smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824199622 607464401 /nfs/dbraw/zinc/46/44/01/607464401.db2.gz KEVOGQMEVITHSS-HNNXBMFYSA-N 0 3 359.434 1.103 20 50 FDGDHN CCC(CC)(CC)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825089341 607925070 /nfs/dbraw/zinc/92/50/70/607925070.db2.gz DLKQQJJXGQHMMW-UHFFFAOYSA-N 0 3 359.434 1.186 20 50 FDGDHN CC[N@@H+]1CCC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736564433 944843688 /nfs/dbraw/zinc/84/36/88/944843688.db2.gz BFYCHDWJFBHTRL-LBPRGKRZSA-N 0 3 357.418 1.079 20 50 FDGDHN CC[N@H+]1CCC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000736564433 944843695 /nfs/dbraw/zinc/84/36/95/944843695.db2.gz BFYCHDWJFBHTRL-LBPRGKRZSA-N 0 3 357.418 1.079 20 50 FDGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000823281807 606386533 /nfs/dbraw/zinc/38/65/33/606386533.db2.gz YFRIRCWXMUCSOO-UHFFFAOYSA-N 0 3 370.461 1.900 20 50 FDGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000823281807 606386534 /nfs/dbraw/zinc/38/65/34/606386534.db2.gz YFRIRCWXMUCSOO-UHFFFAOYSA-N 0 3 370.461 1.900 20 50 FDGDHN CC[NH+](CC)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736535266 944842017 /nfs/dbraw/zinc/84/20/17/944842017.db2.gz WDRRBQJUPXUOOJ-AAWHYMEISA-N 0 3 370.461 1.267 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212140 944990916 /nfs/dbraw/zinc/99/09/16/944990916.db2.gz HWYUZYZXGUSQDL-MWMICKBXSA-N 0 3 368.445 1.020 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212140 944990923 /nfs/dbraw/zinc/99/09/23/944990923.db2.gz HWYUZYZXGUSQDL-MWMICKBXSA-N 0 3 368.445 1.020 20 50 FDGDHN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824261157 607514451 /nfs/dbraw/zinc/51/44/51/607514451.db2.gz CNUPDFZMTHJWHT-AWEZNQCLSA-N 0 3 372.477 1.861 20 50 FDGDHN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824261157 607514453 /nfs/dbraw/zinc/51/44/53/607514453.db2.gz CNUPDFZMTHJWHT-AWEZNQCLSA-N 0 3 372.477 1.861 20 50 FDGDHN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824261157 607514455 /nfs/dbraw/zinc/51/44/55/607514455.db2.gz CNUPDFZMTHJWHT-AWEZNQCLSA-N 0 3 372.477 1.861 20 50 FDGDHN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824261157 607514456 /nfs/dbraw/zinc/51/44/56/607514456.db2.gz CNUPDFZMTHJWHT-AWEZNQCLSA-N 0 3 372.477 1.861 20 50 FDGDHN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1cc[nH+]cc1 ZINC000826340495 609172576 /nfs/dbraw/zinc/17/25/76/609172576.db2.gz AGNDNTUFGQVOJO-UHFFFAOYSA-N 0 3 350.342 1.133 20 50 FDGDHN CCC[NH+](CCC)CCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736472987 944830798 /nfs/dbraw/zinc/83/07/98/944830798.db2.gz FSICXPNZFFOWOJ-UHFFFAOYSA-N 0 3 373.461 1.530 20 50 FDGDHN CCC[NH+](CCC)CCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736472987 944830804 /nfs/dbraw/zinc/83/08/04/944830804.db2.gz FSICXPNZFFOWOJ-UHFFFAOYSA-N 0 3 373.461 1.530 20 50 FDGDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824261113 607782038 /nfs/dbraw/zinc/78/20/38/607782038.db2.gz AQDBSJKEVAPNBT-OAHLLOKOSA-N 0 3 358.450 1.613 20 50 FDGDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824261113 607782039 /nfs/dbraw/zinc/78/20/39/607782039.db2.gz AQDBSJKEVAPNBT-OAHLLOKOSA-N 0 3 358.450 1.613 20 50 FDGDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824261113 607782040 /nfs/dbraw/zinc/78/20/40/607782040.db2.gz AQDBSJKEVAPNBT-OAHLLOKOSA-N 0 3 358.450 1.613 20 50 FDGDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824261113 607782041 /nfs/dbraw/zinc/78/20/41/607782041.db2.gz AQDBSJKEVAPNBT-OAHLLOKOSA-N 0 3 358.450 1.613 20 50 FDGDHN C[NH+](C)CC[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736758636 944883223 /nfs/dbraw/zinc/88/32/23/944883223.db2.gz HOMYRRPDJSHHPN-AWEZNQCLSA-N 0 3 360.466 1.859 20 50 FDGDHN C[NH+](C)CC[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736758636 944883229 /nfs/dbraw/zinc/88/32/29/944883229.db2.gz HOMYRRPDJSHHPN-AWEZNQCLSA-N 0 3 360.466 1.859 20 50 FDGDHN C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820261325 945401354 /nfs/dbraw/zinc/40/13/54/945401354.db2.gz MWIOMZZNKJZVIK-GFCCVEGCSA-N 0 3 361.475 1.890 20 50 FDGDHN C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820261325 945401358 /nfs/dbraw/zinc/40/13/58/945401358.db2.gz MWIOMZZNKJZVIK-GFCCVEGCSA-N 0 3 361.475 1.890 20 50 FDGDHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599836199 988746815 /nfs/dbraw/zinc/74/68/15/988746815.db2.gz UYEZYJUEYJIIGQ-LBPRGKRZSA-N 0 3 369.441 1.422 20 50 FDGDHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599836199 988746827 /nfs/dbraw/zinc/74/68/27/988746827.db2.gz UYEZYJUEYJIIGQ-LBPRGKRZSA-N 0 3 369.441 1.422 20 50 FDGDHN C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820262041 945402707 /nfs/dbraw/zinc/40/27/07/945402707.db2.gz QVNQWYZXJWWBRT-ZDUSSCGKSA-N 0 3 373.436 1.968 20 50 FDGDHN C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820262041 945402714 /nfs/dbraw/zinc/40/27/14/945402714.db2.gz QVNQWYZXJWWBRT-ZDUSSCGKSA-N 0 3 373.436 1.968 20 50 FDGDHN CC[C@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323192 944801319 /nfs/dbraw/zinc/80/13/19/944801319.db2.gz VNMSBQMTHRRIMN-ZENNRRHLSA-N 0 3 370.461 1.267 20 50 FDGDHN CC[C@H](C)[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323192 944801327 /nfs/dbraw/zinc/80/13/27/944801327.db2.gz VNMSBQMTHRRIMN-ZENNRRHLSA-N 0 3 370.461 1.267 20 50 FDGDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736400981 944814559 /nfs/dbraw/zinc/81/45/59/944814559.db2.gz UMAMYYCRDPAVQK-OAHLLOKOSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736400981 944814567 /nfs/dbraw/zinc/81/45/67/944814567.db2.gz UMAMYYCRDPAVQK-OAHLLOKOSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736400981 944814575 /nfs/dbraw/zinc/81/45/75/944814575.db2.gz UMAMYYCRDPAVQK-OAHLLOKOSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736400981 944814578 /nfs/dbraw/zinc/81/45/78/944814578.db2.gz UMAMYYCRDPAVQK-OAHLLOKOSA-N 0 3 358.450 1.757 20 50 FDGDHN CC(CCCC[NH+](C)C)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824401242 609275956 /nfs/dbraw/zinc/27/59/56/609275956.db2.gz OQIXQQHWKZLOFR-UHFFFAOYSA-N 0 3 359.434 1.470 20 50 FDGDHN CC(CCCC[NH+](C)C)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824401242 609275957 /nfs/dbraw/zinc/27/59/57/609275957.db2.gz OQIXQQHWKZLOFR-UHFFFAOYSA-N 0 3 359.434 1.470 20 50 FDGDHN O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826446637 607355999 /nfs/dbraw/zinc/35/59/99/607355999.db2.gz SLNXPXPEOQIHSL-CQSZACIVSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826446637 607356001 /nfs/dbraw/zinc/35/60/01/607356001.db2.gz SLNXPXPEOQIHSL-CQSZACIVSA-N 0 3 355.446 1.964 20 50 FDGDHN C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820722706 945536885 /nfs/dbraw/zinc/53/68/85/945536885.db2.gz MCOLVFNXFKOVBN-LBPRGKRZSA-N 0 3 361.475 1.746 20 50 FDGDHN C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820722706 945536892 /nfs/dbraw/zinc/53/68/92/945536892.db2.gz MCOLVFNXFKOVBN-LBPRGKRZSA-N 0 3 361.475 1.746 20 50 FDGDHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599835834 988741189 /nfs/dbraw/zinc/74/11/89/988741189.db2.gz JDGQHQGQRRCDHJ-LBPRGKRZSA-N 0 3 369.441 1.422 20 50 FDGDHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599835834 988741193 /nfs/dbraw/zinc/74/11/93/988741193.db2.gz JDGQHQGQRRCDHJ-LBPRGKRZSA-N 0 3 369.441 1.422 20 50 FDGDHN C[NH+](C)CCOc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825870645 607713469 /nfs/dbraw/zinc/71/34/69/607713469.db2.gz WVFGNFGWZYJHQM-UHFFFAOYSA-N 0 3 367.413 1.564 20 50 FDGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948393 609157317 /nfs/dbraw/zinc/15/73/17/609157317.db2.gz KQDVOWSGQRELKE-GFCCVEGCSA-N 0 3 373.436 1.968 20 50 FDGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948393 609157319 /nfs/dbraw/zinc/15/73/19/609157319.db2.gz KQDVOWSGQRELKE-GFCCVEGCSA-N 0 3 373.436 1.968 20 50 FDGDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736253236 944778906 /nfs/dbraw/zinc/77/89/06/944778906.db2.gz UAEDOVQEKLCDMC-CHWSQXEVSA-N 0 3 358.450 1.756 20 50 FDGDHN C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820254241 945399773 /nfs/dbraw/zinc/39/97/73/945399773.db2.gz OBAXJAMGBLFHPD-LBPRGKRZSA-N 0 3 359.409 1.578 20 50 FDGDHN C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820254241 945399783 /nfs/dbraw/zinc/39/97/83/945399783.db2.gz OBAXJAMGBLFHPD-LBPRGKRZSA-N 0 3 359.409 1.578 20 50 FDGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323191 944801245 /nfs/dbraw/zinc/80/12/45/944801245.db2.gz VNMSBQMTHRRIMN-KMHUVPDISA-N 0 3 370.461 1.267 20 50 FDGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323191 944801258 /nfs/dbraw/zinc/80/12/58/944801258.db2.gz VNMSBQMTHRRIMN-KMHUVPDISA-N 0 3 370.461 1.267 20 50 FDGDHN CCN1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572605 944846655 /nfs/dbraw/zinc/84/66/55/944846655.db2.gz VXGXSSUUHHKKCL-CKNOQMABSA-N 0 3 368.445 1.021 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213480 945004137 /nfs/dbraw/zinc/00/41/37/945004137.db2.gz UGGBUTJNQMPQDM-LLUUXILJSA-N 0 3 368.445 1.020 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213480 945004146 /nfs/dbraw/zinc/00/41/46/945004146.db2.gz UGGBUTJNQMPQDM-LLUUXILJSA-N 0 3 368.445 1.020 20 50 FDGDHN C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820260543 945398875 /nfs/dbraw/zinc/39/88/75/945398875.db2.gz IGQWYDPJSHUISG-GFCCVEGCSA-N 0 3 361.475 1.890 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212142 944990685 /nfs/dbraw/zinc/99/06/85/944990685.db2.gz HWYUZYZXGUSQDL-SXEFYWFXSA-N 0 3 368.445 1.020 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212142 944990694 /nfs/dbraw/zinc/99/06/94/944990694.db2.gz HWYUZYZXGUSQDL-SXEFYWFXSA-N 0 3 368.445 1.020 20 50 FDGDHN CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000736538470 944840108 /nfs/dbraw/zinc/84/01/08/944840108.db2.gz XEVKTNMNFYJDRA-ZROIWOOFSA-N 0 3 368.445 1.021 20 50 FDGDHN CC[N@@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000736538470 944840114 /nfs/dbraw/zinc/84/01/14/944840114.db2.gz XEVKTNMNFYJDRA-ZROIWOOFSA-N 0 3 368.445 1.021 20 50 FDGDHN CCN1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572608 944847350 /nfs/dbraw/zinc/84/73/50/944847350.db2.gz VXGXSSUUHHKKCL-UJMHRVFCSA-N 0 3 368.445 1.021 20 50 FDGDHN CCN1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572606 944846899 /nfs/dbraw/zinc/84/68/99/944846899.db2.gz VXGXSSUUHHKKCL-NHXNDTTKSA-N 0 3 368.445 1.021 20 50 FDGDHN CCC[N@H+](CC)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821095115 945634396 /nfs/dbraw/zinc/63/43/96/945634396.db2.gz YCDABSKKTFIGBJ-XNTDXEJSSA-N 0 3 370.461 1.269 20 50 FDGDHN CCC[N@@H+](CC)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821095115 945634399 /nfs/dbraw/zinc/63/43/99/945634399.db2.gz YCDABSKKTFIGBJ-XNTDXEJSSA-N 0 3 370.461 1.269 20 50 FDGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826447959 607334846 /nfs/dbraw/zinc/33/48/46/607334846.db2.gz CESMOWKJCBADIW-AWEZNQCLSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826447959 607334848 /nfs/dbraw/zinc/33/48/48/607334848.db2.gz CESMOWKJCBADIW-AWEZNQCLSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826447959 607334850 /nfs/dbraw/zinc/33/48/50/607334850.db2.gz CESMOWKJCBADIW-AWEZNQCLSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826447959 607334852 /nfs/dbraw/zinc/33/48/52/607334852.db2.gz CESMOWKJCBADIW-AWEZNQCLSA-N 0 3 355.446 1.964 20 50 FDGDHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824199691 607462737 /nfs/dbraw/zinc/46/27/37/607462737.db2.gz LKSJUTOGMKFVOH-HNNXBMFYSA-N 0 3 359.434 1.103 20 50 FDGDHN COc1ccc(C=NNC(=O)CC[NH+]2CCCCCC2)cc1-c1nnn[n-]1 ZINC000737081159 944952962 /nfs/dbraw/zinc/95/29/62/944952962.db2.gz LFOLDFDREYIHFL-UHFFFAOYSA-N 0 3 371.445 1.592 20 50 FDGDHN COc1ccc(C=NNC(=O)CC[NH+]2CCCCCC2)cc1-c1nn[n-]n1 ZINC000737081159 944952970 /nfs/dbraw/zinc/95/29/70/944952970.db2.gz LFOLDFDREYIHFL-UHFFFAOYSA-N 0 3 371.445 1.592 20 50 FDGDHN 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944955700 /nfs/dbraw/zinc/95/57/00/944955700.db2.gz ZDMUAEBJZSOEDW-CYBMUJFWSA-N 0 3 371.445 1.447 20 50 FDGDHN CC[NH+](CC)CCC(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821189642 945649370 /nfs/dbraw/zinc/64/93/70/945649370.db2.gz QYMYBNOIRYQEKO-UHFFFAOYSA-N 0 3 355.446 1.755 20 50 FDGDHN CC[NH+](CC)CCC(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821189642 945649374 /nfs/dbraw/zinc/64/93/74/945649374.db2.gz QYMYBNOIRYQEKO-UHFFFAOYSA-N 0 3 355.446 1.755 20 50 FDGDHN C[NH+](C)CC1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825859938 607561255 /nfs/dbraw/zinc/56/12/55/607561255.db2.gz IXDCYZWQTZJABB-UHFFFAOYSA-N 0 3 358.450 1.613 20 50 FDGDHN C[NH+](C)CC1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825859938 607561257 /nfs/dbraw/zinc/56/12/57/607561257.db2.gz IXDCYZWQTZJABB-UHFFFAOYSA-N 0 3 358.450 1.613 20 50 FDGDHN C[NH+](C)CCOc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825870602 607340330 /nfs/dbraw/zinc/34/03/30/607340330.db2.gz ULEPYECAXWSGRV-UHFFFAOYSA-N 0 3 367.413 1.564 20 50 FDGDHN C[C@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820254240 945397815 /nfs/dbraw/zinc/39/78/15/945397815.db2.gz OBAXJAMGBLFHPD-GFCCVEGCSA-N 0 3 359.409 1.578 20 50 FDGDHN C[C@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820254240 945397819 /nfs/dbraw/zinc/39/78/19/945397819.db2.gz OBAXJAMGBLFHPD-GFCCVEGCSA-N 0 3 359.409 1.578 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820722705 945538343 /nfs/dbraw/zinc/53/83/43/945538343.db2.gz MCOLVFNXFKOVBN-GFCCVEGCSA-N 0 3 361.475 1.746 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820722705 945538349 /nfs/dbraw/zinc/53/83/49/945538349.db2.gz MCOLVFNXFKOVBN-GFCCVEGCSA-N 0 3 361.475 1.746 20 50 FDGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948394 609157404 /nfs/dbraw/zinc/15/74/04/609157404.db2.gz KQDVOWSGQRELKE-LBPRGKRZSA-N 0 3 373.436 1.968 20 50 FDGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948394 609157406 /nfs/dbraw/zinc/15/74/06/609157406.db2.gz KQDVOWSGQRELKE-LBPRGKRZSA-N 0 3 373.436 1.968 20 50 FDGDHN Cc1cc(C(=O)NNc2ccncc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826260384 609172503 /nfs/dbraw/zinc/17/25/03/609172503.db2.gz LMTTZIMCYRGULB-UHFFFAOYSA-N 0 3 374.408 1.848 20 50 FDGDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735880995 944709374 /nfs/dbraw/zinc/70/93/74/944709374.db2.gz FHTJOBCFDWGSJY-ZDUSSCGKSA-N 0 3 358.450 1.613 20 50 FDGDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735880995 944709380 /nfs/dbraw/zinc/70/93/80/944709380.db2.gz FHTJOBCFDWGSJY-ZDUSSCGKSA-N 0 3 358.450 1.613 20 50 FDGDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735880995 944709387 /nfs/dbraw/zinc/70/93/87/944709387.db2.gz FHTJOBCFDWGSJY-ZDUSSCGKSA-N 0 3 358.450 1.613 20 50 FDGDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735880995 944709390 /nfs/dbraw/zinc/70/93/90/944709390.db2.gz FHTJOBCFDWGSJY-ZDUSSCGKSA-N 0 3 358.450 1.613 20 50 FDGDHN CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000736538469 944841946 /nfs/dbraw/zinc/84/19/46/944841946.db2.gz XEVKTNMNFYJDRA-NTEUORMPSA-N 0 3 368.445 1.021 20 50 FDGDHN CC[N@@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000736538469 944841951 /nfs/dbraw/zinc/84/19/51/944841951.db2.gz XEVKTNMNFYJDRA-NTEUORMPSA-N 0 3 368.445 1.021 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820722664 945537046 /nfs/dbraw/zinc/53/70/46/945537046.db2.gz LGYUXRNPWCIQON-GFCCVEGCSA-N 0 3 361.475 1.746 20 50 FDGDHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824199692 607462433 /nfs/dbraw/zinc/46/24/33/607462433.db2.gz LKSJUTOGMKFVOH-OAHLLOKOSA-N 0 3 359.434 1.103 20 50 FDGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323189 944803137 /nfs/dbraw/zinc/80/31/37/944803137.db2.gz VNMSBQMTHRRIMN-CDCQXCROSA-N 0 3 370.461 1.267 20 50 FDGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323189 944803140 /nfs/dbraw/zinc/80/31/40/944803140.db2.gz VNMSBQMTHRRIMN-CDCQXCROSA-N 0 3 370.461 1.267 20 50 FDGDHN CCC[N@H+](CC)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821095113 945632367 /nfs/dbraw/zinc/63/23/67/945632367.db2.gz YCDABSKKTFIGBJ-GDNBJRDFSA-N 0 3 370.461 1.269 20 50 FDGDHN CCC[N@@H+](CC)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821095113 945632375 /nfs/dbraw/zinc/63/23/75/945632375.db2.gz YCDABSKKTFIGBJ-GDNBJRDFSA-N 0 3 370.461 1.269 20 50 FDGDHN O=C(CC1(N2CCOCC2)CCCC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404031 607348400 /nfs/dbraw/zinc/34/84/00/607348400.db2.gz LXYBSRLIXJGCJW-UHFFFAOYSA-N 0 3 371.445 1.345 20 50 FDGDHN CC(C)C[NH+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC(C)C ZINC000824255625 607920446 /nfs/dbraw/zinc/92/04/46/607920446.db2.gz QJHPCSREUQRNFR-UHFFFAOYSA-N 0 3 373.461 1.242 20 50 FDGDHN C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820260545 945398990 /nfs/dbraw/zinc/39/89/90/945398990.db2.gz IGQWYDPJSHUISG-LBPRGKRZSA-N 0 3 361.475 1.890 20 50 FDGDHN C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820722665 945536321 /nfs/dbraw/zinc/53/63/21/945536321.db2.gz LGYUXRNPWCIQON-LBPRGKRZSA-N 0 3 361.475 1.746 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820723088 945538076 /nfs/dbraw/zinc/53/80/76/945538076.db2.gz VPOIYHODELEXQO-CYBMUJFWSA-N 0 3 373.436 1.824 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820723088 945538085 /nfs/dbraw/zinc/53/80/85/945538085.db2.gz VPOIYHODELEXQO-CYBMUJFWSA-N 0 3 373.436 1.824 20 50 FDGDHN CC(C)(C)CC(C)(C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824079122 607922316 /nfs/dbraw/zinc/92/23/16/607922316.db2.gz MUXSEOYFIMZFGG-UHFFFAOYSA-N 0 3 373.461 1.432 20 50 FDGDHN CC(C)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824288426 607924844 /nfs/dbraw/zinc/92/48/44/607924844.db2.gz FUBRDQNOSOTVSE-UHFFFAOYSA-N 0 3 371.445 1.281 20 50 FDGDHN CC(C)[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824288426 607924845 /nfs/dbraw/zinc/92/48/45/607924845.db2.gz FUBRDQNOSOTVSE-UHFFFAOYSA-N 0 3 371.445 1.281 20 50 FDGDHN CCCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736453973 944826309 /nfs/dbraw/zinc/82/63/09/944826309.db2.gz VJRQFIPSFVPNJB-GDNBJRDFSA-N 0 3 370.461 1.269 20 50 FDGDHN CCCC[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736453973 944826310 /nfs/dbraw/zinc/82/63/10/944826310.db2.gz VJRQFIPSFVPNJB-GDNBJRDFSA-N 0 3 370.461 1.269 20 50 FDGDHN CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000736537348 944840749 /nfs/dbraw/zinc/84/07/49/944840749.db2.gz MYQSVFYBAMCSRM-OQLLNIDSSA-N 0 3 370.461 1.267 20 50 FDGDHN CC[N@@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000736537348 944840756 /nfs/dbraw/zinc/84/07/56/944840756.db2.gz MYQSVFYBAMCSRM-OQLLNIDSSA-N 0 3 370.461 1.267 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)N(C)CCCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000822020688 945924097 /nfs/dbraw/zinc/92/40/97/945924097.db2.gz GXIZEYLHJKYPOR-GDNBJRDFSA-N 0 3 370.461 1.221 20 50 FDGDHN CCCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736453975 944826407 /nfs/dbraw/zinc/82/64/07/944826407.db2.gz VJRQFIPSFVPNJB-XNTDXEJSSA-N 0 3 370.461 1.269 20 50 FDGDHN CCCC[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736453975 944826413 /nfs/dbraw/zinc/82/64/13/944826413.db2.gz VJRQFIPSFVPNJB-XNTDXEJSSA-N 0 3 370.461 1.269 20 50 FDGDHN COc1ccc(C=NNC(=O)[C@@H](C)C[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000737082762 944954164 /nfs/dbraw/zinc/95/41/64/944954164.db2.gz ZDMUAEBJZSOEDW-ZDUSSCGKSA-N 0 3 371.445 1.447 20 50 FDGDHN COc1ccc(C=NNC(=O)[C@@H](C)C[NH+]2CCCCC2)cc1-c1nn[n-]n1 ZINC000737082762 944954175 /nfs/dbraw/zinc/95/41/75/944954175.db2.gz ZDMUAEBJZSOEDW-ZDUSSCGKSA-N 0 3 371.445 1.447 20 50 FDGDHN C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824414318 607884226 /nfs/dbraw/zinc/88/42/26/607884226.db2.gz 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3 357.418 1.079 20 50 FDGDHN CC[N@H+]1CCC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736566116 944843499 /nfs/dbraw/zinc/84/34/99/944843499.db2.gz WJCVZGNGOIBAAN-GFCCVEGCSA-N 0 3 357.418 1.079 20 50 FDGDHN C[NH+](C)CC[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736758638 944882866 /nfs/dbraw/zinc/88/28/66/944882866.db2.gz HOMYRRPDJSHHPN-CQSZACIVSA-N 0 3 360.466 1.859 20 50 FDGDHN C[NH+](C)CC[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736758638 944882870 /nfs/dbraw/zinc/88/28/70/944882870.db2.gz HOMYRRPDJSHHPN-CQSZACIVSA-N 0 3 360.466 1.859 20 50 FDGDHN O=C(CC[NH+]1CCCCCC1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822964144 946235752 /nfs/dbraw/zinc/23/57/52/946235752.db2.gz DXBWDSHVJYXIOJ-UHFFFAOYSA-N 0 3 359.409 1.722 20 50 FDGDHN O=C(CC[NH+]1CCCCCC1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822964144 946235762 /nfs/dbraw/zinc/23/57/62/946235762.db2.gz DXBWDSHVJYXIOJ-UHFFFAOYSA-N 0 3 359.409 1.722 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213481 945004095 /nfs/dbraw/zinc/00/40/95/945004095.db2.gz UGGBUTJNQMPQDM-NGPAHMQLSA-N 0 3 368.445 1.020 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213481 945004105 /nfs/dbraw/zinc/00/41/05/945004105.db2.gz UGGBUTJNQMPQDM-NGPAHMQLSA-N 0 3 368.445 1.020 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213482 945004304 /nfs/dbraw/zinc/00/43/04/945004304.db2.gz UGGBUTJNQMPQDM-ODYDIQAQSA-N 0 3 368.445 1.020 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213482 945004314 /nfs/dbraw/zinc/00/43/14/945004314.db2.gz UGGBUTJNQMPQDM-ODYDIQAQSA-N 0 3 368.445 1.020 20 50 FDGDHN O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826446636 607356037 /nfs/dbraw/zinc/35/60/37/607356037.db2.gz SLNXPXPEOQIHSL-AWEZNQCLSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826446636 607356040 /nfs/dbraw/zinc/35/60/40/607356040.db2.gz SLNXPXPEOQIHSL-AWEZNQCLSA-N 0 3 355.446 1.964 20 50 FDGDHN CC[C@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323190 944802017 /nfs/dbraw/zinc/80/20/17/944802017.db2.gz VNMSBQMTHRRIMN-DGGAMASNSA-N 0 3 370.461 1.267 20 50 FDGDHN CC[C@H](C)[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736323190 944802028 /nfs/dbraw/zinc/80/20/28/944802028.db2.gz VNMSBQMTHRRIMN-DGGAMASNSA-N 0 3 370.461 1.267 20 50 FDGDHN C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820723089 945537404 /nfs/dbraw/zinc/53/74/04/945537404.db2.gz VPOIYHODELEXQO-ZDUSSCGKSA-N 0 3 373.436 1.824 20 50 FDGDHN C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820723089 945537416 /nfs/dbraw/zinc/53/74/16/945537416.db2.gz VPOIYHODELEXQO-ZDUSSCGKSA-N 0 3 373.436 1.824 20 50 FDGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948402 608094013 /nfs/dbraw/zinc/09/40/13/608094013.db2.gz KVPSVFUOPMFZPH-LLVKDONJSA-N 0 3 361.475 1.890 20 50 FDGDHN Cc1c(C=C(C#N)C(=O)N(C)CCCC[NH+](C)C)cc(-c2nn[n-]n2)n1C ZINC000822020689 945922420 /nfs/dbraw/zinc/92/24/20/945922420.db2.gz GXIZEYLHJKYPOR-XNTDXEJSSA-N 0 3 370.461 1.221 20 50 FDGDHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824199623 607464140 /nfs/dbraw/zinc/46/41/40/607464140.db2.gz KEVOGQMEVITHSS-OAHLLOKOSA-N 0 3 359.434 1.103 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824952812 607884115 /nfs/dbraw/zinc/88/41/15/607884115.db2.gz BFBJECADMHZASU-CQSZACIVSA-N 0 3 355.446 1.685 20 50 FDGDHN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824952812 607884116 /nfs/dbraw/zinc/88/41/16/607884116.db2.gz BFBJECADMHZASU-CQSZACIVSA-N 0 3 355.446 1.685 20 50 FDGDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736400980 944815844 /nfs/dbraw/zinc/81/58/44/944815844.db2.gz UMAMYYCRDPAVQK-HNNXBMFYSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736400980 944815849 /nfs/dbraw/zinc/81/58/49/944815849.db2.gz UMAMYYCRDPAVQK-HNNXBMFYSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736400980 944815856 /nfs/dbraw/zinc/81/58/56/944815856.db2.gz UMAMYYCRDPAVQK-HNNXBMFYSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736400980 944815861 /nfs/dbraw/zinc/81/58/61/944815861.db2.gz UMAMYYCRDPAVQK-HNNXBMFYSA-N 0 3 358.450 1.757 20 50 FDGDHN CC[NH+](CC)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736535273 944841629 /nfs/dbraw/zinc/84/16/29/944841629.db2.gz WDRRBQJUPXUOOJ-PWDRSIHYSA-N 0 3 370.461 1.267 20 50 FDGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948213 609275471 /nfs/dbraw/zinc/27/54/71/609275471.db2.gz HPIARQREZVNVBZ-GFCCVEGCSA-N 0 3 373.436 1.968 20 50 FDGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948213 609275473 /nfs/dbraw/zinc/27/54/73/609275473.db2.gz HPIARQREZVNVBZ-GFCCVEGCSA-N 0 3 373.436 1.968 20 50 FDGDHN C#CCN1CCC(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000105965287 671604722 /nfs/dbraw/zinc/60/47/22/671604722.db2.gz REPJPQBUVSTQLT-UHFFFAOYSA-N 0 3 353.344 1.812 20 50 FDGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826447960 607335118 /nfs/dbraw/zinc/33/51/18/607335118.db2.gz CESMOWKJCBADIW-CQSZACIVSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826447960 607335119 /nfs/dbraw/zinc/33/51/19/607335119.db2.gz CESMOWKJCBADIW-CQSZACIVSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826447960 607335121 /nfs/dbraw/zinc/33/51/21/607335121.db2.gz CESMOWKJCBADIW-CQSZACIVSA-N 0 3 355.446 1.964 20 50 FDGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826447960 607335123 /nfs/dbraw/zinc/33/51/23/607335123.db2.gz CESMOWKJCBADIW-CQSZACIVSA-N 0 3 355.446 1.964 20 50 FDGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948214 609275411 /nfs/dbraw/zinc/27/54/11/609275411.db2.gz HPIARQREZVNVBZ-LBPRGKRZSA-N 0 3 373.436 1.968 20 50 FDGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948214 609275412 /nfs/dbraw/zinc/27/54/12/609275412.db2.gz HPIARQREZVNVBZ-LBPRGKRZSA-N 0 3 373.436 1.968 20 50 FDGDHN CCN1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572607 944846408 /nfs/dbraw/zinc/84/64/08/944846408.db2.gz VXGXSSUUHHKKCL-OWTLUSIOSA-N 0 3 368.445 1.021 20 50 FDGDHN C[N@@H+]1CC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821621924 945751940 /nfs/dbraw/zinc/75/19/40/945751940.db2.gz LHCOGVUDDRKRLH-QMMMGPOBSA-N 0 3 355.324 1.280 20 50 FDGDHN C[N@H+]1CC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821621924 945751945 /nfs/dbraw/zinc/75/19/45/945751945.db2.gz LHCOGVUDDRKRLH-QMMMGPOBSA-N 0 3 355.324 1.280 20 50 FDGDHN C[N@@H+]1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821621924 945751951 /nfs/dbraw/zinc/75/19/51/945751951.db2.gz LHCOGVUDDRKRLH-QMMMGPOBSA-N 0 3 355.324 1.280 20 50 FDGDHN C[N@H+]1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821621924 945751955 /nfs/dbraw/zinc/75/19/55/945751955.db2.gz LHCOGVUDDRKRLH-QMMMGPOBSA-N 0 3 355.324 1.280 20 50 FDGDHN