80/794125280.db2.gz MKUZADKBMHFEKW-BNOWGMLFSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525009 794125275 /nfs/dbraw/zinc/12/52/75/794125275.db2.gz MKUZADKBMHFEKW-BNOWGMLFSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525010 794125422 /nfs/dbraw/zinc/12/54/22/794125422.db2.gz MKUZADKBMHFEKW-YUTCNCBUSA-N 1 2 335.408 -1.185 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525010 794125419 /nfs/dbraw/zinc/12/54/19/794125419.db2.gz MKUZADKBMHFEKW-YUTCNCBUSA-N 1 2 335.408 -1.185 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525033 794124605 /nfs/dbraw/zinc/12/46/05/794124605.db2.gz OKAYMNLUKFUWAS-BNOWGMLFSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525033 794124599 /nfs/dbraw/zinc/12/45/99/794124599.db2.gz OKAYMNLUKFUWAS-BNOWGMLFSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525034 794124984 /nfs/dbraw/zinc/12/49/84/794124984.db2.gz OKAYMNLUKFUWAS-YUTCNCBUSA-N 1 2 333.392 -1.738 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525034 794124977 /nfs/dbraw/zinc/12/49/77/794124977.db2.gz OKAYMNLUKFUWAS-YUTCNCBUSA-N 1 2 333.392 -1.738 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219525053 794124847 /nfs/dbraw/zinc/12/48/47/794124847.db2.gz PJIPNWXLAHYLIB-MCIONIFRSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219525053 794124838 /nfs/dbraw/zinc/12/48/38/794124838.db2.gz PJIPNWXLAHYLIB-MCIONIFRSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219525054 794125606 /nfs/dbraw/zinc/12/56/06/794125606.db2.gz PJIPNWXLAHYLIB-RDBSUJKOSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCn3ccnn3)[C@@H](O)C2)C1=O ZINC001219525054 794125603 /nfs/dbraw/zinc/12/56/03/794125603.db2.gz PJIPNWXLAHYLIB-RDBSUJKOSA-N 1 2 348.407 -1.384 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219527530 794125249 /nfs/dbraw/zinc/12/52/49/794125249.db2.gz SOWHHTQWIIBOLB-DVOMOZLQSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219527530 794125245 /nfs/dbraw/zinc/12/52/45/794125245.db2.gz SOWHHTQWIIBOLB-DVOMOZLQSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219527531 794125563 /nfs/dbraw/zinc/12/55/63/794125563.db2.gz SOWHHTQWIIBOLB-WWGRRREGSA-N 1 2 341.408 -1.666 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001219527531 794125561 /nfs/dbraw/zinc/12/55/61/794125561.db2.gz SOWHHTQWIIBOLB-WWGRRREGSA-N 1 2 341.408 -1.666 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530429 794126757 /nfs/dbraw/zinc/12/67/57/794126757.db2.gz DLYWJGNMYDFBRK-BNOWGMLFSA-N 1 2 331.376 -1.682 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530429 794126754 /nfs/dbraw/zinc/12/67/54/794126754.db2.gz DLYWJGNMYDFBRK-BNOWGMLFSA-N 1 2 331.376 -1.682 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530430 794126513 /nfs/dbraw/zinc/12/65/13/794126513.db2.gz DLYWJGNMYDFBRK-YUTCNCBUSA-N 1 2 331.376 -1.682 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530430 794126507 /nfs/dbraw/zinc/12/65/07/794126507.db2.gz DLYWJGNMYDFBRK-YUTCNCBUSA-N 1 2 331.376 -1.682 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530692 794127235 /nfs/dbraw/zinc/12/72/35/794127235.db2.gz HOWUHJRFKBIPGU-BNOWGMLFSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530692 794127227 /nfs/dbraw/zinc/12/72/27/794127227.db2.gz HOWUHJRFKBIPGU-BNOWGMLFSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530693 794126338 /nfs/dbraw/zinc/12/63/38/794126338.db2.gz HOWUHJRFKBIPGU-YUTCNCBUSA-N 1 2 333.392 -1.129 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219530693 794126333 /nfs/dbraw/zinc/12/63/33/794126333.db2.gz HOWUHJRFKBIPGU-YUTCNCBUSA-N 1 2 333.392 -1.129 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219532297 794126893 /nfs/dbraw/zinc/12/68/93/794126893.db2.gz SQDCTWIVYVYNLK-KGLIPLIRSA-N 1 2 343.449 -1.013 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001219532297 794126892 /nfs/dbraw/zinc/12/68/92/794126892.db2.gz SQDCTWIVYVYNLK-KGLIPLIRSA-N 1 2 343.449 -1.013 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219535928 794127142 /nfs/dbraw/zinc/12/71/42/794127142.db2.gz IENMGSBSDVTQAR-MDZLAQPJSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219535928 794127134 /nfs/dbraw/zinc/12/71/34/794127134.db2.gz IENMGSBSDVTQAR-MDZLAQPJSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219535929 794126569 /nfs/dbraw/zinc/12/65/69/794126569.db2.gz IENMGSBSDVTQAR-NTZNESFSSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219535929 794126563 /nfs/dbraw/zinc/12/65/63/794126563.db2.gz IENMGSBSDVTQAR-NTZNESFSSA-N 1 2 335.426 -1.976 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219536176 794126183 /nfs/dbraw/zinc/12/61/83/794126183.db2.gz MGEWPYXNSXQXEV-DYEKYZERSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219536176 794126178 /nfs/dbraw/zinc/12/61/78/794126178.db2.gz MGEWPYXNSXQXEV-DYEKYZERSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219536177 794126203 /nfs/dbraw/zinc/12/62/03/794126203.db2.gz MGEWPYXNSXQXEV-MBNYWOFBSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219536177 794126197 /nfs/dbraw/zinc/12/61/97/794126197.db2.gz MGEWPYXNSXQXEV-MBNYWOFBSA-N 1 2 349.453 -1.634 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219536796 794126952 /nfs/dbraw/zinc/12/69/52/794126952.db2.gz ZIVTYCBVBZQKHS-DYEKYZERSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219536796 794126946 /nfs/dbraw/zinc/12/69/46/794126946.db2.gz ZIVTYCBVBZQKHS-DYEKYZERSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219536797 794126436 /nfs/dbraw/zinc/12/64/36/794126436.db2.gz ZIVTYCBVBZQKHS-MBNYWOFBSA-N 1 2 349.453 -1.586 20 30 EAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219536797 794126430 /nfs/dbraw/zinc/12/64/30/794126430.db2.gz ZIVTYCBVBZQKHS-MBNYWOFBSA-N 1 2 349.453 -1.586 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219539300 794126680 /nfs/dbraw/zinc/12/66/80/794126680.db2.gz FKKQUYJSEGCSSP-OLZOCXBDSA-N 1 2 331.438 -1.157 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219539300 794126676 /nfs/dbraw/zinc/12/66/76/794126676.db2.gz FKKQUYJSEGCSSP-OLZOCXBDSA-N 1 2 331.438 -1.157 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219541948 794126585 /nfs/dbraw/zinc/12/65/85/794126585.db2.gz SNOZOUXKWVOSPH-OLZOCXBDSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001219541948 794126581 /nfs/dbraw/zinc/12/65/81/794126581.db2.gz SNOZOUXKWVOSPH-OLZOCXBDSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552773 794130327 /nfs/dbraw/zinc/13/03/27/794130327.db2.gz IZBDIXKRJJQTAF-UPJWGTAASA-N 1 2 333.392 -1.359 20 30 EAEDLO C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552775 794130468 /nfs/dbraw/zinc/13/04/68/794130468.db2.gz IZBDIXKRJJQTAF-XQQFMLRXSA-N 1 2 333.392 -1.359 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219562786 794131166 /nfs/dbraw/zinc/13/11/66/794131166.db2.gz RBLJFQWTEWYNHC-JLLWLGSASA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219562786 794131158 /nfs/dbraw/zinc/13/11/58/794131158.db2.gz RBLJFQWTEWYNHC-JLLWLGSASA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219562787 794131630 /nfs/dbraw/zinc/13/16/30/794131630.db2.gz RBLJFQWTEWYNHC-WCQGTBRESA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219562787 794131627 /nfs/dbraw/zinc/13/16/27/794131627.db2.gz RBLJFQWTEWYNHC-WCQGTBRESA-N 1 2 337.380 -1.227 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219563017 794131386 /nfs/dbraw/zinc/13/13/86/794131386.db2.gz ZBMAEBKXKRYNCY-JLLWLGSASA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219563017 794131377 /nfs/dbraw/zinc/13/13/77/794131377.db2.gz ZBMAEBKXKRYNCY-JLLWLGSASA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219563018 794131744 /nfs/dbraw/zinc/13/17/44/794131744.db2.gz ZBMAEBKXKRYNCY-WCQGTBRESA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219563018 794131741 /nfs/dbraw/zinc/13/17/41/794131741.db2.gz ZBMAEBKXKRYNCY-WCQGTBRESA-N 1 2 335.364 -1.780 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219564960 794132870 /nfs/dbraw/zinc/13/28/70/794132870.db2.gz IZPWETKFWBDXIT-MNOVXSKESA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219564960 794132867 /nfs/dbraw/zinc/13/28/67/794132867.db2.gz IZPWETKFWBDXIT-MNOVXSKESA-N 1 2 327.385 -2.231 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571211 794135873 /nfs/dbraw/zinc/13/58/73/794135873.db2.gz JXCOYNJKONQBGI-TUAOUCFPSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571211 794135869 /nfs/dbraw/zinc/13/58/69/794135869.db2.gz JXCOYNJKONQBGI-TUAOUCFPSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571212 794135837 /nfs/dbraw/zinc/13/58/37/794135837.db2.gz JXCOYNJKONQBGI-UTUOFQBUSA-N 1 2 341.412 -1.843 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571212 794135834 /nfs/dbraw/zinc/13/58/34/794135834.db2.gz JXCOYNJKONQBGI-UTUOFQBUSA-N 1 2 341.412 -1.843 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571551 794135249 /nfs/dbraw/zinc/13/52/49/794135249.db2.gz VLJVUKLXGNFTMI-TUAOUCFPSA-N 1 2 339.396 -2.395 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571551 794135243 /nfs/dbraw/zinc/13/52/43/794135243.db2.gz VLJVUKLXGNFTMI-TUAOUCFPSA-N 1 2 339.396 -2.395 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571552 794135119 /nfs/dbraw/zinc/13/51/19/794135119.db2.gz VLJVUKLXGNFTMI-UTUOFQBUSA-N 1 2 339.396 -2.395 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571552 794135116 /nfs/dbraw/zinc/13/51/16/794135116.db2.gz VLJVUKLXGNFTMI-UTUOFQBUSA-N 1 2 339.396 -2.395 20 30 EAEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001219573349 794135077 /nfs/dbraw/zinc/13/50/77/794135077.db2.gz RRYCQSGIDYWRPL-KGLIPLIRSA-N 1 2 348.403 -1.595 20 30 EAEDLO 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-1.292 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219720271 794161778 /nfs/dbraw/zinc/16/17/78/794161778.db2.gz IRPUKKCPWRFQRN-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219720271 794161768 /nfs/dbraw/zinc/16/17/68/794161768.db2.gz IRPUKKCPWRFQRN-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219722093 794162734 /nfs/dbraw/zinc/16/27/34/794162734.db2.gz QVGCKGMDRRFSKO-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219722093 794162730 /nfs/dbraw/zinc/16/27/30/794162730.db2.gz QVGCKGMDRRFSKO-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219725786 794163704 /nfs/dbraw/zinc/16/37/04/794163704.db2.gz JIKJORKSTYPRDB-CFVMTHIKSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219725786 794163701 /nfs/dbraw/zinc/16/37/01/794163701.db2.gz JIKJORKSTYPRDB-CFVMTHIKSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219725787 794163469 /nfs/dbraw/zinc/16/34/69/794163469.db2.gz JIKJORKSTYPRDB-YUELXQCFSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 ZINC001219725787 794163463 /nfs/dbraw/zinc/16/34/63/794163463.db2.gz JIKJORKSTYPRDB-YUELXQCFSA-N 1 2 347.419 -1.348 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219727465 794164365 /nfs/dbraw/zinc/16/43/65/794164365.db2.gz KTAQWOJFDAYOQT-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219727465 794164357 /nfs/dbraw/zinc/16/43/57/794164357.db2.gz KTAQWOJFDAYOQT-KGLIPLIRSA-N 1 2 335.408 -1.184 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219729645 794164242 /nfs/dbraw/zinc/16/42/42/794164242.db2.gz CCTFYLBPRZYMNW-CFVMTHIKSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219729645 794164237 /nfs/dbraw/zinc/16/42/37/794164237.db2.gz CCTFYLBPRZYMNW-CFVMTHIKSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219729646 794164165 /nfs/dbraw/zinc/16/41/65/794164165.db2.gz CCTFYLBPRZYMNW-YUELXQCFSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001219729646 794164157 /nfs/dbraw/zinc/16/41/57/794164157.db2.gz CCTFYLBPRZYMNW-YUELXQCFSA-N 1 2 347.419 -1.348 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219729920 794163672 /nfs/dbraw/zinc/16/36/72/794163672.db2.gz OLDICIWYARJNOJ-KGLIPLIRSA-N 1 2 325.409 -1.088 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219729920 794163667 /nfs/dbraw/zinc/16/36/67/794163667.db2.gz OLDICIWYARJNOJ-KGLIPLIRSA-N 1 2 325.409 -1.088 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219733209 794165354 /nfs/dbraw/zinc/16/53/54/794165354.db2.gz DFYJFWVXRJSUFW-MNOVXSKESA-N 1 2 348.425 -2.611 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219733209 794165349 /nfs/dbraw/zinc/16/53/49/794165349.db2.gz DFYJFWVXRJSUFW-MNOVXSKESA-N 1 2 348.425 -2.611 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734955 794168422 /nfs/dbraw/zinc/16/84/22/794168422.db2.gz MLEDPQCHIPHCIW-NEPJUHHUSA-N 1 2 333.410 -2.263 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734955 794168419 /nfs/dbraw/zinc/16/84/19/794168419.db2.gz MLEDPQCHIPHCIW-NEPJUHHUSA-N 1 2 333.410 -2.263 20 30 EAEDLO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001219735047 794168725 /nfs/dbraw/zinc/16/87/25/794168725.db2.gz RFPRPOWRXZVLJI-NEPJUHHUSA-N 1 2 333.410 -2.263 20 30 EAEDLO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001219735047 794168724 /nfs/dbraw/zinc/16/87/24/794168724.db2.gz RFPRPOWRXZVLJI-NEPJUHHUSA-N 1 2 333.410 -2.263 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736048 794168596 /nfs/dbraw/zinc/16/85/96/794168596.db2.gz FWTQNWAQQDDIGJ-NEPJUHHUSA-N 1 2 333.410 -2.311 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736048 794168594 /nfs/dbraw/zinc/16/85/94/794168594.db2.gz FWTQNWAQQDDIGJ-NEPJUHHUSA-N 1 2 333.410 -2.311 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219740928 794171064 /nfs/dbraw/zinc/17/10/64/794171064.db2.gz QNDZVODQTSOSSL-OLZOCXBDSA-N 1 2 327.381 -2.098 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219740928 794171058 /nfs/dbraw/zinc/17/10/58/794171058.db2.gz QNDZVODQTSOSSL-OLZOCXBDSA-N 1 2 327.381 -2.098 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742387 794172157 /nfs/dbraw/zinc/17/21/57/794172157.db2.gz FEBAGYODDYQKCT-NEPJUHHUSA-N 1 2 342.396 -2.397 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742387 794172150 /nfs/dbraw/zinc/17/21/50/794172150.db2.gz FEBAGYODDYQKCT-NEPJUHHUSA-N 1 2 342.396 -2.397 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742559 794172504 /nfs/dbraw/zinc/17/25/04/794172504.db2.gz JPHULROGJXIWQP-OLZOCXBDSA-N 1 2 327.381 -2.050 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742559 794172496 /nfs/dbraw/zinc/17/24/96/794172496.db2.gz JPHULROGJXIWQP-OLZOCXBDSA-N 1 2 327.381 -2.050 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219744388 794174698 /nfs/dbraw/zinc/17/46/98/794174698.db2.gz CMZMPMOWABNBBJ-UPJWGTAASA-N 1 2 337.376 -1.665 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219744388 794174693 /nfs/dbraw/zinc/17/46/93/794174693.db2.gz CMZMPMOWABNBBJ-UPJWGTAASA-N 1 2 337.376 -1.665 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219744389 794175278 /nfs/dbraw/zinc/17/52/78/794175278.db2.gz CMZMPMOWABNBBJ-XQQFMLRXSA-N 1 2 337.376 -1.665 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219744389 794175276 /nfs/dbraw/zinc/17/52/76/794175276.db2.gz CMZMPMOWABNBBJ-XQQFMLRXSA-N 1 2 337.376 -1.665 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 ZINC001219748267 794175144 /nfs/dbraw/zinc/17/51/44/794175144.db2.gz PEKWPDKNDCGNAL-KGLIPLIRSA-N 1 2 348.403 -1.298 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 ZINC001219748267 794175141 /nfs/dbraw/zinc/17/51/41/794175141.db2.gz PEKWPDKNDCGNAL-KGLIPLIRSA-N 1 2 348.403 -1.298 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219751849 794175841 /nfs/dbraw/zinc/17/58/41/794175841.db2.gz FTKXTXBJUHAQHH-AXFHLTTASA-N 1 2 325.369 -2.785 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219751849 794175837 /nfs/dbraw/zinc/17/58/37/794175837.db2.gz FTKXTXBJUHAQHH-AXFHLTTASA-N 1 2 325.369 -2.785 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219751850 794175875 /nfs/dbraw/zinc/17/58/75/794175875.db2.gz FTKXTXBJUHAQHH-MXWKQRLJSA-N 1 2 325.369 -2.785 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219751850 794175872 /nfs/dbraw/zinc/17/58/72/794175872.db2.gz FTKXTXBJUHAQHH-MXWKQRLJSA-N 1 2 325.369 -2.785 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752046 794176666 /nfs/dbraw/zinc/17/66/66/794176666.db2.gz MVZDVWRZWULJCQ-AXFHLTTASA-N 1 2 327.385 -2.233 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752046 794176662 /nfs/dbraw/zinc/17/66/62/794176662.db2.gz MVZDVWRZWULJCQ-AXFHLTTASA-N 1 2 327.385 -2.233 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752047 794176512 /nfs/dbraw/zinc/17/65/12/794176512.db2.gz MVZDVWRZWULJCQ-MXWKQRLJSA-N 1 2 327.385 -2.233 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752047 794176508 /nfs/dbraw/zinc/17/65/08/794176508.db2.gz MVZDVWRZWULJCQ-MXWKQRLJSA-N 1 2 327.385 -2.233 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001219752095 794175815 /nfs/dbraw/zinc/17/58/15/794175815.db2.gz OOYMQVWTWIJFMI-OLZOCXBDSA-N 1 2 345.421 -2.167 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001219752095 794175810 /nfs/dbraw/zinc/17/58/10/794175810.db2.gz OOYMQVWTWIJFMI-OLZOCXBDSA-N 1 2 345.421 -2.167 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C2)C1=O ZINC001219755650 794177895 /nfs/dbraw/zinc/17/78/95/794177895.db2.gz FHMBWTDXGSEGJW-UTUOFQBUSA-N 1 2 339.396 -2.136 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C2)C1=O ZINC001219755650 794177891 /nfs/dbraw/zinc/17/78/91/794177891.db2.gz FHMBWTDXGSEGJW-UTUOFQBUSA-N 1 2 339.396 -2.136 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C2)C1=O ZINC001219755651 794178006 /nfs/dbraw/zinc/17/80/06/794178006.db2.gz FHMBWTDXGSEGJW-WOPDTQHZSA-N 1 2 339.396 -2.136 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C2)C1=O ZINC001219755651 794178002 /nfs/dbraw/zinc/17/80/02/794178002.db2.gz FHMBWTDXGSEGJW-WOPDTQHZSA-N 1 2 339.396 -2.136 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H](O)C1 ZINC001219758076 794179200 /nfs/dbraw/zinc/17/92/00/794179200.db2.gz DCUNOUUTPLTGAR-OLZOCXBDSA-N 1 2 330.348 -1.222 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H](O)C1 ZINC001219758076 794179197 /nfs/dbraw/zinc/17/91/97/794179197.db2.gz DCUNOUUTPLTGAR-OLZOCXBDSA-N 1 2 330.348 -1.222 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001219770046 794181053 /nfs/dbraw/zinc/18/10/53/794181053.db2.gz DQWOXUVVCDMPQE-CFVMTHIKSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001219770046 794181047 /nfs/dbraw/zinc/18/10/47/794181047.db2.gz DQWOXUVVCDMPQE-CFVMTHIKSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001219770047 794180805 /nfs/dbraw/zinc/18/08/05/794180805.db2.gz DQWOXUVVCDMPQE-YUELXQCFSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 ZINC001219770047 794180796 /nfs/dbraw/zinc/18/07/96/794180796.db2.gz DQWOXUVVCDMPQE-YUELXQCFSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219779723 794180596 /nfs/dbraw/zinc/18/05/96/794180596.db2.gz BXJWWZZBSAGRQW-MCIONIFRSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219779723 794180589 /nfs/dbraw/zinc/18/05/89/794180589.db2.gz BXJWWZZBSAGRQW-MCIONIFRSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219779724 794181376 /nfs/dbraw/zinc/18/13/76/794181376.db2.gz BXJWWZZBSAGRQW-RDBSUJKOSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CCOCC1 ZINC001219779724 794181372 /nfs/dbraw/zinc/18/13/72/794181372.db2.gz BXJWWZZBSAGRQW-RDBSUJKOSA-N 1 2 335.404 -1.144 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788530 794181395 /nfs/dbraw/zinc/18/13/95/794181395.db2.gz CDWGHPQQMJKLRO-MCIONIFRSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788530 794181390 /nfs/dbraw/zinc/18/13/90/794181390.db2.gz CDWGHPQQMJKLRO-MCIONIFRSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788531 794180367 /nfs/dbraw/zinc/18/03/67/794180367.db2.gz CDWGHPQQMJKLRO-MJBXVCDLSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219788531 794180364 /nfs/dbraw/zinc/18/03/64/794180364.db2.gz CDWGHPQQMJKLRO-MJBXVCDLSA-N 1 2 348.407 -1.643 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219790823 794182542 /nfs/dbraw/zinc/18/25/42/794182542.db2.gz OFQKYKHDEDIATC-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219790823 794182538 /nfs/dbraw/zinc/18/25/38/794182538.db2.gz OFQKYKHDEDIATC-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219790913 794182285 /nfs/dbraw/zinc/18/22/85/794182285.db2.gz ORDACEBVCOIYSI-UPJWGTAASA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219790913 794182280 /nfs/dbraw/zinc/18/22/80/794182280.db2.gz ORDACEBVCOIYSI-UPJWGTAASA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219790917 794182717 /nfs/dbraw/zinc/18/27/17/794182717.db2.gz ORDACEBVCOIYSI-XQQFMLRXSA-N 1 2 338.408 -1.634 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219790917 794182711 /nfs/dbraw/zinc/18/27/11/794182711.db2.gz ORDACEBVCOIYSI-XQQFMLRXSA-N 1 2 338.408 -1.634 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001219794570 794183828 /nfs/dbraw/zinc/18/38/28/794183828.db2.gz FNXGGTUSQHIGNC-GDLCADMTSA-N 1 2 334.376 -1.175 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001219794570 794183822 /nfs/dbraw/zinc/18/38/22/794183822.db2.gz FNXGGTUSQHIGNC-GDLCADMTSA-N 1 2 334.376 -1.175 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001219794571 794184029 /nfs/dbraw/zinc/18/40/29/794184029.db2.gz FNXGGTUSQHIGNC-HONMWMINSA-N 1 2 334.376 -1.175 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001219794571 794184008 /nfs/dbraw/zinc/18/40/08/794184008.db2.gz FNXGGTUSQHIGNC-HONMWMINSA-N 1 2 334.376 -1.175 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001219794643 794184101 /nfs/dbraw/zinc/18/41/01/794184101.db2.gz IIVXVNFHETUNQY-CABCVRRESA-N 1 2 333.392 -1.033 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001219794643 794184096 /nfs/dbraw/zinc/18/40/96/794184096.db2.gz IIVXVNFHETUNQY-CABCVRRESA-N 1 2 333.392 -1.033 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001219808519 794185873 /nfs/dbraw/zinc/18/58/73/794185873.db2.gz NZXXLEPSUNZWBG-OLZOCXBDSA-N 1 2 325.365 -2.344 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001219808519 794185871 /nfs/dbraw/zinc/18/58/71/794185871.db2.gz NZXXLEPSUNZWBG-OLZOCXBDSA-N 1 2 325.365 -2.344 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@@H](O)C1 ZINC001219812115 794188476 /nfs/dbraw/zinc/18/84/76/794188476.db2.gz NBNOVJCTOOVOJM-OLZOCXBDSA-N 1 2 330.348 -1.222 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@@H](O)C1 ZINC001219812115 794188471 /nfs/dbraw/zinc/18/84/71/794188471.db2.gz NBNOVJCTOOVOJM-OLZOCXBDSA-N 1 2 330.348 -1.222 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001219813992 794187415 /nfs/dbraw/zinc/18/74/15/794187415.db2.gz NUBUMGGWHGLBGT-CFVMTHIKSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001219813992 794187408 /nfs/dbraw/zinc/18/74/08/794187408.db2.gz NUBUMGGWHGLBGT-CFVMTHIKSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001219813993 794187204 /nfs/dbraw/zinc/18/72/04/794187204.db2.gz NUBUMGGWHGLBGT-YUELXQCFSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 ZINC001219813993 794187202 /nfs/dbraw/zinc/18/72/02/794187202.db2.gz NUBUMGGWHGLBGT-YUELXQCFSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O ZINC001219821135 794189843 /nfs/dbraw/zinc/18/98/43/794189843.db2.gz BOVGHMXSDSTCQS-RDBSUJKOSA-N 1 2 333.392 -2.115 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O ZINC001219821135 794189837 /nfs/dbraw/zinc/18/98/37/794189837.db2.gz BOVGHMXSDSTCQS-RDBSUJKOSA-N 1 2 333.392 -2.115 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@@H]1O ZINC001219821160 794189044 /nfs/dbraw/zinc/18/90/44/794189044.db2.gz CKNLWEHJRAHXDF-ILXRZTDVSA-N 1 2 334.420 -1.453 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@@H]1O ZINC001219821160 794189035 /nfs/dbraw/zinc/18/90/35/794189035.db2.gz CKNLWEHJRAHXDF-ILXRZTDVSA-N 1 2 334.420 -1.453 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)[C@@H](O)C1 ZINC001219821231 794189635 /nfs/dbraw/zinc/18/96/35/794189635.db2.gz GLNBIVAQYWKJHB-ILXRZTDVSA-N 1 2 332.404 -2.005 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)[C@@H](O)C1 ZINC001219821231 794189633 /nfs/dbraw/zinc/18/96/33/794189633.db2.gz GLNBIVAQYWKJHB-ILXRZTDVSA-N 1 2 332.404 -2.005 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219821470 794189674 /nfs/dbraw/zinc/18/96/74/794189674.db2.gz MSYCCHZZJYXDGH-WOPDTQHZSA-N 1 2 337.380 -2.560 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219821470 794189672 /nfs/dbraw/zinc/18/96/72/794189672.db2.gz MSYCCHZZJYXDGH-WOPDTQHZSA-N 1 2 337.380 -2.560 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001219821536 794190023 /nfs/dbraw/zinc/19/00/23/794190023.db2.gz PUTCWTPOUAIRKF-PMPSAXMXSA-N 1 2 348.447 -1.229 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001219821536 794190017 /nfs/dbraw/zinc/19/00/17/794190017.db2.gz PUTCWTPOUAIRKF-PMPSAXMXSA-N 1 2 348.447 -1.229 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O ZINC001219821547 794189617 /nfs/dbraw/zinc/18/96/17/794189617.db2.gz QFBNISDIGRAGHU-ILXRZTDVSA-N 1 2 336.436 -1.229 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O ZINC001219821547 794189615 /nfs/dbraw/zinc/18/96/15/794189615.db2.gz QFBNISDIGRAGHU-ILXRZTDVSA-N 1 2 336.436 -1.229 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O ZINC001219821559 794189571 /nfs/dbraw/zinc/18/95/71/794189571.db2.gz QSRBAGUWJOYYHD-ILXRZTDVSA-N 1 2 336.436 -1.276 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O ZINC001219821559 794189568 /nfs/dbraw/zinc/18/95/68/794189568.db2.gz QSRBAGUWJOYYHD-ILXRZTDVSA-N 1 2 336.436 -1.276 20 30 EAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O ZINC001219821742 794189109 /nfs/dbraw/zinc/18/91/09/794189109.db2.gz WGMLVYVCKJTOIU-ILXRZTDVSA-N 1 2 336.436 -1.230 20 30 EAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O ZINC001219821742 794189102 /nfs/dbraw/zinc/18/91/02/794189102.db2.gz WGMLVYVCKJTOIU-ILXRZTDVSA-N 1 2 336.436 -1.230 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822092 794189669 /nfs/dbraw/zinc/18/96/69/794189669.db2.gz CFKKISJCFJECLO-RTXFEEFZSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822092 794189668 /nfs/dbraw/zinc/18/96/68/794189668.db2.gz CFKKISJCFJECLO-RTXFEEFZSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822093 794188930 /nfs/dbraw/zinc/18/89/30/794188930.db2.gz CFKKISJCFJECLO-UHTWSYAYSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822093 794188922 /nfs/dbraw/zinc/18/89/22/794188922.db2.gz CFKKISJCFJECLO-UHTWSYAYSA-N 1 2 347.375 -2.307 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822668 794188795 /nfs/dbraw/zinc/18/87/95/794188795.db2.gz SBLZXRIGEMVULK-RTXFEEFZSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822668 794188790 /nfs/dbraw/zinc/18/87/90/794188790.db2.gz SBLZXRIGEMVULK-RTXFEEFZSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822669 794189770 /nfs/dbraw/zinc/18/97/70/794189770.db2.gz SBLZXRIGEMVULK-UHTWSYAYSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822669 794189769 /nfs/dbraw/zinc/18/97/69/794189769.db2.gz SBLZXRIGEMVULK-UHTWSYAYSA-N 1 2 349.391 -1.754 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001219824799 794188902 /nfs/dbraw/zinc/18/89/02/794188902.db2.gz QWTFDNMHMSNTFP-BNOWGMLFSA-N 1 2 347.419 -1.186 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001219824799 794188893 /nfs/dbraw/zinc/18/88/93/794188893.db2.gz QWTFDNMHMSNTFP-BNOWGMLFSA-N 1 2 347.419 -1.186 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001219824800 794189237 /nfs/dbraw/zinc/18/92/37/794189237.db2.gz QWTFDNMHMSNTFP-YUTCNCBUSA-N 1 2 347.419 -1.186 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](O)C1 ZINC001219824800 794189231 /nfs/dbraw/zinc/18/92/31/794189231.db2.gz QWTFDNMHMSNTFP-YUTCNCBUSA-N 1 2 347.419 -1.186 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001219828191 794191023 /nfs/dbraw/zinc/19/10/23/794191023.db2.gz ZQRGQCVWRMOBJC-OCCSQVGLSA-N 1 2 334.376 -1.162 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001219828191 794191019 /nfs/dbraw/zinc/19/10/19/794191019.db2.gz ZQRGQCVWRMOBJC-OCCSQVGLSA-N 1 2 334.376 -1.162 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219840963 794193532 /nfs/dbraw/zinc/19/35/32/794193532.db2.gz ALLPPFMZACMELC-AXFHLTTASA-N 1 2 326.397 -1.650 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219840963 794193531 /nfs/dbraw/zinc/19/35/31/794193531.db2.gz ALLPPFMZACMELC-AXFHLTTASA-N 1 2 326.397 -1.650 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219840965 794193445 /nfs/dbraw/zinc/19/34/45/794193445.db2.gz ALLPPFMZACMELC-MXWKQRLJSA-N 1 2 326.397 -1.650 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219840965 794193444 /nfs/dbraw/zinc/19/34/44/794193444.db2.gz ALLPPFMZACMELC-MXWKQRLJSA-N 1 2 326.397 -1.650 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001219841856 794194842 /nfs/dbraw/zinc/19/48/42/794194842.db2.gz BDFHNTPARHALFS-RTXFEEFZSA-N 1 2 336.417 -1.015 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001219841856 794194838 /nfs/dbraw/zinc/19/48/38/794194838.db2.gz BDFHNTPARHALFS-RTXFEEFZSA-N 1 2 336.417 -1.015 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001219841857 794194612 /nfs/dbraw/zinc/19/46/12/794194612.db2.gz BDFHNTPARHALFS-UHTWSYAYSA-N 1 2 336.417 -1.015 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001219841857 794194603 /nfs/dbraw/zinc/19/46/03/794194603.db2.gz BDFHNTPARHALFS-UHTWSYAYSA-N 1 2 336.417 -1.015 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)C1=O ZINC001219847035 794196822 /nfs/dbraw/zinc/19/68/22/794196822.db2.gz PKZOCLJVHSIGPH-UTUOFQBUSA-N 1 2 338.408 -1.554 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)C1=O ZINC001219847035 794196817 /nfs/dbraw/zinc/19/68/17/794196817.db2.gz PKZOCLJVHSIGPH-UTUOFQBUSA-N 1 2 338.408 -1.554 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)C1=O ZINC001219847036 794195830 /nfs/dbraw/zinc/19/58/30/794195830.db2.gz PKZOCLJVHSIGPH-WOPDTQHZSA-N 1 2 338.408 -1.554 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)C1=O ZINC001219847036 794195823 /nfs/dbraw/zinc/19/58/23/794195823.db2.gz PKZOCLJVHSIGPH-WOPDTQHZSA-N 1 2 338.408 -1.554 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219847889 794196712 /nfs/dbraw/zinc/19/67/12/794196712.db2.gz BTUOSXMDYKUTHP-JLLWLGSASA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219847889 794196707 /nfs/dbraw/zinc/19/67/07/794196707.db2.gz BTUOSXMDYKUTHP-JLLWLGSASA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219847891 794196662 /nfs/dbraw/zinc/19/66/62/794196662.db2.gz BTUOSXMDYKUTHP-WCQGTBRESA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219847891 794196654 /nfs/dbraw/zinc/19/66/54/794196654.db2.gz BTUOSXMDYKUTHP-WCQGTBRESA-N 1 2 335.364 -1.352 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848387 794196286 /nfs/dbraw/zinc/19/62/86/794196286.db2.gz LSUKIUOGSUVLGE-JLLWLGSASA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848387 794196283 /nfs/dbraw/zinc/19/62/83/794196283.db2.gz LSUKIUOGSUVLGE-JLLWLGSASA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848392 794196573 /nfs/dbraw/zinc/19/65/73/794196573.db2.gz LSUKIUOGSUVLGE-WCQGTBRESA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219848392 794196569 /nfs/dbraw/zinc/19/65/69/794196569.db2.gz LSUKIUOGSUVLGE-WCQGTBRESA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849595 794195609 /nfs/dbraw/zinc/19/56/09/794195609.db2.gz MDHZEMRZFJCIMH-AXFHLTTASA-N 1 2 335.364 -1.663 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849595 794195606 /nfs/dbraw/zinc/19/56/06/794195606.db2.gz MDHZEMRZFJCIMH-AXFHLTTASA-N 1 2 335.364 -1.663 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849596 794196009 /nfs/dbraw/zinc/19/60/09/794196009.db2.gz MDHZEMRZFJCIMH-MXWKQRLJSA-N 1 2 335.364 -1.663 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849596 794196006 /nfs/dbraw/zinc/19/60/06/794196006.db2.gz MDHZEMRZFJCIMH-MXWKQRLJSA-N 1 2 335.364 -1.663 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849991 794197746 /nfs/dbraw/zinc/19/77/46/794197746.db2.gz XKCCMYAOUHIQGZ-AXFHLTTASA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849991 794197744 /nfs/dbraw/zinc/19/77/44/794197744.db2.gz XKCCMYAOUHIQGZ-AXFHLTTASA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849993 794198086 /nfs/dbraw/zinc/19/80/86/794198086.db2.gz XKCCMYAOUHIQGZ-MXWKQRLJSA-N 1 2 337.380 -1.111 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219849993 794198078 /nfs/dbraw/zinc/19/80/78/794198078.db2.gz XKCCMYAOUHIQGZ-MXWKQRLJSA-N 1 2 337.380 -1.111 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 ZINC001219855066 794197275 /nfs/dbraw/zinc/19/72/75/794197275.db2.gz KIRAECQUIYMUPZ-HIFRSBDPSA-N 1 2 336.392 -1.046 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 ZINC001219855066 794197269 /nfs/dbraw/zinc/19/72/69/794197269.db2.gz KIRAECQUIYMUPZ-HIFRSBDPSA-N 1 2 336.392 -1.046 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219856775 794199559 /nfs/dbraw/zinc/19/95/59/794199559.db2.gz AZIHSWSNUGVRMO-UPJWGTAASA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219856775 794199554 /nfs/dbraw/zinc/19/95/54/794199554.db2.gz AZIHSWSNUGVRMO-UPJWGTAASA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219856776 794198734 /nfs/dbraw/zinc/19/87/34/794198734.db2.gz AZIHSWSNUGVRMO-XQQFMLRXSA-N 1 2 338.408 -1.682 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001219856776 794198732 /nfs/dbraw/zinc/19/87/32/794198732.db2.gz AZIHSWSNUGVRMO-XQQFMLRXSA-N 1 2 338.408 -1.682 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856981 794198970 /nfs/dbraw/zinc/19/89/70/794198970.db2.gz PWMVDXQBBJELBO-JLLWLGSASA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856981 794198963 /nfs/dbraw/zinc/19/89/63/794198963.db2.gz PWMVDXQBBJELBO-JLLWLGSASA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856982 794199515 /nfs/dbraw/zinc/19/95/15/794199515.db2.gz PWMVDXQBBJELBO-WCQGTBRESA-N 1 2 333.348 -1.905 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219856982 794199509 /nfs/dbraw/zinc/19/95/09/794199509.db2.gz PWMVDXQBBJELBO-WCQGTBRESA-N 1 2 333.348 -1.905 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857016 794198788 /nfs/dbraw/zinc/19/87/88/794198788.db2.gz RYBXIIBRGYHZMA-KGLIPLIRSA-N 1 2 336.392 -1.252 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 ZINC001219857016 794198785 /nfs/dbraw/zinc/19/87/85/794198785.db2.gz RYBXIIBRGYHZMA-KGLIPLIRSA-N 1 2 336.392 -1.252 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219857083 794199004 /nfs/dbraw/zinc/19/90/04/794199004.db2.gz XPYKQRYWVWYAOE-JLLWLGSASA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219857083 794198998 /nfs/dbraw/zinc/19/89/98/794198998.db2.gz XPYKQRYWVWYAOE-JLLWLGSASA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219857084 794198890 /nfs/dbraw/zinc/19/88/90/794198890.db2.gz XPYKQRYWVWYAOE-WCQGTBRESA-N 1 2 335.364 -1.352 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001219857084 794198885 /nfs/dbraw/zinc/19/88/85/794198885.db2.gz XPYKQRYWVWYAOE-WCQGTBRESA-N 1 2 335.364 -1.352 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860201 794199382 /nfs/dbraw/zinc/19/93/82/794199382.db2.gz AMTOICUXYAXTGX-OLZOCXBDSA-N 1 2 334.376 -1.189 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001219860201 794199374 /nfs/dbraw/zinc/19/93/74/794199374.db2.gz AMTOICUXYAXTGX-OLZOCXBDSA-N 1 2 334.376 -1.189 20 30 EAEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c[nH+]1 ZINC001219864326 794200708 /nfs/dbraw/zinc/20/07/08/794200708.db2.gz NNXBIRYJYOIUSM-OLZOCXBDSA-N 1 2 348.407 -1.272 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864389 794200760 /nfs/dbraw/zinc/20/07/60/794200760.db2.gz PDXFYQDHONUVRS-CABCVRRESA-N 1 2 336.392 -1.252 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864389 794200755 /nfs/dbraw/zinc/20/07/55/794200755.db2.gz PDXFYQDHONUVRS-CABCVRRESA-N 1 2 336.392 -1.252 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864544 794200896 /nfs/dbraw/zinc/20/08/96/794200896.db2.gz SXJSWRFKZUUALK-KGLIPLIRSA-N 1 2 347.419 -1.163 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001219875956 794202994 /nfs/dbraw/zinc/20/29/94/794202994.db2.gz MFNCHKLNXLOFCS-OCCSQVGLSA-N 1 2 334.376 -1.162 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001219875956 794202989 /nfs/dbraw/zinc/20/29/89/794202989.db2.gz MFNCHKLNXLOFCS-OCCSQVGLSA-N 1 2 334.376 -1.162 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001219891784 794206706 /nfs/dbraw/zinc/20/67/06/794206706.db2.gz DLCZYNTWCKHJER-OLZOCXBDSA-N 1 2 334.376 -1.538 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 ZINC001219891784 794206698 /nfs/dbraw/zinc/20/66/98/794206698.db2.gz DLCZYNTWCKHJER-OLZOCXBDSA-N 1 2 334.376 -1.538 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893637 794206078 /nfs/dbraw/zinc/20/60/78/794206078.db2.gz IRBWFAFSFSORDE-CFVMTHIKSA-N 1 2 345.403 -1.644 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893638 794206225 /nfs/dbraw/zinc/20/62/25/794206225.db2.gz IRBWFAFSFSORDE-YUELXQCFSA-N 1 2 345.403 -1.644 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893705 794207459 /nfs/dbraw/zinc/20/74/59/794207459.db2.gz KBLNOSPNOXVBCI-BNOWGMLFSA-N 1 2 346.391 -1.753 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893707 794208200 /nfs/dbraw/zinc/20/82/00/794208200.db2.gz KBLNOSPNOXVBCI-YUTCNCBUSA-N 1 2 346.391 -1.753 20 30 EAEDLO C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893785 794208176 /nfs/dbraw/zinc/20/81/76/794208176.db2.gz 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COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H](O)C1 ZINC001219980379 794225536 /nfs/dbraw/zinc/22/55/36/794225536.db2.gz LVMJNROZGRFYES-NEPJUHHUSA-N 1 2 330.348 -1.222 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 ZINC001219980430 794225488 /nfs/dbraw/zinc/22/54/88/794225488.db2.gz ORWJGYFCQRREAE-CABCVRRESA-N 1 2 336.392 -1.046 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 ZINC001219980430 794225482 /nfs/dbraw/zinc/22/54/82/794225482.db2.gz ORWJGYFCQRREAE-CABCVRRESA-N 1 2 336.392 -1.046 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001219994910 794226749 /nfs/dbraw/zinc/22/67/49/794226749.db2.gz LRSYQUYAQPZMQC-YPMHNXCESA-N 1 2 342.359 -1.251 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001219996139 794227094 /nfs/dbraw/zinc/22/70/94/794227094.db2.gz IRZROYDMBYTGMV-KGLIPLIRSA-N 1 2 335.408 -1.265 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001219996139 794227086 /nfs/dbraw/zinc/22/70/86/794227086.db2.gz IRZROYDMBYTGMV-KGLIPLIRSA-N 1 2 335.408 -1.265 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001219998406 794227748 /nfs/dbraw/zinc/22/77/48/794227748.db2.gz JIKDYEDFQGAYLC-CFVMTHIKSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001219998406 794227743 /nfs/dbraw/zinc/22/77/43/794227743.db2.gz JIKDYEDFQGAYLC-CFVMTHIKSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001219998407 794226898 /nfs/dbraw/zinc/22/68/98/794226898.db2.gz JIKDYEDFQGAYLC-YUELXQCFSA-N 1 2 347.419 -1.430 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 ZINC001219998407 794226896 /nfs/dbraw/zinc/22/68/96/794226896.db2.gz JIKDYEDFQGAYLC-YUELXQCFSA-N 1 2 347.419 -1.430 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001219998631 794227383 /nfs/dbraw/zinc/22/73/83/794227383.db2.gz VVCYKEAITSKJKS-OLZOCXBDSA-N 1 2 330.348 -1.451 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001219998631 794227374 /nfs/dbraw/zinc/22/73/74/794227374.db2.gz VVCYKEAITSKJKS-OLZOCXBDSA-N 1 2 330.348 -1.451 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220000915 794227632 /nfs/dbraw/zinc/22/76/32/794227632.db2.gz XXMZSUQPYGYSGM-UPJWGTAASA-N 1 2 325.409 -1.042 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220000915 794227627 /nfs/dbraw/zinc/22/76/27/794227627.db2.gz XXMZSUQPYGYSGM-UPJWGTAASA-N 1 2 325.409 -1.042 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220000916 794228997 /nfs/dbraw/zinc/22/89/97/794228997.db2.gz XXMZSUQPYGYSGM-XQQFMLRXSA-N 1 2 325.409 -1.042 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220000916 794228993 /nfs/dbraw/zinc/22/89/93/794228993.db2.gz XXMZSUQPYGYSGM-XQQFMLRXSA-N 1 2 325.409 -1.042 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220011672 794230777 /nfs/dbraw/zinc/23/07/77/794230777.db2.gz ZXGRSZFMRMWYLV-CFVMTHIKSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220011672 794230772 /nfs/dbraw/zinc/23/07/72/794230772.db2.gz ZXGRSZFMRMWYLV-CFVMTHIKSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220011673 794230881 /nfs/dbraw/zinc/23/08/81/794230881.db2.gz ZXGRSZFMRMWYLV-YUELXQCFSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220011673 794230872 /nfs/dbraw/zinc/23/08/72/794230872.db2.gz ZXGRSZFMRMWYLV-YUELXQCFSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220014341 794229886 /nfs/dbraw/zinc/22/98/86/794229886.db2.gz DIIGBAUQERINDL-BNOWGMLFSA-N 1 2 334.376 -1.094 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220014341 794229881 /nfs/dbraw/zinc/22/98/81/794229881.db2.gz DIIGBAUQERINDL-BNOWGMLFSA-N 1 2 334.376 -1.094 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220014342 794230257 /nfs/dbraw/zinc/23/02/57/794230257.db2.gz DIIGBAUQERINDL-YUTCNCBUSA-N 1 2 334.376 -1.094 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220014342 794230248 /nfs/dbraw/zinc/23/02/48/794230248.db2.gz DIIGBAUQERINDL-YUTCNCBUSA-N 1 2 334.376 -1.094 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220014363 794230660 /nfs/dbraw/zinc/23/06/60/794230660.db2.gz FQQMBKQMJUQKRX-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220014363 794230655 /nfs/dbraw/zinc/23/06/55/794230655.db2.gz FQQMBKQMJUQKRX-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220022910 794230399 /nfs/dbraw/zinc/23/03/99/794230399.db2.gz QSIDMNANKHVTRD-BNOWGMLFSA-N 1 2 346.387 -1.371 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220022910 794230395 /nfs/dbraw/zinc/23/03/95/794230395.db2.gz QSIDMNANKHVTRD-BNOWGMLFSA-N 1 2 346.387 -1.371 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220022911 794230797 /nfs/dbraw/zinc/23/07/97/794230797.db2.gz QSIDMNANKHVTRD-YUTCNCBUSA-N 1 2 346.387 -1.371 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220022911 794230793 /nfs/dbraw/zinc/23/07/93/794230793.db2.gz QSIDMNANKHVTRD-YUTCNCBUSA-N 1 2 346.387 -1.371 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220023036 794230138 /nfs/dbraw/zinc/23/01/38/794230138.db2.gz WHEWODPMVOGARH-OLZOCXBDSA-N 1 2 334.376 -1.207 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220023036 794230133 /nfs/dbraw/zinc/23/01/33/794230133.db2.gz WHEWODPMVOGARH-OLZOCXBDSA-N 1 2 334.376 -1.207 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001220026522 794232536 /nfs/dbraw/zinc/23/25/36/794232536.db2.gz UDQVXMJIRYPSHV-KGLIPLIRSA-N 1 2 344.375 -1.212 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001220026522 794232528 /nfs/dbraw/zinc/23/25/28/794232528.db2.gz UDQVXMJIRYPSHV-KGLIPLIRSA-N 1 2 344.375 -1.212 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040869 794232254 /nfs/dbraw/zinc/23/22/54/794232254.db2.gz KZMODZAQEQETMB-LOWVWBTDSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040869 794232251 /nfs/dbraw/zinc/23/22/51/794232251.db2.gz KZMODZAQEQETMB-LOWVWBTDSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040870 794232417 /nfs/dbraw/zinc/23/24/17/794232417.db2.gz KZMODZAQEQETMB-WZRBSPASSA-N 1 2 349.391 -1.754 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040870 794232410 /nfs/dbraw/zinc/23/24/10/794232410.db2.gz KZMODZAQEQETMB-WZRBSPASSA-N 1 2 349.391 -1.754 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040928 794231938 /nfs/dbraw/zinc/23/19/38/794231938.db2.gz OIEBRVQOOQDVDZ-LOWVWBTDSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040928 794231933 /nfs/dbraw/zinc/23/19/33/794231933.db2.gz OIEBRVQOOQDVDZ-LOWVWBTDSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040929 794232403 /nfs/dbraw/zinc/23/24/03/794232403.db2.gz OIEBRVQOOQDVDZ-WZRBSPASSA-N 1 2 347.375 -2.307 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040929 794232397 /nfs/dbraw/zinc/23/23/97/794232397.db2.gz OIEBRVQOOQDVDZ-WZRBSPASSA-N 1 2 347.375 -2.307 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](O)C1 ZINC001220044276 794233031 /nfs/dbraw/zinc/23/30/31/794233031.db2.gz AAPJRCPEFJWEOQ-CABCVRRESA-N 1 2 349.435 -1.012 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](O)C1 ZINC001220044276 794233028 /nfs/dbraw/zinc/23/30/28/794233028.db2.gz AAPJRCPEFJWEOQ-CABCVRRESA-N 1 2 349.435 -1.012 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001220045564 794233073 /nfs/dbraw/zinc/23/30/73/794233073.db2.gz BCHUBTOFPJRJSO-KFWWJZLASA-N 1 2 347.419 -1.040 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001220045564 794233069 /nfs/dbraw/zinc/23/30/69/794233069.db2.gz BCHUBTOFPJRJSO-KFWWJZLASA-N 1 2 347.419 -1.040 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001220045565 794233736 /nfs/dbraw/zinc/23/37/36/794233736.db2.gz BCHUBTOFPJRJSO-ZNMIVQPWSA-N 1 2 347.419 -1.040 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001220045565 794233730 /nfs/dbraw/zinc/23/37/30/794233730.db2.gz BCHUBTOFPJRJSO-ZNMIVQPWSA-N 1 2 347.419 -1.040 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 ZINC001220046061 794233779 /nfs/dbraw/zinc/23/37/79/794233779.db2.gz PASMQCZSRWHGOK-BNOWGMLFSA-N 1 2 348.407 -1.860 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 ZINC001220046061 794233776 /nfs/dbraw/zinc/23/37/76/794233776.db2.gz PASMQCZSRWHGOK-BNOWGMLFSA-N 1 2 348.407 -1.860 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 ZINC001220046062 794233970 /nfs/dbraw/zinc/23/39/70/794233970.db2.gz PASMQCZSRWHGOK-YUTCNCBUSA-N 1 2 348.407 -1.860 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 ZINC001220046062 794233961 /nfs/dbraw/zinc/23/39/61/794233961.db2.gz PASMQCZSRWHGOK-YUTCNCBUSA-N 1 2 348.407 -1.860 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001220047602 794234028 /nfs/dbraw/zinc/23/40/28/794234028.db2.gz GCGHQWGXVKYNEW-ARKGTOAJSA-N 1 2 338.404 -1.151 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001220047602 794234021 /nfs/dbraw/zinc/23/40/21/794234021.db2.gz GCGHQWGXVKYNEW-ARKGTOAJSA-N 1 2 338.404 -1.151 20 30 EAEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O ZINC001220051828 794235201 /nfs/dbraw/zinc/23/52/01/794235201.db2.gz MQHFXGPXJQPHNF-NEPJUHHUSA-N 1 2 334.380 -1.846 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001220052050 794235492 /nfs/dbraw/zinc/23/54/92/794235492.db2.gz QIINOWTULOUFTP-MCIONIFRSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001220052050 794235490 /nfs/dbraw/zinc/23/54/90/794235490.db2.gz QIINOWTULOUFTP-MCIONIFRSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001220052051 794235468 /nfs/dbraw/zinc/23/54/68/794235468.db2.gz QIINOWTULOUFTP-MJBXVCDLSA-N 1 2 347.419 -1.348 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 ZINC001220052051 794235464 /nfs/dbraw/zinc/23/54/64/794235464.db2.gz QIINOWTULOUFTP-MJBXVCDLSA-N 1 2 347.419 -1.348 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001220055459 794235002 /nfs/dbraw/zinc/23/50/02/794235002.db2.gz YZAYPGXXBMPRNO-MJBXVCDLSA-N 1 2 347.375 -1.823 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001220055459 794234996 /nfs/dbraw/zinc/23/49/96/794234996.db2.gz YZAYPGXXBMPRNO-MJBXVCDLSA-N 1 2 347.375 -1.823 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001220065673 794236503 /nfs/dbraw/zinc/23/65/03/794236503.db2.gz XUUJEEXTNFJAAP-AXFHLTTASA-N 1 2 333.335 -1.433 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001220065673 794236498 /nfs/dbraw/zinc/23/64/98/794236498.db2.gz XUUJEEXTNFJAAP-AXFHLTTASA-N 1 2 333.335 -1.433 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001220065675 794236876 /nfs/dbraw/zinc/23/68/76/794236876.db2.gz XUUJEEXTNFJAAP-MXWKQRLJSA-N 1 2 333.335 -1.433 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001220065675 794236870 /nfs/dbraw/zinc/23/68/70/794236870.db2.gz XUUJEEXTNFJAAP-MXWKQRLJSA-N 1 2 333.335 -1.433 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066378 794237388 /nfs/dbraw/zinc/23/73/88/794237388.db2.gz DBIWYFDMLNSTJG-OLZOCXBDSA-N 1 2 337.380 -2.217 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066378 794237384 /nfs/dbraw/zinc/23/73/84/794237384.db2.gz DBIWYFDMLNSTJG-OLZOCXBDSA-N 1 2 337.380 -2.217 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220073715 794239283 /nfs/dbraw/zinc/23/92/83/794239283.db2.gz JRSDQSWXRRQUAK-MNOVXSKESA-N 1 2 334.398 -3.149 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220073715 794239277 /nfs/dbraw/zinc/23/92/77/794239277.db2.gz JRSDQSWXRRQUAK-MNOVXSKESA-N 1 2 334.398 -3.149 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220082481 794241951 /nfs/dbraw/zinc/24/19/51/794241951.db2.gz SSVJMSYCVJHNIE-ILXRZTDVSA-N 1 2 336.392 -1.081 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220082481 794241947 /nfs/dbraw/zinc/24/19/47/794241947.db2.gz SSVJMSYCVJHNIE-ILXRZTDVSA-N 1 2 336.392 -1.081 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220082482 794242099 /nfs/dbraw/zinc/24/20/99/794242099.db2.gz SSVJMSYCVJHNIE-QLFBSQMISA-N 1 2 336.392 -1.081 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220082482 794242096 /nfs/dbraw/zinc/24/20/96/794242096.db2.gz SSVJMSYCVJHNIE-QLFBSQMISA-N 1 2 336.392 -1.081 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(COC)CCOC2)[C@@H](O)C1 ZINC001220082611 794242739 /nfs/dbraw/zinc/24/27/39/794242739.db2.gz YLFXSJSHICLGRK-IJEWVQPXSA-N 1 2 326.393 -1.149 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(COC)CCOC2)[C@@H](O)C1 ZINC001220082611 794242734 /nfs/dbraw/zinc/24/27/34/794242734.db2.gz YLFXSJSHICLGRK-IJEWVQPXSA-N 1 2 326.393 -1.149 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(COC)CCOC2)[C@@H](O)C1 ZINC001220082612 794242145 /nfs/dbraw/zinc/24/21/45/794242145.db2.gz YLFXSJSHICLGRK-YCPHGPKFSA-N 1 2 326.393 -1.149 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(COC)CCOC2)[C@@H](O)C1 ZINC001220082612 794242139 /nfs/dbraw/zinc/24/21/39/794242139.db2.gz 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C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220118968 794248309 /nfs/dbraw/zinc/24/83/09/794248309.db2.gz ZLQDZOBDJHXLSS-XQQFMLRXSA-N 1 2 338.408 -1.539 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001220119294 794247961 /nfs/dbraw/zinc/24/79/61/794247961.db2.gz KUISWGATTLUUST-OLZOCXBDSA-N 1 2 330.348 -1.451 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001220119294 794247956 /nfs/dbraw/zinc/24/79/56/794247956.db2.gz KUISWGATTLUUST-OLZOCXBDSA-N 1 2 330.348 -1.451 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220131925 794250908 /nfs/dbraw/zinc/25/09/08/794250908.db2.gz AMJBYXIQVNVPNM-FOGDFJRCSA-N 1 2 335.364 -1.962 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220131925 794250903 /nfs/dbraw/zinc/25/09/03/794250903.db2.gz AMJBYXIQVNVPNM-FOGDFJRCSA-N 1 2 335.364 -1.962 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220131926 794250788 /nfs/dbraw/zinc/25/07/88/794250788.db2.gz AMJBYXIQVNVPNM-UMNHJUIQSA-N 1 2 335.364 -1.962 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220131926 794250783 /nfs/dbraw/zinc/25/07/83/794250783.db2.gz AMJBYXIQVNVPNM-UMNHJUIQSA-N 1 2 335.364 -1.962 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220132793 794250509 /nfs/dbraw/zinc/25/05/09/794250509.db2.gz UCPXBWMVCJZOSM-FOGDFJRCSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220132793 794250507 /nfs/dbraw/zinc/25/05/07/794250507.db2.gz UCPXBWMVCJZOSM-FOGDFJRCSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220132794 794250184 /nfs/dbraw/zinc/25/01/84/794250184.db2.gz UCPXBWMVCJZOSM-UMNHJUIQSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220132794 794250175 /nfs/dbraw/zinc/25/01/75/794250175.db2.gz UCPXBWMVCJZOSM-UMNHJUIQSA-N 1 2 337.380 -1.409 20 30 EAEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220185746 794258286 /nfs/dbraw/zinc/25/82/86/794258286.db2.gz LRFAQUZXLMLUIX-OLZOCXBDSA-N 1 2 331.438 -1.110 20 30 EAEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220185746 794258280 /nfs/dbraw/zinc/25/82/80/794258280.db2.gz LRFAQUZXLMLUIX-OLZOCXBDSA-N 1 2 331.438 -1.110 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001220190112 794258816 /nfs/dbraw/zinc/25/88/16/794258816.db2.gz BUNATQYNOWRCFZ-KKZNHRDASA-N 1 2 338.389 -1.239 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001220190112 794258811 /nfs/dbraw/zinc/25/88/11/794258811.db2.gz BUNATQYNOWRCFZ-KKZNHRDASA-N 1 2 338.389 -1.239 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001220190113 794259187 /nfs/dbraw/zinc/25/91/87/794259187.db2.gz BUNATQYNOWRCFZ-NGZCFLSTSA-N 1 2 338.389 -1.239 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001220190113 794259184 /nfs/dbraw/zinc/25/91/84/794259184.db2.gz BUNATQYNOWRCFZ-NGZCFLSTSA-N 1 2 338.389 -1.239 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199426 794257758 /nfs/dbraw/zinc/25/77/58/794257758.db2.gz OTZSJMZVUXEROF-TUAOUCFPSA-N 1 2 349.391 -1.044 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199426 794257749 /nfs/dbraw/zinc/25/77/49/794257749.db2.gz OTZSJMZVUXEROF-TUAOUCFPSA-N 1 2 349.391 -1.044 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199427 794258085 /nfs/dbraw/zinc/25/80/85/794258085.db2.gz OTZSJMZVUXEROF-UTUOFQBUSA-N 1 2 349.391 -1.044 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199427 794258080 /nfs/dbraw/zinc/25/80/80/794258080.db2.gz OTZSJMZVUXEROF-UTUOFQBUSA-N 1 2 349.391 -1.044 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199536 794258180 /nfs/dbraw/zinc/25/81/80/794258180.db2.gz RHLDLUQZYRLUIR-TUAOUCFPSA-N 1 2 347.375 -1.597 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199536 794258177 /nfs/dbraw/zinc/25/81/77/794258177.db2.gz RHLDLUQZYRLUIR-TUAOUCFPSA-N 1 2 347.375 -1.597 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199537 794257995 /nfs/dbraw/zinc/25/79/95/794257995.db2.gz RHLDLUQZYRLUIR-UTUOFQBUSA-N 1 2 347.375 -1.597 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001220199537 794257987 /nfs/dbraw/zinc/25/79/87/794257987.db2.gz RHLDLUQZYRLUIR-UTUOFQBUSA-N 1 2 347.375 -1.597 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 ZINC001220222611 794262511 /nfs/dbraw/zinc/26/25/11/794262511.db2.gz WQGSMCAZZWKTFB-OLZOCXBDSA-N 1 2 335.360 -1.268 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 ZINC001220222611 794262504 /nfs/dbraw/zinc/26/25/04/794262504.db2.gz WQGSMCAZZWKTFB-OLZOCXBDSA-N 1 2 335.360 -1.268 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220224577 794263900 /nfs/dbraw/zinc/26/39/00/794263900.db2.gz UDKJMMPHAULMHP-BNOWGMLFSA-N 1 2 349.391 -1.902 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220224577 794263892 /nfs/dbraw/zinc/26/38/92/794263892.db2.gz UDKJMMPHAULMHP-BNOWGMLFSA-N 1 2 349.391 -1.902 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220224578 794263277 /nfs/dbraw/zinc/26/32/77/794263277.db2.gz UDKJMMPHAULMHP-YUTCNCBUSA-N 1 2 349.391 -1.902 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220224578 794263275 /nfs/dbraw/zinc/26/32/75/794263275.db2.gz UDKJMMPHAULMHP-YUTCNCBUSA-N 1 2 349.391 -1.902 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225673 794263166 /nfs/dbraw/zinc/26/31/66/794263166.db2.gz QBUKCTFBHHRDRL-JLLWLGSASA-N 1 2 333.348 -2.317 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225673 794263163 /nfs/dbraw/zinc/26/31/63/794263163.db2.gz QBUKCTFBHHRDRL-JLLWLGSASA-N 1 2 333.348 -2.317 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225674 794263380 /nfs/dbraw/zinc/26/33/80/794263380.db2.gz QBUKCTFBHHRDRL-WCQGTBRESA-N 1 2 333.348 -2.317 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225674 794263376 /nfs/dbraw/zinc/26/33/76/794263376.db2.gz QBUKCTFBHHRDRL-WCQGTBRESA-N 1 2 333.348 -2.317 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225675 794263199 /nfs/dbraw/zinc/26/31/99/794263199.db2.gz QGWUDOKUAIKNPD-JLLWLGSASA-N 1 2 335.364 -1.765 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225675 794263187 /nfs/dbraw/zinc/26/31/87/794263187.db2.gz QGWUDOKUAIKNPD-JLLWLGSASA-N 1 2 335.364 -1.765 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225678 794263711 /nfs/dbraw/zinc/26/37/11/794263711.db2.gz QGWUDOKUAIKNPD-WCQGTBRESA-N 1 2 335.364 -1.765 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225678 794263705 /nfs/dbraw/zinc/26/37/05/794263705.db2.gz QGWUDOKUAIKNPD-WCQGTBRESA-N 1 2 335.364 -1.765 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242115 794266621 /nfs/dbraw/zinc/26/66/21/794266621.db2.gz KXDZEQRPZPYVBN-MNOVXSKESA-N 1 2 348.425 -2.481 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242115 794266614 /nfs/dbraw/zinc/26/66/14/794266614.db2.gz KXDZEQRPZPYVBN-MNOVXSKESA-N 1 2 348.425 -2.481 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242295 794267057 /nfs/dbraw/zinc/26/70/57/794267057.db2.gz UKRZDEAEISUCGY-NEPJUHHUSA-N 1 2 333.410 -2.134 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242295 794267049 /nfs/dbraw/zinc/26/70/49/794267049.db2.gz UKRZDEAEISUCGY-NEPJUHHUSA-N 1 2 333.410 -2.134 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220257825 794271132 /nfs/dbraw/zinc/27/11/32/794271132.db2.gz QEVGNLNLEZDRKO-UTUOFQBUSA-N 1 2 336.392 -1.800 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220257825 794271125 /nfs/dbraw/zinc/27/11/25/794271125.db2.gz QEVGNLNLEZDRKO-UTUOFQBUSA-N 1 2 336.392 -1.800 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220257826 794271877 /nfs/dbraw/zinc/27/18/77/794271877.db2.gz QEVGNLNLEZDRKO-WOPDTQHZSA-N 1 2 336.392 -1.800 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220257826 794271872 /nfs/dbraw/zinc/27/18/72/794271872.db2.gz QEVGNLNLEZDRKO-WOPDTQHZSA-N 1 2 336.392 -1.800 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220274837 794273096 /nfs/dbraw/zinc/27/30/96/794273096.db2.gz GCCAITVGLPMYFI-FOGDFJRCSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220274837 794273089 /nfs/dbraw/zinc/27/30/89/794273089.db2.gz GCCAITVGLPMYFI-FOGDFJRCSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220274839 794272455 /nfs/dbraw/zinc/27/24/55/794272455.db2.gz GCCAITVGLPMYFI-UMNHJUIQSA-N 1 2 337.380 -1.409 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220274839 794272448 /nfs/dbraw/zinc/27/24/48/794272448.db2.gz GCCAITVGLPMYFI-UMNHJUIQSA-N 1 2 337.380 -1.409 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275044 794272682 /nfs/dbraw/zinc/27/26/82/794272682.db2.gz MXEYVUDVKLRUIR-FOGDFJRCSA-N 1 2 335.364 -1.962 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275044 794272679 /nfs/dbraw/zinc/27/26/79/794272679.db2.gz MXEYVUDVKLRUIR-FOGDFJRCSA-N 1 2 335.364 -1.962 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275045 794273836 /nfs/dbraw/zinc/27/38/36/794273836.db2.gz MXEYVUDVKLRUIR-UMNHJUIQSA-N 1 2 335.364 -1.962 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275045 794273829 /nfs/dbraw/zinc/27/38/29/794273829.db2.gz MXEYVUDVKLRUIR-UMNHJUIQSA-N 1 2 335.364 -1.962 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220329084 794279866 /nfs/dbraw/zinc/27/98/66/794279866.db2.gz ZCORYHVEZSMXLQ-RTXFEEFZSA-N 1 2 346.391 -1.369 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220329085 794279748 /nfs/dbraw/zinc/27/97/48/794279748.db2.gz ZCORYHVEZSMXLQ-UHTWSYAYSA-N 1 2 346.391 -1.369 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334235 794279103 /nfs/dbraw/zinc/27/91/03/794279103.db2.gz MFCSVYCJCJILEK-BZPMIXESSA-N 1 2 348.403 -1.149 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334235 794279100 /nfs/dbraw/zinc/27/91/00/794279100.db2.gz MFCSVYCJCJILEK-BZPMIXESSA-N 1 2 348.403 -1.149 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334236 794279773 /nfs/dbraw/zinc/27/97/73/794279773.db2.gz MFCSVYCJCJILEK-SCRDCRAPSA-N 1 2 348.403 -1.149 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334236 794279768 /nfs/dbraw/zinc/27/97/68/794279768.db2.gz MFCSVYCJCJILEK-SCRDCRAPSA-N 1 2 348.403 -1.149 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334479 794280173 /nfs/dbraw/zinc/28/01/73/794280173.db2.gz WXRUUPCKRCQXRY-BZPMIXESSA-N 1 2 346.387 -1.702 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334479 794280163 /nfs/dbraw/zinc/28/01/63/794280163.db2.gz WXRUUPCKRCQXRY-BZPMIXESSA-N 1 2 346.387 -1.702 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334480 794279645 /nfs/dbraw/zinc/27/96/45/794279645.db2.gz WXRUUPCKRCQXRY-SCRDCRAPSA-N 1 2 346.387 -1.702 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001220334480 794279636 /nfs/dbraw/zinc/27/96/36/794279636.db2.gz WXRUUPCKRCQXRY-SCRDCRAPSA-N 1 2 346.387 -1.702 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220347898 794280706 /nfs/dbraw/zinc/28/07/06/794280706.db2.gz YLWKHYMZDUOBCF-MROQNXINSA-N 1 2 325.365 -2.170 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220347898 794280698 /nfs/dbraw/zinc/28/06/98/794280698.db2.gz YLWKHYMZDUOBCF-MROQNXINSA-N 1 2 325.365 -2.170 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220363675 794284081 /nfs/dbraw/zinc/28/40/81/794284081.db2.gz KDYISWTZRBPPMU-OLZOCXBDSA-N 1 2 336.396 -1.789 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220363675 794284074 /nfs/dbraw/zinc/28/40/74/794284074.db2.gz KDYISWTZRBPPMU-OLZOCXBDSA-N 1 2 336.396 -1.789 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 ZINC001220366818 794284361 /nfs/dbraw/zinc/28/43/61/794284361.db2.gz COKKSDPNMOMJEK-ZBFHGGJFSA-N 1 2 347.419 -1.032 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 ZINC001220366818 794284357 /nfs/dbraw/zinc/28/43/57/794284357.db2.gz COKKSDPNMOMJEK-ZBFHGGJFSA-N 1 2 347.419 -1.032 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369601 794284725 /nfs/dbraw/zinc/28/47/25/794284725.db2.gz LFRLKDPZGYRFLS-BIMULSAOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369601 794284717 /nfs/dbraw/zinc/28/47/17/794284717.db2.gz LFRLKDPZGYRFLS-BIMULSAOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369608 794284401 /nfs/dbraw/zinc/28/44/01/794284401.db2.gz LFRLKDPZGYRFLS-WQAKAFBOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369608 794284393 /nfs/dbraw/zinc/28/43/93/794284393.db2.gz LFRLKDPZGYRFLS-WQAKAFBOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369753 794283872 /nfs/dbraw/zinc/28/38/72/794283872.db2.gz PFZSWIJRLJXOJC-BIMULSAOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369753 794283867 /nfs/dbraw/zinc/28/38/67/794283867.db2.gz PFZSWIJRLJXOJC-BIMULSAOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369754 794284099 /nfs/dbraw/zinc/28/40/99/794284099.db2.gz PFZSWIJRLJXOJC-WQAKAFBOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369754 794284095 /nfs/dbraw/zinc/28/40/95/794284095.db2.gz PFZSWIJRLJXOJC-WQAKAFBOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374076 794286389 /nfs/dbraw/zinc/28/63/89/794286389.db2.gz QFDZCJLAAQKZPV-BNOWGMLFSA-N 1 2 348.407 -1.953 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374076 794286383 /nfs/dbraw/zinc/28/63/83/794286383.db2.gz QFDZCJLAAQKZPV-BNOWGMLFSA-N 1 2 348.407 -1.953 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374077 794286144 /nfs/dbraw/zinc/28/61/44/794286144.db2.gz QFDZCJLAAQKZPV-YUTCNCBUSA-N 1 2 348.407 -1.953 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374077 794286142 /nfs/dbraw/zinc/28/61/42/794286142.db2.gz QFDZCJLAAQKZPV-YUTCNCBUSA-N 1 2 348.407 -1.953 20 30 EAEDLO C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220377538 794285906 /nfs/dbraw/zinc/28/59/06/794285906.db2.gz CDVYVMVTDMARHQ-BHPKHCPMSA-N 1 2 347.419 -1.013 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001220377639 794286777 /nfs/dbraw/zinc/28/67/77/794286777.db2.gz HPAZOPFRVTVTBO-MCIONIFRSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001220377639 794286770 /nfs/dbraw/zinc/28/67/70/794286770.db2.gz HPAZOPFRVTVTBO-MCIONIFRSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001220377640 794286403 /nfs/dbraw/zinc/28/64/03/794286403.db2.gz HPAZOPFRVTVTBO-MJBXVCDLSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001220377640 794286398 /nfs/dbraw/zinc/28/63/98/794286398.db2.gz HPAZOPFRVTVTBO-MJBXVCDLSA-N 1 2 333.392 -1.509 20 30 EAEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O ZINC001220377883 794285468 /nfs/dbraw/zinc/28/54/68/794285468.db2.gz RWXPEWYTISZFOL-BYNQJWBRSA-N 1 2 346.391 -1.675 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220377895 794286472 /nfs/dbraw/zinc/28/64/72/794286472.db2.gz SMDTZBZSCXFXGZ-BHPKHCPMSA-N 1 2 345.403 -1.566 20 30 EAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220383011 794285751 /nfs/dbraw/zinc/28/57/51/794285751.db2.gz UYICYWDUUSMYOY-NDBYEHHHSA-N 1 2 347.437 -1.712 20 30 EAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220383011 794285747 /nfs/dbraw/zinc/28/57/47/794285747.db2.gz UYICYWDUUSMYOY-NDBYEHHHSA-N 1 2 347.437 -1.712 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 ZINC001220385253 794287099 /nfs/dbraw/zinc/28/70/99/794287099.db2.gz DFKSKKNLGQBKID-CABCVRRESA-N 1 2 346.387 -1.086 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 ZINC001220385253 794287092 /nfs/dbraw/zinc/28/70/92/794287092.db2.gz DFKSKKNLGQBKID-CABCVRRESA-N 1 2 346.387 -1.086 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387802 794286870 /nfs/dbraw/zinc/28/68/70/794286870.db2.gz QXULTVBXFQVQAY-MCIONIFRSA-N 1 2 348.407 -1.563 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387802 794286864 /nfs/dbraw/zinc/28/68/64/794286864.db2.gz QXULTVBXFQVQAY-MCIONIFRSA-N 1 2 348.407 -1.563 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387804 794288778 /nfs/dbraw/zinc/28/87/78/794288778.db2.gz QXULTVBXFQVQAY-MJBXVCDLSA-N 1 2 348.407 -1.563 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001220387804 794288771 /nfs/dbraw/zinc/28/87/71/794288771.db2.gz QXULTVBXFQVQAY-MJBXVCDLSA-N 1 2 348.407 -1.563 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 ZINC001220389317 794289429 /nfs/dbraw/zinc/28/94/29/794289429.db2.gz DGZTXRPWKSJDPQ-KGLIPLIRSA-N 1 2 348.403 -1.224 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 ZINC001220389317 794289422 /nfs/dbraw/zinc/28/94/22/794289422.db2.gz DGZTXRPWKSJDPQ-KGLIPLIRSA-N 1 2 348.403 -1.224 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399132 794290379 /nfs/dbraw/zinc/29/03/79/794290379.db2.gz ASDIYAWCWIWYQC-CABCVRRESA-N 1 2 346.387 -1.378 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399132 794290374 /nfs/dbraw/zinc/29/03/74/794290374.db2.gz ASDIYAWCWIWYQC-CABCVRRESA-N 1 2 346.387 -1.378 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428168 794293503 /nfs/dbraw/zinc/29/35/03/794293503.db2.gz UWCNIPFXJLYSNN-TUAOUCFPSA-N 1 2 333.410 -2.265 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428168 794293497 /nfs/dbraw/zinc/29/34/97/794293497.db2.gz UWCNIPFXJLYSNN-TUAOUCFPSA-N 1 2 333.410 -2.265 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428169 794294169 /nfs/dbraw/zinc/29/41/69/794294169.db2.gz UWCNIPFXJLYSNN-UTUOFQBUSA-N 1 2 333.410 -2.265 20 30 EAEDLO 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/nfs/dbraw/zinc/29/69/98/794296998.db2.gz OZLCWBVUTQKFNJ-MCIONIFRSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001220444273 794296674 /nfs/dbraw/zinc/29/66/74/794296674.db2.gz OZLCWBVUTQKFNJ-MJBXVCDLSA-N 1 2 333.392 -1.509 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001220444273 794296666 /nfs/dbraw/zinc/29/66/66/794296666.db2.gz OZLCWBVUTQKFNJ-MJBXVCDLSA-N 1 2 333.392 -1.509 20 30 EAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@@H](O)C1 ZINC001220450271 794297213 /nfs/dbraw/zinc/29/72/13/794297213.db2.gz LNHCTSOXEUBJQO-OLZOCXBDSA-N 1 2 331.438 -1.157 20 30 EAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@@H](O)C1 ZINC001220450271 794297207 /nfs/dbraw/zinc/29/72/07/794297207.db2.gz LNHCTSOXEUBJQO-OLZOCXBDSA-N 1 2 331.438 -1.157 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 ZINC001220457855 794299409 /nfs/dbraw/zinc/29/94/09/794299409.db2.gz 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C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220561667 794319259 /nfs/dbraw/zinc/31/92/59/794319259.db2.gz IELOVWPLHHEWPM-UHTWSYAYSA-N 1 2 338.408 -1.800 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220561667 794319257 /nfs/dbraw/zinc/31/92/57/794319257.db2.gz IELOVWPLHHEWPM-UHTWSYAYSA-N 1 2 338.408 -1.800 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220561715 794318975 /nfs/dbraw/zinc/31/89/75/794318975.db2.gz IWVKWWOVTMRWOF-RTXFEEFZSA-N 1 2 340.424 -1.247 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220561715 794318969 /nfs/dbraw/zinc/31/89/69/794318969.db2.gz IWVKWWOVTMRWOF-RTXFEEFZSA-N 1 2 340.424 -1.247 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220561716 794318563 /nfs/dbraw/zinc/31/85/63/794318563.db2.gz IWVKWWOVTMRWOF-UHTWSYAYSA-N 1 2 340.424 -1.247 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220561716 794318559 /nfs/dbraw/zinc/31/85/59/794318559.db2.gz IWVKWWOVTMRWOF-UHTWSYAYSA-N 1 2 340.424 -1.247 20 30 EAEDLO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2O)ccc1=O ZINC001220566774 794321158 /nfs/dbraw/zinc/32/11/58/794321158.db2.gz LPLCBWSCQPEKKU-KGLIPLIRSA-N 1 2 334.376 -1.312 20 30 EAEDLO CCn1nc(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2O)ccc1=O ZINC001220566774 794321154 /nfs/dbraw/zinc/32/11/54/794321154.db2.gz LPLCBWSCQPEKKU-KGLIPLIRSA-N 1 2 334.376 -1.312 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220580915 794324098 /nfs/dbraw/zinc/32/40/98/794324098.db2.gz DSHIXVSMCVPHIE-OLZOCXBDSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220580915 794324091 /nfs/dbraw/zinc/32/40/91/794324091.db2.gz DSHIXVSMCVPHIE-OLZOCXBDSA-N 1 2 333.392 -1.127 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220591652 794325816 /nfs/dbraw/zinc/32/58/16/794325816.db2.gz DRQRMUMNIPHPGU-MCIONIFRSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220591652 794325813 /nfs/dbraw/zinc/32/58/13/794325813.db2.gz DRQRMUMNIPHPGU-MCIONIFRSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220591653 794325736 /nfs/dbraw/zinc/32/57/36/794325736.db2.gz DRQRMUMNIPHPGU-MJBXVCDLSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220591653 794325732 /nfs/dbraw/zinc/32/57/32/794325732.db2.gz DRQRMUMNIPHPGU-MJBXVCDLSA-N 1 2 345.403 -1.292 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)C1=O ZINC001220606268 794328267 /nfs/dbraw/zinc/32/82/67/794328267.db2.gz MWOMDXWMCXTGIK-AGIUHOORSA-N 1 2 349.395 -1.989 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)C1=O ZINC001220606268 794328258 /nfs/dbraw/zinc/32/82/58/794328258.db2.gz MWOMDXWMCXTGIK-AGIUHOORSA-N 1 2 349.395 -1.989 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)C1=O ZINC001220606269 794328474 /nfs/dbraw/zinc/32/84/74/794328474.db2.gz MWOMDXWMCXTGIK-UPJWGTAASA-N 1 2 349.395 -1.989 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCn3cnnn3)[C@@H](O)C2)C1=O ZINC001220606269 794328470 /nfs/dbraw/zinc/32/84/70/794328470.db2.gz MWOMDXWMCXTGIK-UPJWGTAASA-N 1 2 349.395 -1.989 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606480 794328839 /nfs/dbraw/zinc/32/88/39/794328839.db2.gz UXYHKPCYACGYSB-TUAOUCFPSA-N 1 2 335.368 -2.638 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606480 794328834 /nfs/dbraw/zinc/32/88/34/794328834.db2.gz UXYHKPCYACGYSB-TUAOUCFPSA-N 1 2 335.368 -2.638 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606481 794328457 /nfs/dbraw/zinc/32/84/57/794328457.db2.gz UXYHKPCYACGYSB-UTUOFQBUSA-N 1 2 335.368 -2.638 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606481 794328453 /nfs/dbraw/zinc/32/84/53/794328453.db2.gz UXYHKPCYACGYSB-UTUOFQBUSA-N 1 2 335.368 -2.638 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220609146 794330078 /nfs/dbraw/zinc/33/00/78/794330078.db2.gz HRXHMVZFOCNLOQ-TUAOUCFPSA-N 1 2 337.384 -2.085 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220609146 794330072 /nfs/dbraw/zinc/33/00/72/794330072.db2.gz HRXHMVZFOCNLOQ-TUAOUCFPSA-N 1 2 337.384 -2.085 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220609147 794329748 /nfs/dbraw/zinc/32/97/48/794329748.db2.gz HRXHMVZFOCNLOQ-UTUOFQBUSA-N 1 2 337.384 -2.085 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220609147 794329745 /nfs/dbraw/zinc/32/97/45/794329745.db2.gz HRXHMVZFOCNLOQ-UTUOFQBUSA-N 1 2 337.384 -2.085 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612320 794329782 /nfs/dbraw/zinc/32/97/82/794329782.db2.gz UANJPANONAKSMQ-BIMULSAOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612320 794329777 /nfs/dbraw/zinc/32/97/77/794329777.db2.gz UANJPANONAKSMQ-BIMULSAOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612321 794329712 /nfs/dbraw/zinc/32/97/12/794329712.db2.gz UANJPANONAKSMQ-WQAKAFBOSA-N 1 2 347.375 -1.974 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612321 794329706 /nfs/dbraw/zinc/32/97/06/794329706.db2.gz UANJPANONAKSMQ-WQAKAFBOSA-N 1 2 347.375 -1.974 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 ZINC001220615774 794330019 /nfs/dbraw/zinc/33/00/19/794330019.db2.gz PDAJBOWLGOHNRH-CABCVRRESA-N 1 2 348.403 -1.329 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 ZINC001220615774 794330014 /nfs/dbraw/zinc/33/00/14/794330014.db2.gz PDAJBOWLGOHNRH-CABCVRRESA-N 1 2 348.403 -1.329 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220618274 794330567 /nfs/dbraw/zinc/33/05/67/794330567.db2.gz MRFWIRDBBIRROF-BIMULSAOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220618274 794330561 /nfs/dbraw/zinc/33/05/61/794330561.db2.gz MRFWIRDBBIRROF-BIMULSAOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220618275 794330498 /nfs/dbraw/zinc/33/04/98/794330498.db2.gz MRFWIRDBBIRROF-WQAKAFBOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220618275 794330495 /nfs/dbraw/zinc/33/04/95/794330495.db2.gz MRFWIRDBBIRROF-WQAKAFBOSA-N 1 2 349.391 -1.421 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653224 794334836 /nfs/dbraw/zinc/33/48/36/794334836.db2.gz DFRUCBHMZQQHRO-OLZOCXBDSA-N 1 2 349.391 -1.903 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653224 794334833 /nfs/dbraw/zinc/33/48/33/794334833.db2.gz DFRUCBHMZQQHRO-OLZOCXBDSA-N 1 2 349.391 -1.903 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653560 794334821 /nfs/dbraw/zinc/33/48/21/794334821.db2.gz MXFIARBFZGGHKO-KGLIPLIRSA-N 1 2 334.376 -1.556 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653560 794334817 /nfs/dbraw/zinc/33/48/17/794334817.db2.gz MXFIARBFZGGHKO-KGLIPLIRSA-N 1 2 334.376 -1.556 20 30 EAEDLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220656508 794335147 /nfs/dbraw/zinc/33/51/47/794335147.db2.gz FBJRMYKWPOFTAF-OLZOCXBDSA-N 1 2 347.437 -1.921 20 30 EAEDLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220656508 794335144 /nfs/dbraw/zinc/33/51/44/794335144.db2.gz FBJRMYKWPOFTAF-OLZOCXBDSA-N 1 2 347.437 -1.921 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659253 794335709 /nfs/dbraw/zinc/33/57/09/794335709.db2.gz UHKWRMNLRLWCCF-RTXFEEFZSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659253 794335700 /nfs/dbraw/zinc/33/57/00/794335700.db2.gz UHKWRMNLRLWCCF-RTXFEEFZSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659254 794336215 /nfs/dbraw/zinc/33/62/15/794336215.db2.gz UHKWRMNLRLWCCF-UHTWSYAYSA-N 1 2 335.364 -1.780 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659254 794336212 /nfs/dbraw/zinc/33/62/12/794336212.db2.gz UHKWRMNLRLWCCF-UHTWSYAYSA-N 1 2 335.364 -1.780 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659265 794335565 /nfs/dbraw/zinc/33/55/65/794335565.db2.gz UOEYKSHIRCMPSF-RTXFEEFZSA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659265 794335557 /nfs/dbraw/zinc/33/55/57/794335557.db2.gz UOEYKSHIRCMPSF-RTXFEEFZSA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659266 794336373 /nfs/dbraw/zinc/33/63/73/794336373.db2.gz UOEYKSHIRCMPSF-UHTWSYAYSA-N 1 2 337.380 -1.227 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220659266 794336366 /nfs/dbraw/zinc/33/63/66/794336366.db2.gz UOEYKSHIRCMPSF-UHTWSYAYSA-N 1 2 337.380 -1.227 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661414 794337456 /nfs/dbraw/zinc/33/74/56/794337456.db2.gz QEYFRRCUSJCQHW-OLZOCXBDSA-N 1 2 337.380 -1.857 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661414 794337448 /nfs/dbraw/zinc/33/74/48/794337448.db2.gz QEYFRRCUSJCQHW-OLZOCXBDSA-N 1 2 337.380 -1.857 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661457 794337415 /nfs/dbraw/zinc/33/74/15/794337415.db2.gz SBOXYCWKVOJQOD-OLZOCXBDSA-N 1 2 337.380 -1.857 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220661457 794337409 /nfs/dbraw/zinc/33/74/09/794337409.db2.gz SBOXYCWKVOJQOD-OLZOCXBDSA-N 1 2 337.380 -1.857 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220685332 794339356 /nfs/dbraw/zinc/33/93/56/794339356.db2.gz DIHPXUPEGYGITE-CFVMTHIKSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220685332 794339353 /nfs/dbraw/zinc/33/93/53/794339353.db2.gz DIHPXUPEGYGITE-CFVMTHIKSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220685333 794339362 /nfs/dbraw/zinc/33/93/62/794339362.db2.gz DIHPXUPEGYGITE-YUELXQCFSA-N 1 2 345.403 -1.292 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220685333 794339361 /nfs/dbraw/zinc/33/93/61/794339361.db2.gz DIHPXUPEGYGITE-YUELXQCFSA-N 1 2 345.403 -1.292 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001220686362 794339242 /nfs/dbraw/zinc/33/92/42/794339242.db2.gz UUVIIFIBNLWBTL-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001220686362 794339237 /nfs/dbraw/zinc/33/92/37/794339237.db2.gz UUVIIFIBNLWBTL-OLZOCXBDSA-N 1 2 336.396 -1.478 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220689271 794339101 /nfs/dbraw/zinc/33/91/01/794339101.db2.gz CKGLMVDSVBSYFB-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220689271 794339093 /nfs/dbraw/zinc/33/90/93/794339093.db2.gz CKGLMVDSVBSYFB-KGLIPLIRSA-N 1 2 333.392 -1.127 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001220698050 794340668 /nfs/dbraw/zinc/34/06/68/794340668.db2.gz KPLODGRJXARSDU-NEPJUHHUSA-N 1 2 338.364 -2.261 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001220698050 794340662 /nfs/dbraw/zinc/34/06/62/794340662.db2.gz KPLODGRJXARSDU-NEPJUHHUSA-N 1 2 338.364 -2.261 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001220698427 794340472 /nfs/dbraw/zinc/34/04/72/794340472.db2.gz WVXXKDFUBVGORA-MCIONIFRSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001220698427 794340470 /nfs/dbraw/zinc/34/04/70/794340470.db2.gz WVXXKDFUBVGORA-MCIONIFRSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001220698428 794341214 /nfs/dbraw/zinc/34/12/14/794341214.db2.gz WVXXKDFUBVGORA-MJBXVCDLSA-N 1 2 348.407 -1.643 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001220698428 794341209 /nfs/dbraw/zinc/34/12/09/794341209.db2.gz WVXXKDFUBVGORA-MJBXVCDLSA-N 1 2 348.407 -1.643 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@@H](O)C1 ZINC001220701532 794340705 /nfs/dbraw/zinc/34/07/05/794340705.db2.gz JTDRMSXLSBKDPB-GUTXKFCHSA-N 1 2 349.391 -1.336 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@@H](O)C1 ZINC001220701532 794340687 /nfs/dbraw/zinc/34/06/87/794340687.db2.gz JTDRMSXLSBKDPB-GUTXKFCHSA-N 1 2 349.391 -1.336 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@@H](O)C1 ZINC001220701533 794340385 /nfs/dbraw/zinc/34/03/85/794340385.db2.gz JTDRMSXLSBKDPB-NFAWXSAZSA-N 1 2 349.391 -1.336 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@@H](O)C1 ZINC001220701533 794340383 /nfs/dbraw/zinc/34/03/83/794340383.db2.gz JTDRMSXLSBKDPB-NFAWXSAZSA-N 1 2 349.391 -1.336 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001220711747 794342645 /nfs/dbraw/zinc/34/26/45/794342645.db2.gz 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C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001220712118 794344003 /nfs/dbraw/zinc/34/40/03/794344003.db2.gz XZLIHBLKKMALAN-MCIONIFRSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001220712118 794343999 /nfs/dbraw/zinc/34/39/99/794343999.db2.gz XZLIHBLKKMALAN-MCIONIFRSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001220712119 794343793 /nfs/dbraw/zinc/34/37/93/794343793.db2.gz XZLIHBLKKMALAN-MJBXVCDLSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCCCOC)[C@@H](O)C1 ZINC001220712119 794343788 /nfs/dbraw/zinc/34/37/88/794343788.db2.gz XZLIHBLKKMALAN-MJBXVCDLSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(=O)NCC2CC2)[C@@H](O)C1 ZINC001220719429 794344256 /nfs/dbraw/zinc/34/42/56/794344256.db2.gz ANMZWIVLBCBHLG-OLZOCXBDSA-N 1 2 338.408 -1.634 20 30 EAEDLO 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C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001220737880 794350910 /nfs/dbraw/zinc/35/09/10/794350910.db2.gz DQVVKBJYNDLDQD-CFVMTHIKSA-N 1 2 347.419 -1.255 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001220737880 794350906 /nfs/dbraw/zinc/35/09/06/794350906.db2.gz DQVVKBJYNDLDQD-CFVMTHIKSA-N 1 2 347.419 -1.255 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001220737881 794351412 /nfs/dbraw/zinc/35/14/12/794351412.db2.gz DQVVKBJYNDLDQD-YUELXQCFSA-N 1 2 347.419 -1.255 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](O)C1 ZINC001220737881 794351405 /nfs/dbraw/zinc/35/14/05/794351405.db2.gz DQVVKBJYNDLDQD-YUELXQCFSA-N 1 2 347.419 -1.255 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220750021 794350405 /nfs/dbraw/zinc/35/04/05/794350405.db2.gz HAOZCJWEKLPWPO-NEPJUHHUSA-N 1 2 338.364 -2.309 20 30 EAEDLO 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COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@@H](O)C1 ZINC001220752563 794350008 /nfs/dbraw/zinc/35/00/08/794350008.db2.gz FGNMWDNFHVRPHT-DFBGVHRSSA-N 1 2 333.392 -1.279 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@@H](O)C1 ZINC001220752563 794350001 /nfs/dbraw/zinc/35/00/01/794350001.db2.gz FGNMWDNFHVRPHT-DFBGVHRSSA-N 1 2 333.392 -1.279 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)[C@@H](O)C1 ZINC001220752564 794350567 /nfs/dbraw/zinc/35/05/67/794350567.db2.gz FGNMWDNFHVRPHT-GLQYFDAESA-N 1 2 333.392 -1.279 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)[C@@H](O)C1 ZINC001220752564 794350561 /nfs/dbraw/zinc/35/05/61/794350561.db2.gz FGNMWDNFHVRPHT-GLQYFDAESA-N 1 2 333.392 -1.279 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001220752980 794353729 /nfs/dbraw/zinc/35/37/29/794353729.db2.gz XVOYKVTUUJFOTC-NEPJUHHUSA-N 1 2 346.347 -2.158 20 30 EAEDLO 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C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001221104541 794415618 /nfs/dbraw/zinc/41/56/18/794415618.db2.gz YQCORUJSNWFYMD-MCIONIFRSA-N 1 2 341.408 -1.661 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001221104541 794415613 /nfs/dbraw/zinc/41/56/13/794415613.db2.gz YQCORUJSNWFYMD-MCIONIFRSA-N 1 2 341.408 -1.661 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001221104542 794416360 /nfs/dbraw/zinc/41/63/60/794416360.db2.gz YQCORUJSNWFYMD-MJBXVCDLSA-N 1 2 341.408 -1.661 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](O)C1 ZINC001221104542 794416356 /nfs/dbraw/zinc/41/63/56/794416356.db2.gz YQCORUJSNWFYMD-MJBXVCDLSA-N 1 2 341.408 -1.661 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001221118876 794417260 /nfs/dbraw/zinc/41/72/60/794417260.db2.gz KIFDJHOIGGDFIG-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001221118876 794417257 /nfs/dbraw/zinc/41/72/57/794417257.db2.gz KIFDJHOIGGDFIG-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1 ZINC001221135200 794416920 /nfs/dbraw/zinc/41/69/20/794416920.db2.gz CLMWVONGXJZPSV-OLZOCXBDSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1 ZINC001221135200 794416914 /nfs/dbraw/zinc/41/69/14/794416914.db2.gz CLMWVONGXJZPSV-OLZOCXBDSA-N 1 2 340.424 -1.244 20 30 EAEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221139534 794417007 /nfs/dbraw/zinc/41/70/07/794417007.db2.gz BVFFPFQGQAQGOL-UTUOFQBUSA-N 1 2 325.365 -1.454 20 30 EAEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221139534 794417002 /nfs/dbraw/zinc/41/70/02/794417002.db2.gz BVFFPFQGQAQGOL-UTUOFQBUSA-N 1 2 325.365 -1.454 20 30 EAEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221139535 794417292 /nfs/dbraw/zinc/41/72/92/794417292.db2.gz BVFFPFQGQAQGOL-WOPDTQHZSA-N 1 2 325.365 -1.454 20 30 EAEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221139535 794417289 /nfs/dbraw/zinc/41/72/89/794417289.db2.gz BVFFPFQGQAQGOL-WOPDTQHZSA-N 1 2 325.365 -1.454 20 30 EAEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221139692 794417210 /nfs/dbraw/zinc/41/72/10/794417210.db2.gz JMCFWYXIJDRDJI-OLZOCXBDSA-N 1 2 349.453 -1.368 20 30 EAEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221139692 794417207 /nfs/dbraw/zinc/41/72/07/794417207.db2.gz JMCFWYXIJDRDJI-OLZOCXBDSA-N 1 2 349.453 -1.368 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221143427 794418805 /nfs/dbraw/zinc/41/88/05/794418805.db2.gz DMDNBMWAVWZALZ-OLZOCXBDSA-N 1 2 329.397 -1.497 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221143427 794418802 /nfs/dbraw/zinc/41/88/02/794418802.db2.gz DMDNBMWAVWZALZ-OLZOCXBDSA-N 1 2 329.397 -1.497 20 30 EAEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221143980 794418530 /nfs/dbraw/zinc/41/85/30/794418530.db2.gz YTIKCWSNFWUHKB-UPJWGTAASA-N 1 2 349.453 -1.370 20 30 EAEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221143980 794418525 /nfs/dbraw/zinc/41/85/25/794418525.db2.gz YTIKCWSNFWUHKB-UPJWGTAASA-N 1 2 349.453 -1.370 20 30 EAEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221143981 794419538 /nfs/dbraw/zinc/41/95/38/794419538.db2.gz YTIKCWSNFWUHKB-XQQFMLRXSA-N 1 2 349.453 -1.370 20 30 EAEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221143981 794419533 /nfs/dbraw/zinc/41/95/33/794419533.db2.gz YTIKCWSNFWUHKB-XQQFMLRXSA-N 1 2 349.453 -1.370 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152080 794418685 /nfs/dbraw/zinc/41/86/85/794418685.db2.gz TZCSBDWCMLGQGP-MCIONIFRSA-N 1 2 341.408 -1.661 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152080 794418680 /nfs/dbraw/zinc/41/86/80/794418680.db2.gz TZCSBDWCMLGQGP-MCIONIFRSA-N 1 2 341.408 -1.661 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152081 794419235 /nfs/dbraw/zinc/41/92/35/794419235.db2.gz TZCSBDWCMLGQGP-MJBXVCDLSA-N 1 2 341.408 -1.661 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152081 794419229 /nfs/dbraw/zinc/41/92/29/794419229.db2.gz TZCSBDWCMLGQGP-MJBXVCDLSA-N 1 2 341.408 -1.661 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152286 794418782 /nfs/dbraw/zinc/41/87/82/794418782.db2.gz YGCKGCUZEWRGSM-MCIONIFRSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152286 794418779 /nfs/dbraw/zinc/41/87/79/794418779.db2.gz YGCKGCUZEWRGSM-MCIONIFRSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152287 794420020 /nfs/dbraw/zinc/42/00/20/794420020.db2.gz YGCKGCUZEWRGSM-MJBXVCDLSA-N 1 2 343.424 -1.109 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221152287 794420016 /nfs/dbraw/zinc/42/00/16/794420016.db2.gz YGCKGCUZEWRGSM-MJBXVCDLSA-N 1 2 343.424 -1.109 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221154104 794420524 /nfs/dbraw/zinc/42/05/24/794420524.db2.gz BCYAHUPNHVHKOR-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221154104 794420520 /nfs/dbraw/zinc/42/05/20/794420520.db2.gz BCYAHUPNHVHKOR-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154319 794420248 /nfs/dbraw/zinc/42/02/48/794420248.db2.gz LGQUPGHTGBGCPH-KFWWJZLASA-N 1 2 347.419 -1.038 20 30 EAEDLO C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154320 794419921 /nfs/dbraw/zinc/41/99/21/794419921.db2.gz LGQUPGHTGBGCPH-ZNMIVQPWSA-N 1 2 347.419 -1.038 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221159089 794420410 /nfs/dbraw/zinc/42/04/10/794420410.db2.gz GBPXEQRRHMSXQW-OLZOCXBDSA-N 1 2 334.380 -1.536 20 30 EAEDLO C#CCNC(=O)CN1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221159769 794420287 /nfs/dbraw/zinc/42/02/87/794420287.db2.gz SZBLHMTVYGDPLK-KGLIPLIRSA-N 1 2 333.392 -1.426 20 30 EAEDLO CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164895 794420202 /nfs/dbraw/zinc/42/02/02/794420202.db2.gz YAAJJNXFNVVHRI-KGLIPLIRSA-N 1 2 348.407 -1.193 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221166144 794421141 /nfs/dbraw/zinc/42/11/41/794421141.db2.gz LXGKWROVWLFMJG-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221166144 794421138 /nfs/dbraw/zinc/42/11/38/794421138.db2.gz LXGKWROVWLFMJG-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C2)C1=O ZINC001221171036 794421971 /nfs/dbraw/zinc/42/19/71/794421971.db2.gz BZESPYZDRUQQDM-AGIUHOORSA-N 1 2 338.408 -1.410 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C2)C1=O ZINC001221171036 794421965 /nfs/dbraw/zinc/42/19/65/794421965.db2.gz BZESPYZDRUQQDM-AGIUHOORSA-N 1 2 338.408 -1.410 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C2)C1=O ZINC001221171037 794422136 /nfs/dbraw/zinc/42/21/36/794422136.db2.gz BZESPYZDRUQQDM-UPJWGTAASA-N 1 2 338.408 -1.410 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C2)C1=O ZINC001221171037 794422129 /nfs/dbraw/zinc/42/21/29/794422129.db2.gz BZESPYZDRUQQDM-UPJWGTAASA-N 1 2 338.408 -1.410 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171395 794421726 /nfs/dbraw/zinc/42/17/26/794421726.db2.gz SJHYYHCCVGRWCF-TUAOUCFPSA-N 1 2 326.397 -1.506 20 30 EAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171395 794421720 /nfs/dbraw/zinc/42/17/20/794421720.db2.gz SJHYYHCCVGRWCF-TUAOUCFPSA-N 1 2 326.397 -1.506 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171396 794422613 /nfs/dbraw/zinc/42/26/13/794422613.db2.gz SJHYYHCCVGRWCF-UTUOFQBUSA-N 1 2 326.397 -1.506 20 30 EAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171396 794422610 /nfs/dbraw/zinc/42/26/10/794422610.db2.gz SJHYYHCCVGRWCF-UTUOFQBUSA-N 1 2 326.397 -1.506 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](O)C1 ZINC001221184432 794425209 /nfs/dbraw/zinc/42/52/09/794425209.db2.gz VSJPVOOCGPRPCE-KFWWJZLASA-N 1 2 326.393 -1.007 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](O)C1 ZINC001221184432 794425205 /nfs/dbraw/zinc/42/52/05/794425205.db2.gz VSJPVOOCGPRPCE-KFWWJZLASA-N 1 2 326.393 -1.007 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221184434 794425024 /nfs/dbraw/zinc/42/50/24/794425024.db2.gz VSJPVOOCGPRPCE-ZNMIVQPWSA-N 1 2 326.393 -1.007 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221184434 794425020 /nfs/dbraw/zinc/42/50/20/794425020.db2.gz VSJPVOOCGPRPCE-ZNMIVQPWSA-N 1 2 326.393 -1.007 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001221189825 794424988 /nfs/dbraw/zinc/42/49/88/794424988.db2.gz MJAUEQBNWKPIOR-ZNMIVQPWSA-N 1 2 325.409 -1.482 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001221189825 794424984 /nfs/dbraw/zinc/42/49/84/794424984.db2.gz MJAUEQBNWKPIOR-ZNMIVQPWSA-N 1 2 325.409 -1.482 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190234 794426447 /nfs/dbraw/zinc/42/64/47/794426447.db2.gz ZZQBCGMPGJJKKF-BNOWGMLFSA-N 1 2 348.407 -1.953 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190234 794426442 /nfs/dbraw/zinc/42/64/42/794426442.db2.gz ZZQBCGMPGJJKKF-BNOWGMLFSA-N 1 2 348.407 -1.953 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190235 794426535 /nfs/dbraw/zinc/42/65/35/794426535.db2.gz ZZQBCGMPGJJKKF-YUTCNCBUSA-N 1 2 348.407 -1.953 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221190235 794426533 /nfs/dbraw/zinc/42/65/33/794426533.db2.gz ZZQBCGMPGJJKKF-YUTCNCBUSA-N 1 2 348.407 -1.953 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221193055 794426118 /nfs/dbraw/zinc/42/61/18/794426118.db2.gz YJDPVZFFXVJVAR-OLZOCXBDSA-N 1 2 336.396 -1.789 20 30 EAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221193055 794426115 /nfs/dbraw/zinc/42/61/15/794426115.db2.gz YJDPVZFFXVJVAR-OLZOCXBDSA-N 1 2 336.396 -1.789 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@@H](O)C1 ZINC001221194687 794426285 /nfs/dbraw/zinc/42/62/85/794426285.db2.gz HJYZFXWQBTZMMZ-MCIONIFRSA-N 1 2 325.409 -1.055 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@@H](O)C1 ZINC001221194687 794426283 /nfs/dbraw/zinc/42/62/83/794426283.db2.gz HJYZFXWQBTZMMZ-MCIONIFRSA-N 1 2 325.409 -1.055 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@@H](O)C1 ZINC001221194688 794426620 /nfs/dbraw/zinc/42/66/20/794426620.db2.gz HJYZFXWQBTZMMZ-MJBXVCDLSA-N 1 2 325.409 -1.055 20 30 EAEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@@H](O)C1 ZINC001221194688 794426614 /nfs/dbraw/zinc/42/66/14/794426614.db2.gz HJYZFXWQBTZMMZ-MJBXVCDLSA-N 1 2 325.409 -1.055 20 30 EAEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001221200371 794428567 /nfs/dbraw/zinc/42/85/67/794428567.db2.gz NOGSHEBHNWJACC-KGLIPLIRSA-N 1 2 332.360 -1.395 20 30 EAEDLO 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/nfs/dbraw/zinc/43/68/18/794436818.db2.gz GTRSWAOHZTWHOK-BFHYXJOUSA-N 1 2 332.404 -1.205 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001221476985 794437276 /nfs/dbraw/zinc/43/72/76/794437276.db2.gz GTRSWAOHZTWHOK-MGPQQGTHSA-N 1 2 332.404 -1.205 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001221476985 794437267 /nfs/dbraw/zinc/43/72/67/794437267.db2.gz GTRSWAOHZTWHOK-MGPQQGTHSA-N 1 2 332.404 -1.205 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001221477256 794436534 /nfs/dbraw/zinc/43/65/34/794436534.db2.gz QXTUDSYWLQMXMS-JHJVBQTASA-N 1 2 333.392 -1.315 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001221477256 794436523 /nfs/dbraw/zinc/43/65/23/794436523.db2.gz QXTUDSYWLQMXMS-JHJVBQTASA-N 1 2 333.392 -1.315 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001221477257 794437724 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CERDNSPVPDKCNT-MCIONIFRSA-N 1 2 335.408 -1.511 20 30 EAEDLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221483789 794437377 /nfs/dbraw/zinc/43/73/77/794437377.db2.gz CERDNSPVPDKCNT-MGPQQGTHSA-N 1 2 335.408 -1.511 20 30 EAEDLO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001221483789 794437375 /nfs/dbraw/zinc/43/73/75/794437375.db2.gz CERDNSPVPDKCNT-MGPQQGTHSA-N 1 2 335.408 -1.511 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001221484174 794439557 /nfs/dbraw/zinc/43/95/57/794439557.db2.gz LMUMYIOXPHPECX-KFWWJZLASA-N 1 2 334.420 -1.401 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001221484174 794439548 /nfs/dbraw/zinc/43/95/48/794439548.db2.gz LMUMYIOXPHPECX-KFWWJZLASA-N 1 2 334.420 -1.401 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001221484175 794439268 /nfs/dbraw/zinc/43/92/68/794439268.db2.gz LMUMYIOXPHPECX-RBSFLKMASA-N 1 2 334.420 -1.401 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001221484175 794439265 /nfs/dbraw/zinc/43/92/65/794439265.db2.gz LMUMYIOXPHPECX-RBSFLKMASA-N 1 2 334.420 -1.401 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001221486776 794439197 /nfs/dbraw/zinc/43/91/97/794439197.db2.gz AGKYGLXWZROPII-ZIAGYGMSSA-N 1 2 335.408 -1.509 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001221486776 794439195 /nfs/dbraw/zinc/43/91/95/794439195.db2.gz AGKYGLXWZROPII-ZIAGYGMSSA-N 1 2 335.408 -1.509 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001221488321 794439638 /nfs/dbraw/zinc/43/96/38/794439638.db2.gz CIFCSHHKMDRRCI-VXGBXAGGSA-N 1 2 332.364 -1.734 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001221488321 794439636 /nfs/dbraw/zinc/43/96/36/794439636.db2.gz CIFCSHHKMDRRCI-VXGBXAGGSA-N 1 2 332.364 -1.734 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3N)[C@@H]2C1 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C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1=O ZINC001235410358 794637816 /nfs/dbraw/zinc/63/78/16/794637816.db2.gz RAHUFUONMPKVDB-ZDUSSCGKSA-N 1 2 336.392 -1.873 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1=O ZINC001235410435 794637728 /nfs/dbraw/zinc/63/77/28/794637728.db2.gz RWTJZLDDIWRYSE-CYBMUJFWSA-N 1 2 338.408 -1.320 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1=O ZINC001235410435 794637727 /nfs/dbraw/zinc/63/77/27/794637727.db2.gz RWTJZLDDIWRYSE-CYBMUJFWSA-N 1 2 338.408 -1.320 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1=O ZINC001235410444 794637683 /nfs/dbraw/zinc/63/76/83/794637683.db2.gz RWTJZLDDIWRYSE-ZDUSSCGKSA-N 1 2 338.408 -1.320 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1=O ZINC001235410444 794637681 /nfs/dbraw/zinc/63/76/81/794637681.db2.gz RWTJZLDDIWRYSE-ZDUSSCGKSA-N 1 2 338.408 -1.320 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235469476 794637778 /nfs/dbraw/zinc/63/77/78/794637778.db2.gz FORWUOSYWAEWSE-MNOVXSKESA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235469476 794637776 /nfs/dbraw/zinc/63/77/76/794637776.db2.gz FORWUOSYWAEWSE-MNOVXSKESA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235469477 794636801 /nfs/dbraw/zinc/63/68/01/794636801.db2.gz FORWUOSYWAEWSE-QWRGUYRKSA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235469477 794636796 /nfs/dbraw/zinc/63/67/96/794636796.db2.gz FORWUOSYWAEWSE-QWRGUYRKSA-N 1 2 337.380 -1.581 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235471688 794639089 /nfs/dbraw/zinc/63/90/89/794639089.db2.gz PRGPWHAATDLWCI-MNOVXSKESA-N 1 2 335.364 -2.133 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235471688 794639086 /nfs/dbraw/zinc/63/90/86/794639086.db2.gz PRGPWHAATDLWCI-MNOVXSKESA-N 1 2 335.364 -2.133 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235471689 794638879 /nfs/dbraw/zinc/63/88/79/794638879.db2.gz PRGPWHAATDLWCI-QWRGUYRKSA-N 1 2 335.364 -2.133 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235471689 794638876 /nfs/dbraw/zinc/63/88/76/794638876.db2.gz PRGPWHAATDLWCI-QWRGUYRKSA-N 1 2 335.364 -2.133 20 30 EAEDLO C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[C@H]3[C@@](CN(CC)S3(=O)=O)(C1)O2 ZINC001251841061 794684346 /nfs/dbraw/zinc/68/43/46/794684346.db2.gz ZVBUMYGVGMPNQY-KBXIAJHMSA-N 1 2 344.433 -1.126 20 30 EAEDLO C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(CC)S3(=O)=O)(C1)O2 ZINC001251841061 794684341 /nfs/dbraw/zinc/68/43/41/794684341.db2.gz ZVBUMYGVGMPNQY-KBXIAJHMSA-N 1 2 344.433 -1.126 20 30 EAEDLO C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@H]3[C@@](CN(CC)S3(=O)=O)(C1)O2 ZINC001251841062 794684434 /nfs/dbraw/zinc/68/44/34/794684434.db2.gz ZVBUMYGVGMPNQY-XGUBFFRZSA-N 1 2 344.433 -1.126 20 30 EAEDLO C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(CC)S3(=O)=O)(C1)O2 ZINC001251841062 794684429 /nfs/dbraw/zinc/68/44/29/794684429.db2.gz ZVBUMYGVGMPNQY-XGUBFFRZSA-N 1 2 344.433 -1.126 20 30 EAEDLO C#CCOC[C@H](O)C[NH2+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001251894456 794685321 /nfs/dbraw/zinc/68/53/21/794685321.db2.gz UKVMXSNHJHDJIZ-OLZOCXBDSA-N 1 2 338.364 -1.488 20 30 EAEDLO C#CCOC[C@H](O)C[NH2+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001251894456 794685316 /nfs/dbraw/zinc/68/53/16/794685316.db2.gz UKVMXSNHJHDJIZ-OLZOCXBDSA-N 1 2 338.364 -1.488 20 30 EAEDLO C#CCOC[C@@H](O)C[NH2+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001251894457 794685729 /nfs/dbraw/zinc/68/57/29/794685729.db2.gz UKVMXSNHJHDJIZ-STQMWFEESA-N 1 2 338.364 -1.488 20 30 EAEDLO C#CCOC[C@@H](O)C[NH2+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001251894457 794685724 /nfs/dbraw/zinc/68/57/24/794685724.db2.gz UKVMXSNHJHDJIZ-STQMWFEESA-N 1 2 338.364 -1.488 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001253872050 794697013 /nfs/dbraw/zinc/69/70/13/794697013.db2.gz OFSSEGIVENQXLY-LLVKDONJSA-N 1 2 325.369 -2.701 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001253872050 794697008 /nfs/dbraw/zinc/69/70/08/794697008.db2.gz OFSSEGIVENQXLY-LLVKDONJSA-N 1 2 325.369 -2.701 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001253872051 794697281 /nfs/dbraw/zinc/69/72/81/794697281.db2.gz OFSSEGIVENQXLY-NSHDSACASA-N 1 2 325.369 -2.701 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001253872051 794697274 /nfs/dbraw/zinc/69/72/74/794697274.db2.gz OFSSEGIVENQXLY-NSHDSACASA-N 1 2 325.369 -2.701 20 30 EAEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001255586682 794733302 /nfs/dbraw/zinc/73/33/02/794733302.db2.gz AECPJYLNYKIBOB-KIJLLGNVSA-N 1 2 348.396 -1.772 20 30 EAEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001255586687 794732655 /nfs/dbraw/zinc/73/26/55/794732655.db2.gz AECPJYLNYKIBOB-NZEXEKPDSA-N 1 2 348.396 -1.772 20 30 EAEDLO O=C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257951602 794751426 /nfs/dbraw/zinc/75/14/26/794751426.db2.gz YVQAOQVYTDDINK-BUONHZGMSA-N 1 2 345.779 -1.124 20 30 EAEDLO O=C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257951603 794751276 /nfs/dbraw/zinc/75/12/76/794751276.db2.gz YVQAOQVYTDDINK-CWFCOSEVSA-N 1 2 345.779 -1.124 20 30 EAEDLO C#CCSCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001261092412 794773279 /nfs/dbraw/zinc/77/32/79/794773279.db2.gz BRARERFOMCLKCM-CYBMUJFWSA-N 1 2 343.449 -1.380 20 30 EAEDLO C#CCSCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001261092413 794772766 /nfs/dbraw/zinc/77/27/66/794772766.db2.gz BRARERFOMCLKCM-ZDUSSCGKSA-N 1 2 343.449 -1.380 20 30 EAEDLO N#CCNC(=O)CN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001263728927 794819443 /nfs/dbraw/zinc/81/94/43/794819443.db2.gz QKAZXPZYIANZEN-KGLIPLIRSA-N 1 2 342.359 -1.022 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001263805696 794819261 /nfs/dbraw/zinc/81/92/61/794819261.db2.gz UHBJZDFROGYYLE-GFCCVEGCSA-N 1 2 332.426 -1.777 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001263805696 794819254 /nfs/dbraw/zinc/81/92/54/794819254.db2.gz UHBJZDFROGYYLE-GFCCVEGCSA-N 1 2 332.426 -1.777 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001263805697 794820955 /nfs/dbraw/zinc/82/09/55/794820955.db2.gz UHBJZDFROGYYLE-LBPRGKRZSA-N 1 2 332.426 -1.777 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001263805697 794820944 /nfs/dbraw/zinc/82/09/44/794820944.db2.gz UHBJZDFROGYYLE-LBPRGKRZSA-N 1 2 332.426 -1.777 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001263811815 794820375 /nfs/dbraw/zinc/82/03/75/794820375.db2.gz AWFVYFFQEAALLI-MNOVXSKESA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001263811815 794820366 /nfs/dbraw/zinc/82/03/66/794820366.db2.gz AWFVYFFQEAALLI-MNOVXSKESA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001263811816 794820142 /nfs/dbraw/zinc/82/01/42/794820142.db2.gz AWFVYFFQEAALLI-QWRGUYRKSA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001263811816 794820135 /nfs/dbraw/zinc/82/01/35/794820135.db2.gz AWFVYFFQEAALLI-QWRGUYRKSA-N 1 2 337.380 -1.581 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001263812919 794820314 /nfs/dbraw/zinc/82/03/14/794820314.db2.gz XFQVCPNEDUAROP-NEPJUHHUSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001263812919 794820307 /nfs/dbraw/zinc/82/03/07/794820307.db2.gz XFQVCPNEDUAROP-NEPJUHHUSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001263812920 794820497 /nfs/dbraw/zinc/82/04/97/794820497.db2.gz XFQVCPNEDUAROP-NWDGAFQWSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001263812920 794820495 /nfs/dbraw/zinc/82/04/95/794820495.db2.gz XFQVCPNEDUAROP-NWDGAFQWSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001263812921 794820202 /nfs/dbraw/zinc/82/02/02/794820202.db2.gz XFQVCPNEDUAROP-RYUDHWBXSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001263812921 794820194 /nfs/dbraw/zinc/82/01/94/794820194.db2.gz XFQVCPNEDUAROP-RYUDHWBXSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001263812922 794821287 /nfs/dbraw/zinc/82/12/87/794821287.db2.gz XFQVCPNEDUAROP-VXGBXAGGSA-N 1 2 346.453 -1.241 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001263812922 794821283 /nfs/dbraw/zinc/82/12/83/794821283.db2.gz 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ZINC001265295255 794858459 /nfs/dbraw/zinc/85/84/59/794858459.db2.gz SIKIFGCNOWKASY-SNVBAGLBSA-N 1 2 331.398 -3.020 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001265295255 794858453 /nfs/dbraw/zinc/85/84/53/794858453.db2.gz SIKIFGCNOWKASY-SNVBAGLBSA-N 1 2 331.398 -3.020 20 30 EAEDLO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1=O ZINC001265295330 794858755 /nfs/dbraw/zinc/85/87/55/794858755.db2.gz UNNFWIAPDQCZSJ-LLVKDONJSA-N 1 2 335.368 -2.198 20 30 EAEDLO Cn1cnn(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1=O ZINC001265295330 794858750 /nfs/dbraw/zinc/85/87/50/794858750.db2.gz UNNFWIAPDQCZSJ-LLVKDONJSA-N 1 2 335.368 -2.198 20 30 EAEDLO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1=O ZINC001265295331 794857274 /nfs/dbraw/zinc/85/72/74/794857274.db2.gz UNNFWIAPDQCZSJ-NSHDSACASA-N 1 2 335.368 -2.198 20 30 EAEDLO Cn1cnn(CCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1=O ZINC001265295331 794857270 /nfs/dbraw/zinc/85/72/70/794857270.db2.gz UNNFWIAPDQCZSJ-NSHDSACASA-N 1 2 335.368 -2.198 20 30 EAEDLO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1C ZINC001265296833 794857888 /nfs/dbraw/zinc/85/78/88/794857888.db2.gz FFJSBRQRPURMKM-GFCCVEGCSA-N 1 2 346.391 -1.159 20 30 EAEDLO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1C ZINC001265296833 794857880 /nfs/dbraw/zinc/85/78/80/794857880.db2.gz FFJSBRQRPURMKM-GFCCVEGCSA-N 1 2 346.391 -1.159 20 30 EAEDLO Cc1nn(C)c(=O)c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1C ZINC001265296834 794857580 /nfs/dbraw/zinc/85/75/80/794857580.db2.gz FFJSBRQRPURMKM-LBPRGKRZSA-N 1 2 346.391 -1.159 20 30 EAEDLO Cc1nn(C)c(=O)c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1C ZINC001265296834 794857573 /nfs/dbraw/zinc/85/75/73/794857573.db2.gz FFJSBRQRPURMKM-LBPRGKRZSA-N 1 2 346.391 -1.159 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n(C)c1=O ZINC001265306109 794858584 /nfs/dbraw/zinc/85/85/84/794858584.db2.gz JVAYDLCMUOJBCO-JTQLQIEISA-N 1 2 348.363 -2.472 20 30 EAEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n(C)c1=O ZINC001265306109 794858579 /nfs/dbraw/zinc/85/85/79/794858579.db2.gz JVAYDLCMUOJBCO-JTQLQIEISA-N 1 2 348.363 -2.472 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n(C)c1=O ZINC001265306110 794858073 /nfs/dbraw/zinc/85/80/73/794858073.db2.gz JVAYDLCMUOJBCO-SNVBAGLBSA-N 1 2 348.363 -2.472 20 30 EAEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n(C)c1=O ZINC001265306110 794858066 /nfs/dbraw/zinc/85/80/66/794858066.db2.gz JVAYDLCMUOJBCO-SNVBAGLBSA-N 1 2 348.363 -2.472 20 30 EAEDLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265310529 794858816 /nfs/dbraw/zinc/85/88/16/794858816.db2.gz PTHRJAKSTHBOPZ-LLVKDONJSA-N 1 2 345.425 -1.902 20 30 EAEDLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265310529 794858811 /nfs/dbraw/zinc/85/88/11/794858811.db2.gz PTHRJAKSTHBOPZ-LLVKDONJSA-N 1 2 345.425 -1.902 20 30 EAEDLO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001265310530 794858213 /nfs/dbraw/zinc/85/82/13/794858213.db2.gz PTHRJAKSTHBOPZ-NSHDSACASA-N 1 2 345.425 -1.902 20 30 EAEDLO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001265310530 794858204 /nfs/dbraw/zinc/85/82/04/794858204.db2.gz PTHRJAKSTHBOPZ-NSHDSACASA-N 1 2 345.425 -1.902 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001265312710 794857594 /nfs/dbraw/zinc/85/75/94/794857594.db2.gz TYXOXWBXAABZNT-LLVKDONJSA-N 1 2 337.380 -1.627 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001265312710 794857592 /nfs/dbraw/zinc/85/75/92/794857592.db2.gz TYXOXWBXAABZNT-LLVKDONJSA-N 1 2 337.380 -1.627 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001265312711 794857504 /nfs/dbraw/zinc/85/75/04/794857504.db2.gz TYXOXWBXAABZNT-NSHDSACASA-N 1 2 337.380 -1.627 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001265312711 794857499 /nfs/dbraw/zinc/85/74/99/794857499.db2.gz TYXOXWBXAABZNT-NSHDSACASA-N 1 2 337.380 -1.627 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001265315169 794859460 /nfs/dbraw/zinc/85/94/60/794859460.db2.gz QOGSBEOVVHBBAN-GHMZBOCLSA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001265315169 794859457 /nfs/dbraw/zinc/85/94/57/794859457.db2.gz QOGSBEOVVHBBAN-GHMZBOCLSA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001265315170 794859255 /nfs/dbraw/zinc/85/92/55/794859255.db2.gz QOGSBEOVVHBBAN-MNOVXSKESA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001265315170 794859252 /nfs/dbraw/zinc/85/92/52/794859252.db2.gz QOGSBEOVVHBBAN-MNOVXSKESA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001265315171 794859777 /nfs/dbraw/zinc/85/97/77/794859777.db2.gz QOGSBEOVVHBBAN-QWRGUYRKSA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001265315171 794859768 /nfs/dbraw/zinc/85/97/68/794859768.db2.gz QOGSBEOVVHBBAN-QWRGUYRKSA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001265315172 794859442 /nfs/dbraw/zinc/85/94/42/794859442.db2.gz QOGSBEOVVHBBAN-WDEREUQCSA-N 1 2 335.364 -2.086 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001265315172 794859438 /nfs/dbraw/zinc/85/94/38/794859438.db2.gz QOGSBEOVVHBBAN-WDEREUQCSA-N 1 2 335.364 -2.086 20 30 EAEDLO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001265315313 794859504 /nfs/dbraw/zinc/85/95/04/794859504.db2.gz TYKPBFRFDQCJQU-LLVKDONJSA-N 1 2 335.368 -2.280 20 30 EAEDLO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001265315313 794859502 /nfs/dbraw/zinc/85/95/02/794859502.db2.gz TYKPBFRFDQCJQU-LLVKDONJSA-N 1 2 335.368 -2.280 20 30 EAEDLO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001265315314 794860180 /nfs/dbraw/zinc/86/01/80/794860180.db2.gz TYKPBFRFDQCJQU-NSHDSACASA-N 1 2 335.368 -2.280 20 30 EAEDLO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001265315314 794860174 /nfs/dbraw/zinc/86/01/74/794860174.db2.gz TYKPBFRFDQCJQU-NSHDSACASA-N 1 2 335.368 -2.280 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001265317001 794859911 /nfs/dbraw/zinc/85/99/11/794859911.db2.gz HUHILWVNDJUYGU-GHMZBOCLSA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001265317001 794859905 /nfs/dbraw/zinc/85/99/05/794859905.db2.gz HUHILWVNDJUYGU-GHMZBOCLSA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001265317002 794859618 /nfs/dbraw/zinc/85/96/18/794859618.db2.gz HUHILWVNDJUYGU-MNOVXSKESA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001265317002 794859616 /nfs/dbraw/zinc/85/96/16/794859616.db2.gz HUHILWVNDJUYGU-MNOVXSKESA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001265317003 794859544 /nfs/dbraw/zinc/85/95/44/794859544.db2.gz HUHILWVNDJUYGU-QWRGUYRKSA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001265317003 794859541 /nfs/dbraw/zinc/85/95/41/794859541.db2.gz HUHILWVNDJUYGU-QWRGUYRKSA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001265317004 794859562 /nfs/dbraw/zinc/85/95/62/794859562.db2.gz HUHILWVNDJUYGU-WDEREUQCSA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001265317004 794859559 /nfs/dbraw/zinc/85/95/59/794859559.db2.gz HUHILWVNDJUYGU-WDEREUQCSA-N 1 2 328.394 -2.382 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001265317427 794859994 /nfs/dbraw/zinc/85/99/94/794859994.db2.gz OWASBQKOSFMCKO-GFCCVEGCSA-N 1 2 341.375 -1.393 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001265317427 794859986 /nfs/dbraw/zinc/85/99/86/794859986.db2.gz OWASBQKOSFMCKO-GFCCVEGCSA-N 1 2 341.375 -1.393 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001265317428 794859426 /nfs/dbraw/zinc/85/94/26/794859426.db2.gz OWASBQKOSFMCKO-LBPRGKRZSA-N 1 2 341.375 -1.393 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001265317428 794859422 /nfs/dbraw/zinc/85/94/22/794859422.db2.gz OWASBQKOSFMCKO-LBPRGKRZSA-N 1 2 341.375 -1.393 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001265318588 794859514 /nfs/dbraw/zinc/85/95/14/794859514.db2.gz BBQUOTHLDPYPGG-NEPJUHHUSA-N 1 2 331.380 -1.329 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001265318588 794859511 /nfs/dbraw/zinc/85/95/11/794859511.db2.gz BBQUOTHLDPYPGG-NEPJUHHUSA-N 1 2 331.380 -1.329 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001265318589 794859538 /nfs/dbraw/zinc/85/95/38/794859538.db2.gz 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C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001266339403 785091276 /nfs/dbraw/zinc/09/12/76/785091276.db2.gz PROMOFXBGMLGAM-NSHDSACASA-N 1 2 332.360 -1.139 20 30 EAEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001266340447 785091605 /nfs/dbraw/zinc/09/16/05/785091605.db2.gz ZBHIPNZYKNOIGY-UHFFFAOYSA-N 1 2 335.364 -2.276 20 30 EAEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001266340447 785091595 /nfs/dbraw/zinc/09/15/95/785091595.db2.gz ZBHIPNZYKNOIGY-UHFFFAOYSA-N 1 2 335.364 -2.276 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266341680 785091955 /nfs/dbraw/zinc/09/19/55/785091955.db2.gz LRQMLXQCMVOFNW-CHWSQXEVSA-N 1 2 345.407 -1.435 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266341680 785091953 /nfs/dbraw/zinc/09/19/53/785091953.db2.gz LRQMLXQCMVOFNW-CHWSQXEVSA-N 1 2 345.407 -1.435 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266341681 785092000 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C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348081 785093263 /nfs/dbraw/zinc/09/32/63/785093263.db2.gz WJUOSQLSKOXSGY-NXEZZACHSA-N 1 2 335.368 -1.148 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348082 785093312 /nfs/dbraw/zinc/09/33/12/785093312.db2.gz WJUOSQLSKOXSGY-UWVGGRQHSA-N 1 2 335.368 -1.148 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348082 785093301 /nfs/dbraw/zinc/09/33/01/785093301.db2.gz WJUOSQLSKOXSGY-UWVGGRQHSA-N 1 2 335.368 -1.148 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348083 785092406 /nfs/dbraw/zinc/09/24/06/785092406.db2.gz WJUOSQLSKOXSGY-VHSXEESVSA-N 1 2 335.368 -1.148 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348083 785092396 /nfs/dbraw/zinc/09/23/96/785092396.db2.gz WJUOSQLSKOXSGY-VHSXEESVSA-N 1 2 335.368 -1.148 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348084 785094202 /nfs/dbraw/zinc/09/42/02/785094202.db2.gz WJUOSQLSKOXSGY-ZJUUUORDSA-N 1 2 335.368 -1.148 20 30 EAEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC001266348084 785094190 /nfs/dbraw/zinc/09/41/90/785094190.db2.gz WJUOSQLSKOXSGY-ZJUUUORDSA-N 1 2 335.368 -1.148 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350429 785094127 /nfs/dbraw/zinc/09/41/27/785094127.db2.gz UEEBOOCGEAMWIX-JTQLQIEISA-N 1 2 348.325 -1.005 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350429 785094115 /nfs/dbraw/zinc/09/41/15/785094115.db2.gz UEEBOOCGEAMWIX-JTQLQIEISA-N 1 2 348.325 -1.005 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350430 785093664 /nfs/dbraw/zinc/09/36/64/785093664.db2.gz UEEBOOCGEAMWIX-SNVBAGLBSA-N 1 2 348.325 -1.005 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350430 785093651 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20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356591 785095805 /nfs/dbraw/zinc/09/58/05/785095805.db2.gz UYPMNJXUDOQDLN-NEPJUHHUSA-N 1 2 344.437 -1.794 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356592 785096650 /nfs/dbraw/zinc/09/66/50/785096650.db2.gz UYPMNJXUDOQDLN-NWDGAFQWSA-N 1 2 344.437 -1.794 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356592 785096638 /nfs/dbraw/zinc/09/66/38/785096638.db2.gz UYPMNJXUDOQDLN-NWDGAFQWSA-N 1 2 344.437 -1.794 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356593 785097020 /nfs/dbraw/zinc/09/70/20/785097020.db2.gz UYPMNJXUDOQDLN-RYUDHWBXSA-N 1 2 344.437 -1.794 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356593 785097018 /nfs/dbraw/zinc/09/70/18/785097018.db2.gz UYPMNJXUDOQDLN-RYUDHWBXSA-N 1 2 344.437 -1.794 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356594 785097722 /nfs/dbraw/zinc/09/77/22/785097722.db2.gz UYPMNJXUDOQDLN-VXGBXAGGSA-N 1 2 344.437 -1.794 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001266356594 785097714 /nfs/dbraw/zinc/09/77/14/785097714.db2.gz UYPMNJXUDOQDLN-VXGBXAGGSA-N 1 2 344.437 -1.794 20 30 EAEDLO C[N@@H+](CCNC(=O)CCC(=O)N1CCOCC1)CC(=O)NCC#N ZINC001266357404 785096367 /nfs/dbraw/zinc/09/63/67/785096367.db2.gz WZBGRTQPBDALPE-UHFFFAOYSA-N 1 2 339.396 -1.687 20 30 EAEDLO C[N@H+](CCNC(=O)CCC(=O)N1CCOCC1)CC(=O)NCC#N ZINC001266357404 785096358 /nfs/dbraw/zinc/09/63/58/785096358.db2.gz WZBGRTQPBDALPE-UHFFFAOYSA-N 1 2 339.396 -1.687 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266358239 785096831 /nfs/dbraw/zinc/09/68/31/785096831.db2.gz BJSPOPMLINZCFC-GHMZBOCLSA-N 1 2 337.380 -1.533 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266358239 785096821 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344.437 -1.746 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001267634664 785266943 /nfs/dbraw/zinc/26/69/43/785266943.db2.gz JOTXTTVFARVPAY-RYUDHWBXSA-N 1 2 344.437 -1.746 20 30 EAEDLO C=CCOCC[NH+]1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001267663774 785270618 /nfs/dbraw/zinc/27/06/18/785270618.db2.gz OAFCLXAWTZPKAI-UHFFFAOYSA-N 1 2 332.364 -1.106 20 30 EAEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CNC(C)=O)C1 ZINC001267673519 785272705 /nfs/dbraw/zinc/27/27/05/785272705.db2.gz HCGSRUPPXBDAAU-UHFFFAOYSA-N 1 2 325.369 -1.818 20 30 EAEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001267676129 785272512 /nfs/dbraw/zinc/27/25/12/785272512.db2.gz DGLIKQYXPRUCIP-LLVKDONJSA-N 1 2 337.380 -1.675 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001267681660 785272656 /nfs/dbraw/zinc/27/26/56/785272656.db2.gz FAQAHEBFKGJNFD-NEPJUHHUSA-N 1 2 348.403 -1.290 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 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/nfs/dbraw/zinc/27/37/55/785273755.db2.gz GOIXDZLMXSSLBA-VIFPVBQESA-N 1 2 335.368 -1.291 20 30 EAEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001267694816 785275112 /nfs/dbraw/zinc/27/51/12/785275112.db2.gz IQDLWCSFBRGUEF-UHFFFAOYSA-N 1 2 331.376 -1.326 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001267694955 785273418 /nfs/dbraw/zinc/27/34/18/785273418.db2.gz VJMWMBMEEGATSN-JTQLQIEISA-N 1 2 349.395 -1.123 20 30 EAEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001267694956 785273325 /nfs/dbraw/zinc/27/33/25/785273325.db2.gz VJMWMBMEEGATSN-SNVBAGLBSA-N 1 2 349.395 -1.123 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)COCc2nncn2C)C1 ZINC001267695123 785275720 /nfs/dbraw/zinc/27/57/20/785275720.db2.gz MBHWUBOHLDSAQI-GFCCVEGCSA-N 1 2 348.407 -1.482 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)COCc2nncn2C)C1 ZINC001267695124 785275550 /nfs/dbraw/zinc/27/55/50/785275550.db2.gz MBHWUBOHLDSAQI-LBPRGKRZSA-N 1 2 348.407 -1.482 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nc3ncccn3n2)C1 ZINC001267695155 785275589 /nfs/dbraw/zinc/27/55/89/785275589.db2.gz NBSPIPPVSWDBTF-LLVKDONJSA-N 1 2 341.375 -1.076 20 30 EAEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2nc3ncccn3n2)C1 ZINC001267695156 785275099 /nfs/dbraw/zinc/27/50/99/785275099.db2.gz NBSPIPPVSWDBTF-NSHDSACASA-N 1 2 341.375 -1.076 20 30 EAEDLO COCC#CC[NH+]1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267695364 785274903 /nfs/dbraw/zinc/27/49/03/785274903.db2.gz SZFFXNBFMJONBJ-UHFFFAOYSA-N 1 2 334.376 -1.376 20 30 EAEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267696716 785275307 /nfs/dbraw/zinc/27/53/07/785275307.db2.gz YDZUGKGYCJZWSY-UHFFFAOYSA-N 1 2 337.380 -1.769 20 30 EAEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267698509 785274996 /nfs/dbraw/zinc/27/49/96/785274996.db2.gz BAWLXJHPAAODFI-LLVKDONJSA-N 1 2 330.410 -1.972 20 30 EAEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267698511 785274885 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C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C ZINC001267717496 785280486 /nfs/dbraw/zinc/28/04/86/785280486.db2.gz WYJVIRQNWAUBMU-AGIUHOORSA-N 1 2 345.403 -1.240 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C ZINC001267717496 785280480 /nfs/dbraw/zinc/28/04/80/785280480.db2.gz WYJVIRQNWAUBMU-AGIUHOORSA-N 1 2 345.403 -1.240 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C ZINC001267717497 785280120 /nfs/dbraw/zinc/28/01/20/785280120.db2.gz WYJVIRQNWAUBMU-AVGNSLFASA-N 1 2 345.403 -1.240 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C ZINC001267717497 785280112 /nfs/dbraw/zinc/28/01/12/785280112.db2.gz WYJVIRQNWAUBMU-AVGNSLFASA-N 1 2 345.403 -1.240 20 30 EAEDLO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001267718532 785280330 /nfs/dbraw/zinc/28/03/30/785280330.db2.gz NFYNSRMTLVVBDZ-UHFFFAOYSA-N 1 2 343.449 -1.049 20 30 EAEDLO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001267718532 785280324 /nfs/dbraw/zinc/28/03/24/785280324.db2.gz NFYNSRMTLVVBDZ-UHFFFAOYSA-N 1 2 343.449 -1.049 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001267721550 785280267 /nfs/dbraw/zinc/28/02/67/785280267.db2.gz WKDJPERBMLHXNY-NSHDSACASA-N 1 2 349.395 -1.060 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001267721550 785280256 /nfs/dbraw/zinc/28/02/56/785280256.db2.gz WKDJPERBMLHXNY-NSHDSACASA-N 1 2 349.395 -1.060 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(=O)NCC)C1 ZINC001267721886 785280465 /nfs/dbraw/zinc/28/04/65/785280465.db2.gz NQDGFYKSXCZFPV-NSHDSACASA-N 1 2 339.396 -1.285 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(=O)NCC)C1 ZINC001267721886 785280459 /nfs/dbraw/zinc/28/04/59/785280459.db2.gz NQDGFYKSXCZFPV-NSHDSACASA-N 1 2 339.396 -1.285 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001267722698 785280343 /nfs/dbraw/zinc/28/03/43/785280343.db2.gz IGLFEPRCSJXRLI-WDEREUQCSA-N 1 2 337.380 -1.533 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001267722698 785280340 /nfs/dbraw/zinc/28/03/40/785280340.db2.gz IGLFEPRCSJXRLI-WDEREUQCSA-N 1 2 337.380 -1.533 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001267723925 785281317 /nfs/dbraw/zinc/28/13/17/785281317.db2.gz OFLJBYQXUWSGTB-LBPRGKRZSA-N 1 2 326.397 -1.416 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001267723925 785281313 /nfs/dbraw/zinc/28/13/13/785281313.db2.gz OFLJBYQXUWSGTB-LBPRGKRZSA-N 1 2 326.397 -1.416 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001267723930 785281242 /nfs/dbraw/zinc/28/12/42/785281242.db2.gz MDYCBYRNWCAXTO-OLZOCXBDSA-N 1 2 348.407 -1.134 20 30 EAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001267723930 785281234 /nfs/dbraw/zinc/28/12/34/785281234.db2.gz MDYCBYRNWCAXTO-OLZOCXBDSA-N 1 2 348.407 -1.134 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001267723932 785282948 /nfs/dbraw/zinc/28/29/48/785282948.db2.gz MDYCBYRNWCAXTO-STQMWFEESA-N 1 2 348.407 -1.134 20 30 EAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001267723932 785282940 /nfs/dbraw/zinc/28/29/40/785282940.db2.gz MDYCBYRNWCAXTO-STQMWFEESA-N 1 2 348.407 -1.134 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001267724039 785282627 /nfs/dbraw/zinc/28/26/27/785282627.db2.gz RBPURUDZUKHPMC-NSHDSACASA-N 1 2 330.410 -2.134 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001267724039 785282620 /nfs/dbraw/zinc/28/26/20/785282620.db2.gz RBPURUDZUKHPMC-NSHDSACASA-N 1 2 330.410 -2.134 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267725058 785282433 /nfs/dbraw/zinc/28/24/33/785282433.db2.gz FOZKBQSVDKNXMI-LBPRGKRZSA-N 1 2 331.376 -1.060 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267725058 785282425 /nfs/dbraw/zinc/28/24/25/785282425.db2.gz FOZKBQSVDKNXMI-LBPRGKRZSA-N 1 2 331.376 -1.060 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267725257 785281455 /nfs/dbraw/zinc/28/14/55/785281455.db2.gz KPAPBBSAPWKARB-NEPJUHHUSA-N 1 2 346.391 -1.514 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267725257 785281450 /nfs/dbraw/zinc/28/14/50/785281450.db2.gz KPAPBBSAPWKARB-NEPJUHHUSA-N 1 2 346.391 -1.514 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267725260 785282157 /nfs/dbraw/zinc/28/21/57/785282157.db2.gz KPAPBBSAPWKARB-RYUDHWBXSA-N 1 2 346.391 -1.514 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267725260 785282153 /nfs/dbraw/zinc/28/21/53/785282153.db2.gz KPAPBBSAPWKARB-RYUDHWBXSA-N 1 2 346.391 -1.514 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001267725803 785282055 /nfs/dbraw/zinc/28/20/55/785282055.db2.gz DGWRSNNGGXFFII-NSHDSACASA-N 1 2 327.348 -1.094 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001267725803 785282053 /nfs/dbraw/zinc/28/20/53/785282053.db2.gz DGWRSNNGGXFFII-NSHDSACASA-N 1 2 327.348 -1.094 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001267726516 785282347 /nfs/dbraw/zinc/28/23/47/785282347.db2.gz MAFRWUJZOBAHDT-VIFPVBQESA-N 1 2 328.336 -1.203 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001267726516 785282338 /nfs/dbraw/zinc/28/23/38/785282338.db2.gz MAFRWUJZOBAHDT-VIFPVBQESA-N 1 2 328.336 -1.203 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001267726569 785281474 /nfs/dbraw/zinc/28/14/74/785281474.db2.gz ODFAWIYHAAURFN-OLZOCXBDSA-N 1 2 335.408 -1.283 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001267726569 785281468 /nfs/dbraw/zinc/28/14/68/785281468.db2.gz ODFAWIYHAAURFN-OLZOCXBDSA-N 1 2 335.408 -1.283 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001267726570 785282213 /nfs/dbraw/zinc/28/22/13/785282213.db2.gz ODFAWIYHAAURFN-STQMWFEESA-N 1 2 335.408 -1.283 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001267726570 785282210 /nfs/dbraw/zinc/28/22/10/785282210.db2.gz ODFAWIYHAAURFN-STQMWFEESA-N 1 2 335.408 -1.283 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267726833 785281351 /nfs/dbraw/zinc/28/13/51/785281351.db2.gz DSKXFJDSYXZPOD-AAEUAGOBSA-N 1 2 346.391 -1.142 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267726833 785281345 /nfs/dbraw/zinc/28/13/45/785281345.db2.gz DSKXFJDSYXZPOD-AAEUAGOBSA-N 1 2 346.391 -1.142 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267730265 785281787 /nfs/dbraw/zinc/28/17/87/785281787.db2.gz LPIBDMKQWPIRNM-JTQLQIEISA-N 1 2 337.380 -1.546 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001267730265 785281781 /nfs/dbraw/zinc/28/17/81/785281781.db2.gz LPIBDMKQWPIRNM-JTQLQIEISA-N 1 2 337.380 -1.546 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001267730870 785282402 /nfs/dbraw/zinc/28/24/02/785282402.db2.gz DRSAIQFZMXLUEL-JTQLQIEISA-N 1 2 335.368 -1.147 20 30 EAEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001267730870 785282393 /nfs/dbraw/zinc/28/23/93/785282393.db2.gz DRSAIQFZMXLUEL-JTQLQIEISA-N 1 2 335.368 -1.147 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001267731029 785281887 /nfs/dbraw/zinc/28/18/87/785281887.db2.gz KYQQJAJYYBOMDC-JTQLQIEISA-N 1 2 349.347 -2.653 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001267731029 785281880 /nfs/dbraw/zinc/28/18/80/785281880.db2.gz KYQQJAJYYBOMDC-JTQLQIEISA-N 1 2 349.347 -2.653 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001267731210 785282604 /nfs/dbraw/zinc/28/26/04/785282604.db2.gz TVNCEHUQCMKJBQ-NSHDSACASA-N 1 2 347.441 -2.125 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001267731210 785282598 /nfs/dbraw/zinc/28/25/98/785282598.db2.gz TVNCEHUQCMKJBQ-NSHDSACASA-N 1 2 347.441 -2.125 20 30 EAEDLO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267731226 785282141 /nfs/dbraw/zinc/28/21/41/785282141.db2.gz UESYEVVRWZCBBL-JTQLQIEISA-N 1 2 345.425 -1.856 20 30 EAEDLO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267731226 785282136 /nfs/dbraw/zinc/28/21/36/785282136.db2.gz UESYEVVRWZCBBL-JTQLQIEISA-N 1 2 345.425 -1.856 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001267732959 785281209 /nfs/dbraw/zinc/28/12/09/785281209.db2.gz WWXJYTGTHCKZGP-ZDUSSCGKSA-N 1 2 331.376 -1.427 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001267732959 785281205 /nfs/dbraw/zinc/28/12/05/785281205.db2.gz WWXJYTGTHCKZGP-ZDUSSCGKSA-N 1 2 331.376 -1.427 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001267732963 785282302 /nfs/dbraw/zinc/28/23/02/785282302.db2.gz WZCFYSDSYYMRLM-LBPRGKRZSA-N 1 2 332.364 -1.536 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001267732963 785282297 /nfs/dbraw/zinc/28/22/97/785282297.db2.gz WZCFYSDSYYMRLM-LBPRGKRZSA-N 1 2 332.364 -1.536 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001267733760 785282275 /nfs/dbraw/zinc/28/22/75/785282275.db2.gz CAQDWVQWBYTSMU-LBPRGKRZSA-N 1 2 336.396 -1.617 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001267733760 785282268 /nfs/dbraw/zinc/28/22/68/785282268.db2.gz CAQDWVQWBYTSMU-LBPRGKRZSA-N 1 2 336.396 -1.617 20 30 EAEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CS(=O)(=O)NC)C2)C1=O ZINC001267734789 785283278 /nfs/dbraw/zinc/28/32/78/785283278.db2.gz ZHFJKBMYYUDDFV-NWDGAFQWSA-N 1 2 344.437 -1.487 20 30 EAEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CS(=O)(=O)NC)C2)C1=O ZINC001267734789 785283271 /nfs/dbraw/zinc/28/32/71/785283271.db2.gz ZHFJKBMYYUDDFV-NWDGAFQWSA-N 1 2 344.437 -1.487 20 30 EAEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CS(=O)(=O)NC)C2)C1=O ZINC001267734790 785283861 /nfs/dbraw/zinc/28/38/61/785283861.db2.gz ZHFJKBMYYUDDFV-RYUDHWBXSA-N 1 2 344.437 -1.487 20 30 EAEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CS(=O)(=O)NC)C2)C1=O ZINC001267734790 785283856 /nfs/dbraw/zinc/28/38/56/785283856.db2.gz ZHFJKBMYYUDDFV-RYUDHWBXSA-N 1 2 344.437 -1.487 20 30 EAEDLO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267735195 785283748 /nfs/dbraw/zinc/28/37/48/785283748.db2.gz OHHIROVSMWPNFV-NSHDSACASA-N 1 2 345.425 -1.902 20 30 EAEDLO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267735195 785283742 /nfs/dbraw/zinc/28/37/42/785283742.db2.gz OHHIROVSMWPNFV-NSHDSACASA-N 1 2 345.425 -1.902 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001267735393 785283949 /nfs/dbraw/zinc/28/39/49/785283949.db2.gz UDCOCIDBTMKCNS-OLZOCXBDSA-N 1 2 330.392 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ZINC001267741596 785283390 /nfs/dbraw/zinc/28/33/90/785283390.db2.gz FROBOCALUKCFMV-NWDGAFQWSA-N 1 2 344.437 -1.746 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267741596 785283381 /nfs/dbraw/zinc/28/33/81/785283381.db2.gz FROBOCALUKCFMV-NWDGAFQWSA-N 1 2 344.437 -1.746 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267741597 785284046 /nfs/dbraw/zinc/28/40/46/785284046.db2.gz FROBOCALUKCFMV-VXGBXAGGSA-N 1 2 344.437 -1.746 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267741597 785284040 /nfs/dbraw/zinc/28/40/40/785284040.db2.gz FROBOCALUKCFMV-VXGBXAGGSA-N 1 2 344.437 -1.746 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001267741892 785284785 /nfs/dbraw/zinc/28/47/85/785284785.db2.gz QMAGNYMNBHHRMA-CYBMUJFWSA-N 1 2 336.392 -1.825 20 30 EAEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001267741892 785284780 /nfs/dbraw/zinc/28/47/80/785284780.db2.gz QMAGNYMNBHHRMA-CYBMUJFWSA-N 1 2 336.392 -1.825 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001267741917 785283471 /nfs/dbraw/zinc/28/34/71/785283471.db2.gz RTTJPFQCTZUMTG-CYBMUJFWSA-N 1 2 344.375 -1.358 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001267741917 785283462 /nfs/dbraw/zinc/28/34/62/785283462.db2.gz RTTJPFQCTZUMTG-CYBMUJFWSA-N 1 2 344.375 -1.358 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001267743024 785286461 /nfs/dbraw/zinc/28/64/61/785286461.db2.gz IPDBSRIFEVZBMQ-SNVBAGLBSA-N 1 2 340.384 -1.882 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001267743024 785286455 /nfs/dbraw/zinc/28/64/55/785286455.db2.gz IPDBSRIFEVZBMQ-SNVBAGLBSA-N 1 2 340.384 -1.882 20 30 EAEDLO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267743417 785286162 /nfs/dbraw/zinc/28/61/62/785286162.db2.gz TVKVUUCYROVXQG-LLVKDONJSA-N 1 2 325.369 -2.079 20 30 EAEDLO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267743417 785286156 /nfs/dbraw/zinc/28/61/56/785286156.db2.gz TVKVUUCYROVXQG-LLVKDONJSA-N 1 2 325.369 -2.079 20 30 EAEDLO Cn1nccc1COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267744302 785286370 /nfs/dbraw/zinc/28/63/70/785286370.db2.gz MTLNXSSLGTXOQC-GFCCVEGCSA-N 1 2 334.380 -1.233 20 30 EAEDLO Cn1nccc1COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267744302 785286366 /nfs/dbraw/zinc/28/63/66/785286366.db2.gz MTLNXSSLGTXOQC-GFCCVEGCSA-N 1 2 334.380 -1.233 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267744865 785285334 /nfs/dbraw/zinc/28/53/34/785285334.db2.gz NSDZGFFNVAWOBH-LLVKDONJSA-N 1 2 335.364 -1.644 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267744865 785285327 /nfs/dbraw/zinc/28/53/27/785285327.db2.gz NSDZGFFNVAWOBH-LLVKDONJSA-N 1 2 335.364 -1.644 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001267744935 785286859 /nfs/dbraw/zinc/28/68/59/785286859.db2.gz BKYAREOKUUDDHL-GFCCVEGCSA-N 1 2 331.376 -1.033 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001267744935 785286854 /nfs/dbraw/zinc/28/68/54/785286854.db2.gz BKYAREOKUUDDHL-GFCCVEGCSA-N 1 2 331.376 -1.033 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267745049 785285669 /nfs/dbraw/zinc/28/56/69/785285669.db2.gz SLLLLVILEAYQHC-GFCCVEGCSA-N 1 2 334.376 -1.535 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267745049 785285662 /nfs/dbraw/zinc/28/56/62/785285662.db2.gz SLLLLVILEAYQHC-GFCCVEGCSA-N 1 2 334.376 -1.535 20 30 EAEDLO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)CC2 ZINC001267748040 785287381 /nfs/dbraw/zinc/28/73/81/785287381.db2.gz MPNWVAVREOUJFN-NWDGAFQWSA-N 1 2 345.407 -1.250 20 30 EAEDLO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)CC2 ZINC001267748040 785287376 /nfs/dbraw/zinc/28/73/76/785287376.db2.gz MPNWVAVREOUJFN-NWDGAFQWSA-N 1 2 345.407 -1.250 20 30 EAEDLO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)CC2 ZINC001267748041 785288311 /nfs/dbraw/zinc/28/83/11/785288311.db2.gz MPNWVAVREOUJFN-VXGBXAGGSA-N 1 2 345.407 -1.250 20 30 EAEDLO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)CC2 ZINC001267748041 785288303 /nfs/dbraw/zinc/28/83/03/785288303.db2.gz MPNWVAVREOUJFN-VXGBXAGGSA-N 1 2 345.407 -1.250 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001267748112 785288391 /nfs/dbraw/zinc/28/83/91/785288391.db2.gz PLKIFVZQPRWFEN-NXEZZACHSA-N 1 2 338.368 -2.130 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001267748112 785288388 /nfs/dbraw/zinc/28/83/88/785288388.db2.gz PLKIFVZQPRWFEN-NXEZZACHSA-N 1 2 338.368 -2.130 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267748114 785288436 /nfs/dbraw/zinc/28/84/36/785288436.db2.gz PLKIFVZQPRWFEN-ZJUUUORDSA-N 1 2 338.368 -2.130 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267748114 785288433 /nfs/dbraw/zinc/28/84/33/785288433.db2.gz PLKIFVZQPRWFEN-ZJUUUORDSA-N 1 2 338.368 -2.130 20 30 EAEDLO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267749275 785288009 /nfs/dbraw/zinc/28/80/09/785288009.db2.gz FQWYLTJDQOFKGU-LLVKDONJSA-N 1 2 334.384 -1.373 20 30 EAEDLO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267749275 785288005 /nfs/dbraw/zinc/28/80/05/785288005.db2.gz FQWYLTJDQOFKGU-LLVKDONJSA-N 1 2 334.384 -1.373 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)nn1 ZINC001267749563 785287476 /nfs/dbraw/zinc/28/74/76/785287476.db2.gz KPGNAARSXJCUFZ-LLVKDONJSA-N 1 2 342.425 -1.183 20 30 EAEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)nn1 ZINC001267749563 785287471 /nfs/dbraw/zinc/28/74/71/785287471.db2.gz KPGNAARSXJCUFZ-LLVKDONJSA-N 1 2 342.425 -1.183 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001267750424 785287834 /nfs/dbraw/zinc/28/78/34/785287834.db2.gz DLJUZSODKRHTBX-LLVKDONJSA-N 1 2 342.359 -1.012 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001267750424 785287831 /nfs/dbraw/zinc/28/78/31/785287831.db2.gz DLJUZSODKRHTBX-LLVKDONJSA-N 1 2 342.359 -1.012 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267750528 785288343 /nfs/dbraw/zinc/28/83/43/785288343.db2.gz IKDPRZVLHARKLH-LLVKDONJSA-N 1 2 335.364 -2.132 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267750528 785288338 /nfs/dbraw/zinc/28/83/38/785288338.db2.gz IKDPRZVLHARKLH-LLVKDONJSA-N 1 2 335.364 -2.132 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267750637 785288217 /nfs/dbraw/zinc/28/82/17/785288217.db2.gz JZBRQWSHNHCDIT-LLVKDONJSA-N 1 2 337.380 -1.579 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267750637 785288215 /nfs/dbraw/zinc/28/82/15/785288215.db2.gz JZBRQWSHNHCDIT-LLVKDONJSA-N 1 2 337.380 -1.579 20 30 EAEDLO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n1 ZINC001267751342 785288369 /nfs/dbraw/zinc/28/83/69/785288369.db2.gz VGDDVMWAPIUEJX-CYBMUJFWSA-N 1 2 346.391 -1.310 20 30 EAEDLO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n1 ZINC001267751342 785288366 /nfs/dbraw/zinc/28/83/66/785288366.db2.gz VGDDVMWAPIUEJX-CYBMUJFWSA-N 1 2 346.391 -1.310 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001267751393 785288625 /nfs/dbraw/zinc/28/86/25/785288625.db2.gz XAKMILYLMHNZLK-GFCCVEGCSA-N 1 2 336.396 -1.176 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001267751393 785288620 /nfs/dbraw/zinc/28/86/20/785288620.db2.gz XAKMILYLMHNZLK-GFCCVEGCSA-N 1 2 336.396 -1.176 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001267754169 785289234 /nfs/dbraw/zinc/28/92/34/785289234.db2.gz BYRLSKHADAECHZ-LLVKDONJSA-N 1 2 342.363 -1.503 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001267754169 785289229 /nfs/dbraw/zinc/28/92/29/785289229.db2.gz BYRLSKHADAECHZ-LLVKDONJSA-N 1 2 342.363 -1.503 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267754760 785290090 /nfs/dbraw/zinc/29/00/90/785290090.db2.gz UVZLCSPPINRQRU-GHMZBOCLSA-N 1 2 330.410 -1.829 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267754760 785290082 /nfs/dbraw/zinc/29/00/82/785290082.db2.gz UVZLCSPPINRQRU-GHMZBOCLSA-N 1 2 330.410 -1.829 20 30 EAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267754762 785289248 /nfs/dbraw/zinc/28/92/48/785289248.db2.gz UVZLCSPPINRQRU-MNOVXSKESA-N 1 2 330.410 -1.829 20 30 EAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267754762 785289246 /nfs/dbraw/zinc/28/92/46/785289246.db2.gz UVZLCSPPINRQRU-MNOVXSKESA-N 1 2 330.410 -1.829 20 30 EAEDLO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267762375 785289731 /nfs/dbraw/zinc/28/97/31/785289731.db2.gz GLVOYHCSMDFXOW-GFCCVEGCSA-N 1 2 339.396 -1.736 20 30 EAEDLO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267762375 785289727 /nfs/dbraw/zinc/28/97/27/785289727.db2.gz GLVOYHCSMDFXOW-GFCCVEGCSA-N 1 2 339.396 -1.736 20 30 EAEDLO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267762394 785289914 /nfs/dbraw/zinc/28/99/14/785289914.db2.gz GLVOYHCSMDFXOW-LBPRGKRZSA-N 1 2 339.396 -1.736 20 30 EAEDLO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267762394 785289908 /nfs/dbraw/zinc/28/99/08/785289908.db2.gz GLVOYHCSMDFXOW-LBPRGKRZSA-N 1 2 339.396 -1.736 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767051 785290059 /nfs/dbraw/zinc/29/00/59/785290059.db2.gz CGVQAPQRDHGQTK-JTQLQIEISA-N 1 2 346.413 -2.787 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767051 785290054 /nfs/dbraw/zinc/29/00/54/785290054.db2.gz CGVQAPQRDHGQTK-JTQLQIEISA-N 1 2 346.413 -2.787 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767052 785289368 /nfs/dbraw/zinc/28/93/68/785289368.db2.gz CGVQAPQRDHGQTK-SNVBAGLBSA-N 1 2 346.413 -2.787 20 30 EAEDLO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767052 785289361 /nfs/dbraw/zinc/28/93/61/785289361.db2.gz CGVQAPQRDHGQTK-SNVBAGLBSA-N 1 2 346.413 -2.787 20 30 EAEDLO CC(C)c1nnnn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267773251 785291380 /nfs/dbraw/zinc/29/13/80/785291380.db2.gz KNJYJNWIMSFIQL-GFCCVEGCSA-N 1 2 348.411 -1.031 20 30 EAEDLO CC(C)c1nnnn1CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267773251 785291376 /nfs/dbraw/zinc/29/13/76/785291376.db2.gz KNJYJNWIMSFIQL-GFCCVEGCSA-N 1 2 348.411 -1.031 20 30 EAEDLO CC(C)c1nnnn1CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267773255 785290862 /nfs/dbraw/zinc/29/08/62/785290862.db2.gz KNJYJNWIMSFIQL-LBPRGKRZSA-N 1 2 348.411 -1.031 20 30 EAEDLO CC(C)c1nnnn1CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267773255 785290858 /nfs/dbraw/zinc/29/08/58/785290858.db2.gz KNJYJNWIMSFIQL-LBPRGKRZSA-N 1 2 348.411 -1.031 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001267774473 785292119 /nfs/dbraw/zinc/29/21/19/785292119.db2.gz IVDKRJARQALTTK-JTQLQIEISA-N 1 2 335.368 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001267774473 785292113 /nfs/dbraw/zinc/29/21/13/785292113.db2.gz IVDKRJARQALTTK-JTQLQIEISA-N 1 2 335.368 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001267774476 785292266 /nfs/dbraw/zinc/29/22/66/785292266.db2.gz IVDKRJARQALTTK-SNVBAGLBSA-N 1 2 335.368 -1.037 20 30 EAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001267774476 785292262 /nfs/dbraw/zinc/29/22/62/785292262.db2.gz IVDKRJARQALTTK-SNVBAGLBSA-N 1 2 335.368 -1.037 20 30 EAEDLO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001267777811 785292400 /nfs/dbraw/zinc/29/24/00/785292400.db2.gz UGVNCWPYYNKRAA-GFCCVEGCSA-N 1 2 349.395 -1.937 20 30 EAEDLO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001267777811 785292394 /nfs/dbraw/zinc/29/23/94/785292394.db2.gz UGVNCWPYYNKRAA-GFCCVEGCSA-N 1 2 349.395 -1.937 20 30 EAEDLO Cc1nn(CC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001267777816 785292177 /nfs/dbraw/zinc/29/21/77/785292177.db2.gz UGVNCWPYYNKRAA-LBPRGKRZSA-N 1 2 349.395 -1.937 20 30 EAEDLO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)n1C ZINC001267777816 785292170 /nfs/dbraw/zinc/29/21/70/785292170.db2.gz UGVNCWPYYNKRAA-LBPRGKRZSA-N 1 2 349.395 -1.937 20 30 EAEDLO CN(C(=O)CCc1cn(C)nn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267778824 785291394 /nfs/dbraw/zinc/29/13/94/785291394.db2.gz HZBFBPIDKYOZQE-CYBMUJFWSA-N 1 2 333.396 -1.080 20 30 EAEDLO CN(C(=O)CCc1cn(C)nn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267778824 785291388 /nfs/dbraw/zinc/29/13/88/785291388.db2.gz HZBFBPIDKYOZQE-CYBMUJFWSA-N 1 2 333.396 -1.080 20 30 EAEDLO CN(C(=O)CCc1cn(C)nn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267778825 785291843 /nfs/dbraw/zinc/29/18/43/785291843.db2.gz HZBFBPIDKYOZQE-ZDUSSCGKSA-N 1 2 333.396 -1.080 20 30 EAEDLO CN(C(=O)CCc1cn(C)nn1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267778825 785291837 /nfs/dbraw/zinc/29/18/37/785291837.db2.gz HZBFBPIDKYOZQE-ZDUSSCGKSA-N 1 2 333.396 -1.080 20 30 EAEDLO CN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267779320 785291488 /nfs/dbraw/zinc/29/14/88/785291488.db2.gz QEXBGNFJFPGEBZ-GFCCVEGCSA-N 1 2 344.375 -1.033 20 30 EAEDLO CN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267779320 785291483 /nfs/dbraw/zinc/29/14/83/785291483.db2.gz QEXBGNFJFPGEBZ-GFCCVEGCSA-N 1 2 344.375 -1.033 20 30 EAEDLO CN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267779321 785292144 /nfs/dbraw/zinc/29/21/44/785292144.db2.gz QEXBGNFJFPGEBZ-LBPRGKRZSA-N 1 2 344.375 -1.033 20 30 EAEDLO CN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267779321 785292140 /nfs/dbraw/zinc/29/21/40/785292140.db2.gz 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CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788270 785294121 /nfs/dbraw/zinc/29/41/21/785294121.db2.gz UCVMCHILLYQHOK-NEPJUHHUSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788271 785293626 /nfs/dbraw/zinc/29/36/26/785293626.db2.gz UCVMCHILLYQHOK-NWDGAFQWSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788271 785293622 /nfs/dbraw/zinc/29/36/22/785293622.db2.gz UCVMCHILLYQHOK-NWDGAFQWSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788272 785292915 /nfs/dbraw/zinc/29/29/15/785292915.db2.gz UCVMCHILLYQHOK-RYUDHWBXSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788272 785292910 /nfs/dbraw/zinc/29/29/10/785292910.db2.gz UCVMCHILLYQHOK-RYUDHWBXSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788273 785293143 /nfs/dbraw/zinc/29/31/43/785293143.db2.gz UCVMCHILLYQHOK-VXGBXAGGSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788273 785293139 /nfs/dbraw/zinc/29/31/39/785293139.db2.gz UCVMCHILLYQHOK-VXGBXAGGSA-N 1 2 336.396 -1.427 20 30 EAEDLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788695 785293399 /nfs/dbraw/zinc/29/33/99/785293399.db2.gz CKIZWWHWMQXLBV-LLVKDONJSA-N 1 2 332.364 -1.054 20 30 EAEDLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788695 785293398 /nfs/dbraw/zinc/29/33/98/785293398.db2.gz CKIZWWHWMQXLBV-LLVKDONJSA-N 1 2 332.364 -1.054 20 30 EAEDLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788696 785293829 /nfs/dbraw/zinc/29/38/29/785293829.db2.gz CKIZWWHWMQXLBV-NSHDSACASA-N 1 2 332.364 -1.054 20 30 EAEDLO CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788696 785293823 /nfs/dbraw/zinc/29/38/23/785293823.db2.gz 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C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001268024392 785358022 /nfs/dbraw/zinc/35/80/22/785358022.db2.gz DREMYNULJVJPCV-AWEZNQCLSA-N 1 2 341.408 -1.135 20 30 EAEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001268024393 785357631 /nfs/dbraw/zinc/35/76/31/785357631.db2.gz DREMYNULJVJPCV-CQSZACIVSA-N 1 2 341.408 -1.135 20 30 EAEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001268024393 785357623 /nfs/dbraw/zinc/35/76/23/785357623.db2.gz DREMYNULJVJPCV-CQSZACIVSA-N 1 2 341.408 -1.135 20 30 EAEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001268024520 785357594 /nfs/dbraw/zinc/35/75/94/785357594.db2.gz HIGVMWOFZHOKTN-NEPJUHHUSA-N 1 2 340.380 -1.396 20 30 EAEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001268024520 785357587 /nfs/dbraw/zinc/35/75/87/785357587.db2.gz HIGVMWOFZHOKTN-NEPJUHHUSA-N 1 2 340.380 -1.396 20 30 EAEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001268024521 785358479 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EAEDLO Cn1[nH]c(C[N@@H+]2CC[C@@](O)(CNC(=O)CSCC#N)C2)nc1=O ZINC001278761581 794700930 /nfs/dbraw/zinc/70/09/30/794700930.db2.gz WHSVIWDIEWBAIC-CYBMUJFWSA-N 1 2 340.409 -1.582 20 30 EAEDLO Cn1[nH]c(C[N@H+]2CC[C@](O)(CNC(=O)CSCC#N)C2)nc1=O ZINC001278761582 794700197 /nfs/dbraw/zinc/70/01/97/794700197.db2.gz WHSVIWDIEWBAIC-ZDUSSCGKSA-N 1 2 340.409 -1.582 20 30 EAEDLO Cn1[nH]c(C[N@@H+]2CC[C@](O)(CNC(=O)CSCC#N)C2)nc1=O ZINC001278761582 794700193 /nfs/dbraw/zinc/70/01/93/794700193.db2.gz WHSVIWDIEWBAIC-ZDUSSCGKSA-N 1 2 340.409 -1.582 20 30 EAEDLO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001278761828 794705245 /nfs/dbraw/zinc/70/52/45/794705245.db2.gz YCTXKHPFZCKARI-HNNXBMFYSA-N 1 2 334.380 -1.465 20 30 EAEDLO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001278761828 794705241 /nfs/dbraw/zinc/70/52/41/794705241.db2.gz YCTXKHPFZCKARI-HNNXBMFYSA-N 1 2 334.380 -1.465 20 30 EAEDLO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001278761831 794704807 /nfs/dbraw/zinc/70/48/07/794704807.db2.gz YCTXKHPFZCKARI-OAHLLOKOSA-N 1 2 334.380 -1.465 20 30 EAEDLO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001278761831 794704800 /nfs/dbraw/zinc/70/48/00/794704800.db2.gz YCTXKHPFZCKARI-OAHLLOKOSA-N 1 2 334.380 -1.465 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncccc2O)C1 ZINC001278771014 794707376 /nfs/dbraw/zinc/70/73/76/794707376.db2.gz HXBLEYHGCWRODS-HNNXBMFYSA-N 1 2 333.348 -1.406 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncccc2O)C1 ZINC001278771014 794707370 /nfs/dbraw/zinc/70/73/70/794707370.db2.gz HXBLEYHGCWRODS-HNNXBMFYSA-N 1 2 333.348 -1.406 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccc2O)C1 ZINC001278771015 794707530 /nfs/dbraw/zinc/70/75/30/794707530.db2.gz HXBLEYHGCWRODS-OAHLLOKOSA-N 1 2 333.348 -1.406 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccc2O)C1 ZINC001278771015 794707527 /nfs/dbraw/zinc/70/75/27/794707527.db2.gz HXBLEYHGCWRODS-OAHLLOKOSA-N 1 2 333.348 -1.406 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001278771190 794707631 /nfs/dbraw/zinc/70/76/31/794707631.db2.gz LTYYEMULCOYLNV-HNNXBMFYSA-N 1 2 334.380 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001278771190 794707630 /nfs/dbraw/zinc/70/76/30/794707630.db2.gz LTYYEMULCOYLNV-HNNXBMFYSA-N 1 2 334.380 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001278771191 794707186 /nfs/dbraw/zinc/70/71/86/794707186.db2.gz LTYYEMULCOYLNV-OAHLLOKOSA-N 1 2 334.380 -1.960 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001278771191 794707176 /nfs/dbraw/zinc/70/71/76/794707176.db2.gz LTYYEMULCOYLNV-OAHLLOKOSA-N 1 2 334.380 -1.960 20 30 EAEDLO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771625 794708226 /nfs/dbraw/zinc/70/82/26/794708226.db2.gz QLOSZRJWZKGBSC-BXUZGUMPSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771625 794708221 /nfs/dbraw/zinc/70/82/21/794708221.db2.gz QLOSZRJWZKGBSC-BXUZGUMPSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771626 794707785 /nfs/dbraw/zinc/70/77/85/794707785.db2.gz QLOSZRJWZKGBSC-FZMZJTMJSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771626 794707780 /nfs/dbraw/zinc/70/77/80/794707780.db2.gz QLOSZRJWZKGBSC-FZMZJTMJSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771627 794708208 /nfs/dbraw/zinc/70/82/08/794708208.db2.gz QLOSZRJWZKGBSC-RISCZKNCSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771627 794708203 /nfs/dbraw/zinc/70/82/03/794708203.db2.gz QLOSZRJWZKGBSC-RISCZKNCSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771629 794707024 /nfs/dbraw/zinc/70/70/24/794707024.db2.gz QLOSZRJWZKGBSC-SMDDNHRTSA-N 1 2 335.368 -1.968 20 30 EAEDLO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1)n1cncn1 ZINC001278771629 794707018 /nfs/dbraw/zinc/70/70/18/794707018.db2.gz QLOSZRJWZKGBSC-SMDDNHRTSA-N 1 2 335.368 -1.968 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001278776089 794708778 /nfs/dbraw/zinc/70/87/78/794708778.db2.gz CZEUCIQQPVNPBY-BBRMVZONSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001278776089 794708774 /nfs/dbraw/zinc/70/87/74/794708774.db2.gz CZEUCIQQPVNPBY-BBRMVZONSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001278776090 794709295 /nfs/dbraw/zinc/70/92/95/794709295.db2.gz CZEUCIQQPVNPBY-CJNGLKHVSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001278776090 794709292 /nfs/dbraw/zinc/70/92/92/794709292.db2.gz CZEUCIQQPVNPBY-CJNGLKHVSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001278776091 794708968 /nfs/dbraw/zinc/70/89/68/794708968.db2.gz CZEUCIQQPVNPBY-CZUORRHYSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001278776091 794708962 /nfs/dbraw/zinc/70/89/62/794708962.db2.gz CZEUCIQQPVNPBY-CZUORRHYSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001278776092 794709628 /nfs/dbraw/zinc/70/96/28/794709628.db2.gz CZEUCIQQPVNPBY-XJKSGUPXSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001278776092 794709623 /nfs/dbraw/zinc/70/96/23/794709623.db2.gz CZEUCIQQPVNPBY-XJKSGUPXSA-N 1 2 338.408 -1.004 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001278776135 794708997 /nfs/dbraw/zinc/70/89/97/794708997.db2.gz DOLVSRRAZYWIIB-DOMZBBRYSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001278776135 794708992 /nfs/dbraw/zinc/70/89/92/794708992.db2.gz DOLVSRRAZYWIIB-DOMZBBRYSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001278776136 794709183 /nfs/dbraw/zinc/70/91/83/794709183.db2.gz DOLVSRRAZYWIIB-IUODEOHRSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001278776136 794709180 /nfs/dbraw/zinc/70/91/80/794709180.db2.gz DOLVSRRAZYWIIB-IUODEOHRSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001278776137 794709892 /nfs/dbraw/zinc/70/98/92/794709892.db2.gz DOLVSRRAZYWIIB-SWLSCSKDSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001278776137 794709886 /nfs/dbraw/zinc/70/98/86/794709886.db2.gz DOLVSRRAZYWIIB-SWLSCSKDSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001278776138 794709796 /nfs/dbraw/zinc/70/97/96/794709796.db2.gz DOLVSRRAZYWIIB-WFASDCNBSA-N 1 2 340.380 -2.015 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001278776138 794709789 /nfs/dbraw/zinc/70/97/89/794709789.db2.gz DOLVSRRAZYWIIB-WFASDCNBSA-N 1 2 340.380 -2.015 20 30 EAEDLO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001278782153 794710953 /nfs/dbraw/zinc/71/09/53/794710953.db2.gz RRLVLFHKIHCAQK-INIZCTEOSA-N 1 2 348.407 -1.362 20 30 EAEDLO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001278782153 794710951 /nfs/dbraw/zinc/71/09/51/794710951.db2.gz RRLVLFHKIHCAQK-INIZCTEOSA-N 1 2 348.407 -1.362 20 30 EAEDLO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001278782154 794710961 /nfs/dbraw/zinc/71/09/61/794710961.db2.gz RRLVLFHKIHCAQK-MRXNPFEDSA-N 1 2 348.407 -1.362 20 30 EAEDLO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001278782154 794710960 /nfs/dbraw/zinc/71/09/60/794710960.db2.gz RRLVLFHKIHCAQK-MRXNPFEDSA-N 1 2 348.407 -1.362 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001278786364 794711722 /nfs/dbraw/zinc/71/17/22/794711722.db2.gz AXTUYXNQEOHVHK-PBFPGSCMSA-N 1 2 345.403 -1.184 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001278786364 794711717 /nfs/dbraw/zinc/71/17/17/794711717.db2.gz AXTUYXNQEOHVHK-PBFPGSCMSA-N 1 2 345.403 -1.184 20 30 EAEDLO C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001278786365 794711907 /nfs/dbraw/zinc/71/19/07/794711907.db2.gz AXTUYXNQEOHVHK-XNJGSVPQSA-N 1 2 345.403 -1.184 20 30 EAEDLO C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001278786365 794711903 /nfs/dbraw/zinc/71/19/03/794711903.db2.gz AXTUYXNQEOHVHK-XNJGSVPQSA-N 1 2 345.403 -1.184 20 30 EAEDLO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)o1 ZINC001278786724 794712580 /nfs/dbraw/zinc/71/25/80/794712580.db2.gz HEGJGAAQMDVWNV-HNNXBMFYSA-N 1 2 335.364 -1.282 20 30 EAEDLO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)o1 ZINC001278786724 794712577 /nfs/dbraw/zinc/71/25/77/794712577.db2.gz HEGJGAAQMDVWNV-HNNXBMFYSA-N 1 2 335.364 -1.282 20 30 EAEDLO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)o1 ZINC001278786725 794712124 /nfs/dbraw/zinc/71/21/24/794712124.db2.gz HEGJGAAQMDVWNV-OAHLLOKOSA-N 1 2 335.364 -1.282 20 30 EAEDLO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)o1 ZINC001278786725 794712122 /nfs/dbraw/zinc/71/21/22/794712122.db2.gz HEGJGAAQMDVWNV-OAHLLOKOSA-N 1 2 335.364 -1.282 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001278786736 794711770 /nfs/dbraw/zinc/71/17/70/794711770.db2.gz HGLQRJFLRHLUSW-ABAIWWIYSA-N 1 2 337.380 -2.152 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001278786736 794711764 /nfs/dbraw/zinc/71/17/64/794711764.db2.gz HGLQRJFLRHLUSW-ABAIWWIYSA-N 1 2 337.380 -2.152 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001278786737 794712188 /nfs/dbraw/zinc/71/21/88/794712188.db2.gz HGLQRJFLRHLUSW-IAQYHMDHSA-N 1 2 337.380 -2.152 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001278786737 794712184 /nfs/dbraw/zinc/71/21/84/794712184.db2.gz HGLQRJFLRHLUSW-IAQYHMDHSA-N 1 2 337.380 -2.152 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001278786754 794712661 /nfs/dbraw/zinc/71/26/61/794712661.db2.gz HYEYKMLZSHRWEX-HNNXBMFYSA-N 1 2 348.363 -1.918 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001278786754 794712657 /nfs/dbraw/zinc/71/26/57/794712657.db2.gz HYEYKMLZSHRWEX-HNNXBMFYSA-N 1 2 348.363 -1.918 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001278786755 794711695 /nfs/dbraw/zinc/71/16/95/794711695.db2.gz HYEYKMLZSHRWEX-OAHLLOKOSA-N 1 2 348.363 -1.918 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001278786755 794711693 /nfs/dbraw/zinc/71/16/93/794711693.db2.gz HYEYKMLZSHRWEX-OAHLLOKOSA-N 1 2 348.363 -1.918 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278787928 794711645 /nfs/dbraw/zinc/71/16/45/794711645.db2.gz XWFHQWBPUOOAKX-ABAIWWIYSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278787928 794711640 /nfs/dbraw/zinc/71/16/40/794711640.db2.gz XWFHQWBPUOOAKX-ABAIWWIYSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278787929 794712703 /nfs/dbraw/zinc/71/27/03/794712703.db2.gz XWFHQWBPUOOAKX-IAQYHMDHSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001278787929 794712698 /nfs/dbraw/zinc/71/26/98/794712698.db2.gz XWFHQWBPUOOAKX-IAQYHMDHSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278787930 794712167 /nfs/dbraw/zinc/71/21/67/794712167.db2.gz XWFHQWBPUOOAKX-NHYWBVRUSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278787930 794712162 /nfs/dbraw/zinc/71/21/62/794712162.db2.gz XWFHQWBPUOOAKX-NHYWBVRUSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278787931 794712634 /nfs/dbraw/zinc/71/26/34/794712634.db2.gz XWFHQWBPUOOAKX-XHDPSFHLSA-N 1 2 337.380 -2.295 20 30 EAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001278787931 794712630 /nfs/dbraw/zinc/71/26/30/794712630.db2.gz XWFHQWBPUOOAKX-XHDPSFHLSA-N 1 2 337.380 -2.295 20 30 EAEDLO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)n1C ZINC001278800266 794715453 /nfs/dbraw/zinc/71/54/53/794715453.db2.gz LTHGAFSPROXDKQ-HNNXBMFYSA-N 1 2 334.380 -1.465 20 30 EAEDLO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)n1C ZINC001278800266 794715447 /nfs/dbraw/zinc/71/54/47/794715447.db2.gz LTHGAFSPROXDKQ-HNNXBMFYSA-N 1 2 334.380 -1.465 20 30 EAEDLO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)n1C ZINC001278800267 794715260 /nfs/dbraw/zinc/71/52/60/794715260.db2.gz LTHGAFSPROXDKQ-OAHLLOKOSA-N 1 2 334.380 -1.465 20 30 EAEDLO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)n1C ZINC001278800267 794715253 /nfs/dbraw/zinc/71/52/53/794715253.db2.gz LTHGAFSPROXDKQ-OAHLLOKOSA-N 1 2 334.380 -1.465 20 30 EAEDLO C#Cc1cncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001278805439 794717025 /nfs/dbraw/zinc/71/70/25/794717025.db2.gz LUYKBQAXJJXVPA-KRWDZBQOSA-N 1 2 341.371 -1.131 20 30 EAEDLO C#Cc1cncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001278805439 794717022 /nfs/dbraw/zinc/71/70/22/794717022.db2.gz LUYKBQAXJJXVPA-KRWDZBQOSA-N 1 2 341.371 -1.131 20 30 EAEDLO C#Cc1cncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001278805440 794716725 /nfs/dbraw/zinc/71/67/25/794716725.db2.gz LUYKBQAXJJXVPA-QGZVFWFLSA-N 1 2 341.371 -1.131 20 30 EAEDLO C#Cc1cncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001278805440 794716718 /nfs/dbraw/zinc/71/67/18/794716718.db2.gz LUYKBQAXJJXVPA-QGZVFWFLSA-N 1 2 341.371 -1.131 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)nn1 ZINC001278809572 794716355 /nfs/dbraw/zinc/71/63/55/794716355.db2.gz DXSVPDKQWGKFCW-HNNXBMFYSA-N 1 2 347.379 -1.730 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)nn1 ZINC001278809572 794716351 /nfs/dbraw/zinc/71/63/51/794716351.db2.gz DXSVPDKQWGKFCW-HNNXBMFYSA-N 1 2 347.379 -1.730 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)nn1 ZINC001278809575 794717110 /nfs/dbraw/zinc/71/71/10/794717110.db2.gz DXSVPDKQWGKFCW-OAHLLOKOSA-N 1 2 347.379 -1.730 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)nn1 ZINC001278809575 794717103 /nfs/dbraw/zinc/71/71/03/794717103.db2.gz DXSVPDKQWGKFCW-OAHLLOKOSA-N 1 2 347.379 -1.730 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001278810783 794718813 /nfs/dbraw/zinc/71/88/13/794718813.db2.gz OMGLDAAEPMHKND-HNNXBMFYSA-N 1 2 346.395 -1.041 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001278810783 794718807 /nfs/dbraw/zinc/71/88/07/794718807.db2.gz OMGLDAAEPMHKND-HNNXBMFYSA-N 1 2 346.395 -1.041 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001278810784 794718542 /nfs/dbraw/zinc/71/85/42/794718542.db2.gz OMGLDAAEPMHKND-OAHLLOKOSA-N 1 2 346.395 -1.041 20 30 EAEDLO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001278810784 794718536 /nfs/dbraw/zinc/71/85/36/794718536.db2.gz OMGLDAAEPMHKND-OAHLLOKOSA-N 1 2 346.395 -1.041 20 30 EAEDLO CNC(=O)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001278811401 794719136 /nfs/dbraw/zinc/71/91/36/794719136.db2.gz UGSNFLBUBJQWKK-AWEZNQCLSA-N 1 2 337.380 -2.295 20 30 EAEDLO CNC(=O)C1(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001278811401 794719132 /nfs/dbraw/zinc/71/91/32/794719132.db2.gz UGSNFLBUBJQWKK-AWEZNQCLSA-N 1 2 337.380 -2.295 20 30 EAEDLO CNC(=O)C1(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001278811402 794718884 /nfs/dbraw/zinc/71/88/84/794718884.db2.gz UGSNFLBUBJQWKK-CQSZACIVSA-N 1 2 337.380 -2.295 20 30 EAEDLO CNC(=O)C1(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001278811402 794718879 /nfs/dbraw/zinc/71/88/79/794718879.db2.gz UGSNFLBUBJQWKK-CQSZACIVSA-N 1 2 337.380 -2.295 20 30 EAEDLO CCc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278822568 794721737 /nfs/dbraw/zinc/72/17/37/794721737.db2.gz RXOARGCMGKLFJU-INIZCTEOSA-N 1 2 346.391 -1.155 20 30 EAEDLO CCc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278822568 794721734 /nfs/dbraw/zinc/72/17/34/794721734.db2.gz RXOARGCMGKLFJU-INIZCTEOSA-N 1 2 346.391 -1.155 20 30 EAEDLO CCc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001278822569 794722146 /nfs/dbraw/zinc/72/21/46/794722146.db2.gz RXOARGCMGKLFJU-MRXNPFEDSA-N 1 2 346.391 -1.155 20 30 EAEDLO CCc1ncncc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001278822569 794722142 /nfs/dbraw/zinc/72/21/42/794722142.db2.gz RXOARGCMGKLFJU-MRXNPFEDSA-N 1 2 346.391 -1.155 20 30 EAEDLO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826617 794722130 /nfs/dbraw/zinc/72/21/30/794722130.db2.gz AUGGGKYQVRJDMY-BLLLJJGKSA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826617 794722127 /nfs/dbraw/zinc/72/21/27/794722127.db2.gz AUGGGKYQVRJDMY-BLLLJJGKSA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826620 794722303 /nfs/dbraw/zinc/72/23/03/794722303.db2.gz AUGGGKYQVRJDMY-LRDDRELGSA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826620 794722298 /nfs/dbraw/zinc/72/22/98/794722298.db2.gz AUGGGKYQVRJDMY-LRDDRELGSA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826622 794721693 /nfs/dbraw/zinc/72/16/93/794721693.db2.gz AUGGGKYQVRJDMY-MLGOLLRUSA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826622 794721689 /nfs/dbraw/zinc/72/16/89/794721689.db2.gz AUGGGKYQVRJDMY-MLGOLLRUSA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826624 794721758 /nfs/dbraw/zinc/72/17/58/794721758.db2.gz AUGGGKYQVRJDMY-WBMJQRKESA-N 1 2 348.407 -1.284 20 30 EAEDLO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1)c1cnn(C)c1 ZINC001278826624 794721752 /nfs/dbraw/zinc/72/17/52/794721752.db2.gz AUGGGKYQVRJDMY-WBMJQRKESA-N 1 2 348.407 -1.284 20 30 EAEDLO Cc1cnn(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001278826927 794721322 /nfs/dbraw/zinc/72/13/22/794721322.db2.gz CAOJZYWGSKSTNR-INIZCTEOSA-N 1 2 348.407 -1.226 20 30 EAEDLO Cc1cnn(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001278826927 794721317 /nfs/dbraw/zinc/72/13/17/794721317.db2.gz CAOJZYWGSKSTNR-INIZCTEOSA-N 1 2 348.407 -1.226 20 30 EAEDLO Cc1cnn(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001278826930 794721717 /nfs/dbraw/zinc/72/17/17/794721717.db2.gz CAOJZYWGSKSTNR-MRXNPFEDSA-N 1 2 348.407 -1.226 20 30 EAEDLO Cc1cnn(CCC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001278826930 794721708 /nfs/dbraw/zinc/72/17/08/794721708.db2.gz CAOJZYWGSKSTNR-MRXNPFEDSA-N 1 2 348.407 -1.226 20 30 EAEDLO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001278832315 794722845 /nfs/dbraw/zinc/72/28/45/794722845.db2.gz JUOBMGMUFAIPLA-GFCCVEGCSA-N 1 2 344.375 -1.270 20 30 EAEDLO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001278832319 794722859 /nfs/dbraw/zinc/72/28/59/794722859.db2.gz JUOBMGMUFAIPLA-LBPRGKRZSA-N 1 2 344.375 -1.270 20 30 EAEDLO COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278859933 794728939 /nfs/dbraw/zinc/72/89/39/794728939.db2.gz LIWIADUVEPXHEZ-CYBMUJFWSA-N 1 2 332.422 -1.568 20 30 EAEDLO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278859933 794728934 /nfs/dbraw/zinc/72/89/34/794728934.db2.gz LIWIADUVEPXHEZ-CYBMUJFWSA-N 1 2 332.422 -1.568 20 30 EAEDLO COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278859934 794728338 /nfs/dbraw/zinc/72/83/38/794728338.db2.gz LIWIADUVEPXHEZ-ZDUSSCGKSA-N 1 2 332.422 -1.568 20 30 EAEDLO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278859934 794728333 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