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CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000816694503 1075042306 /nfs/dbraw/zinc/04/23/06/1075042306.db2.gz HIQQIAPNWPKANV-LBPRGKRZSA-N -1 3 386.430 -1.015 20 30 GAEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000816695216 1075042400 /nfs/dbraw/zinc/04/24/00/1075042400.db2.gz XKIXWFDIGJVONU-GFCCVEGCSA-N -1 3 382.398 -1.473 20 30 GAEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000816695217 1075042349 /nfs/dbraw/zinc/04/23/49/1075042349.db2.gz XKIXWFDIGJVONU-LBPRGKRZSA-N -1 3 382.398 -1.473 20 30 GAEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000816754022 1075042736 /nfs/dbraw/zinc/04/27/36/1075042736.db2.gz UUWTYNVHUQOSLZ-CYBMUJFWSA-N -1 3 396.425 -1.083 20 30 GAEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000816754023 1075042708 /nfs/dbraw/zinc/04/27/08/1075042708.db2.gz UUWTYNVHUQOSLZ-ZDUSSCGKSA-N -1 3 396.425 -1.083 20 30 GAEDHM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816754810 1075042814 /nfs/dbraw/zinc/04/28/14/1075042814.db2.gz MBROFQXPECYYMV-BXKDBHETSA-N -1 3 384.414 -1.051 20 30 GAEDHM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816754811 1075042730 /nfs/dbraw/zinc/04/27/30/1075042730.db2.gz MBROFQXPECYYMV-CABZTGNLSA-N -1 3 384.414 -1.051 20 30 GAEDHM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816754812 1075042786 /nfs/dbraw/zinc/04/27/86/1075042786.db2.gz MBROFQXPECYYMV-JOYOIKCWSA-N -1 3 384.414 -1.051 20 30 GAEDHM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816754813 1075042771 /nfs/dbraw/zinc/04/27/71/1075042771.db2.gz MBROFQXPECYYMV-SKDRFNHKSA-N -1 3 384.414 -1.051 20 30 GAEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000816756829 1075042828 /nfs/dbraw/zinc/04/28/28/1075042828.db2.gz GATDUUQGMPDCMD-CYBMUJFWSA-N -1 3 396.425 -1.083 20 30 GAEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000816756830 1075042824 /nfs/dbraw/zinc/04/28/24/1075042824.db2.gz GATDUUQGMPDCMD-ZDUSSCGKSA-N -1 3 396.425 -1.083 20 30 GAEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H](CO)CN1CCOCC1 ZINC000819636820 1075046453 /nfs/dbraw/zinc/04/64/53/1075046453.db2.gz JJLPYVBVJCQNHJ-GFCCVEGCSA-N -1 3 382.442 -1.466 20 30 GAEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)CN1CCOCC1 ZINC000819636822 1075046382 /nfs/dbraw/zinc/04/63/82/1075046382.db2.gz JJLPYVBVJCQNHJ-LBPRGKRZSA-N -1 3 382.442 -1.466 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819702394 607115665 /nfs/dbraw/zinc/11/56/65/607115665.db2.gz YUHWKRIPDUMVJR-JTQLQIEISA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819702394 607115664 /nfs/dbraw/zinc/11/56/64/607115664.db2.gz YUHWKRIPDUMVJR-JTQLQIEISA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819702409 607115660 /nfs/dbraw/zinc/11/56/60/607115660.db2.gz YUHWKRIPDUMVJR-SNVBAGLBSA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819702409 607115659 /nfs/dbraw/zinc/11/56/59/607115659.db2.gz YUHWKRIPDUMVJR-SNVBAGLBSA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819702428 607120227 /nfs/dbraw/zinc/12/02/27/607120227.db2.gz ZEJPBWWYWPCDNG-JTQLQIEISA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819702428 607120225 /nfs/dbraw/zinc/12/02/25/607120225.db2.gz ZEJPBWWYWPCDNG-JTQLQIEISA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819702431 607120150 /nfs/dbraw/zinc/12/01/50/607120150.db2.gz ZEJPBWWYWPCDNG-SNVBAGLBSA-N -1 3 392.397 -1.174 20 30 GAEDHM C#CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819702431 607120148 /nfs/dbraw/zinc/12/01/48/607120148.db2.gz ZEJPBWWYWPCDNG-SNVBAGLBSA-N -1 3 392.397 -1.174 20 30 GAEDHM NS(=O)(=O)CCOCCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000819788015 637440225 /nfs/dbraw/zinc/44/02/25/637440225.db2.gz RHXXNZLKIPVLFC-UHFFFAOYSA-N -1 3 390.443 -1.854 20 30 GAEDHM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@@H]3CCN([O-])C3=O)CC2=O)c1 ZINC000820178772 1075047113 /nfs/dbraw/zinc/04/71/13/1075047113.db2.gz ATJASXVJZWAGCN-BXKDBHETSA-N -1 3 382.398 -1.207 20 30 GAEDHM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@H]3CCN([O-])C3=O)CC2=O)c1 ZINC000820178773 1075047159 /nfs/dbraw/zinc/04/71/59/1075047159.db2.gz ATJASXVJZWAGCN-CABZTGNLSA-N -1 3 382.398 -1.207 20 30 GAEDHM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H]3CCN([O-])C3=O)CC2=O)c1 ZINC000820178774 1075047136 /nfs/dbraw/zinc/04/71/36/1075047136.db2.gz ATJASXVJZWAGCN-JOYOIKCWSA-N -1 3 382.398 -1.207 20 30 GAEDHM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@H]3CCN([O-])C3=O)CC2=O)c1 ZINC000820178775 1075047081 /nfs/dbraw/zinc/04/70/81/1075047081.db2.gz ATJASXVJZWAGCN-SKDRFNHKSA-N -1 3 382.398 -1.207 20 30 GAEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NCC#N ZINC000820444795 607116265 /nfs/dbraw/zinc/11/62/65/607116265.db2.gz LXXRWCQSGAQGKN-SECBINFHSA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NCC#N ZINC000820444795 607116264 /nfs/dbraw/zinc/11/62/64/607116264.db2.gz LXXRWCQSGAQGKN-SECBINFHSA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NCC#N ZINC000820444804 607115865 /nfs/dbraw/zinc/11/58/65/607115865.db2.gz LXXRWCQSGAQGKN-VIFPVBQESA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NCC#N ZINC000820444804 607115864 /nfs/dbraw/zinc/11/58/64/607115864.db2.gz LXXRWCQSGAQGKN-VIFPVBQESA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)NCC#N ZINC000820450393 607120774 /nfs/dbraw/zinc/12/07/74/607120774.db2.gz JZRYJTPLYSZQJG-SECBINFHSA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)NCC#N ZINC000820450393 607120771 /nfs/dbraw/zinc/12/07/71/607120771.db2.gz JZRYJTPLYSZQJG-SECBINFHSA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)NCC#N ZINC000820450394 607120447 /nfs/dbraw/zinc/12/04/47/607120447.db2.gz JZRYJTPLYSZQJG-VIFPVBQESA-N -1 3 393.385 -1.284 20 30 GAEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)NCC#N ZINC000820450394 607120446 /nfs/dbraw/zinc/12/04/46/607120446.db2.gz JZRYJTPLYSZQJG-VIFPVBQESA-N -1 3 393.385 -1.284 20 30 GAEDHM C#CCNC(=O)CN1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000823850269 946490717 /nfs/dbraw/zinc/49/07/17/946490717.db2.gz LYQUDDARONBVQI-UHFFFAOYSA-N -1 3 386.416 -1.011 20 30 GAEDHM C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823850284 608040856 /nfs/dbraw/zinc/04/08/56/608040856.db2.gz MMDOLZJXRZCPAX-HNNXBMFYSA-N -1 3 391.457 -1.015 20 30 GAEDHM C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823850284 608040855 /nfs/dbraw/zinc/04/08/55/608040855.db2.gz MMDOLZJXRZCPAX-HNNXBMFYSA-N -1 3 391.457 -1.015 20 30 GAEDHM C#CCNS(=O)(=O)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823850285 608040923 /nfs/dbraw/zinc/04/09/23/608040923.db2.gz MMDOLZJXRZCPAX-OAHLLOKOSA-N -1 3 391.457 -1.015 20 30 GAEDHM C#CCNS(=O)(=O)N1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823850285 608040922 /nfs/dbraw/zinc/04/09/22/608040922.db2.gz MMDOLZJXRZCPAX-OAHLLOKOSA-N -1 3 391.457 -1.015 20 30 GAEDHM C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823850772 609222330 /nfs/dbraw/zinc/22/23/30/609222330.db2.gz SQPWMYVWHHVOAU-INIZCTEOSA-N -1 3 383.412 -1.206 20 30 GAEDHM C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823850772 609222329 /nfs/dbraw/zinc/22/23/29/609222329.db2.gz SQPWMYVWHHVOAU-INIZCTEOSA-N -1 3 383.412 -1.206 20 30 GAEDHM C#CCNC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823850773 609221855 /nfs/dbraw/zinc/22/18/55/609221855.db2.gz SQPWMYVWHHVOAU-MRXNPFEDSA-N -1 3 383.412 -1.206 20 30 GAEDHM C#CCNC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823850773 609221853 /nfs/dbraw/zinc/22/18/53/609221853.db2.gz SQPWMYVWHHVOAU-MRXNPFEDSA-N -1 3 383.412 -1.206 20 30 GAEDHM C#CCNC(=O)CN1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823851082 608222242 /nfs/dbraw/zinc/22/22/42/608222242.db2.gz ZEEXWAPFALRBKV-UHFFFAOYSA-N -1 3 397.443 -1.043 20 30 GAEDHM C#CCNC(=O)CN1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823851082 608222239 /nfs/dbraw/zinc/22/22/39/608222239.db2.gz ZEEXWAPFALRBKV-UHFFFAOYSA-N -1 3 397.443 -1.043 20 30 GAEDHM C=CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823919294 609265362 /nfs/dbraw/zinc/26/53/62/609265362.db2.gz BOSPSRYGQKGFIP-JTQLQIEISA-N -1 3 393.429 -1.048 20 30 GAEDHM C=CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823919294 609265361 /nfs/dbraw/zinc/26/53/61/609265361.db2.gz BOSPSRYGQKGFIP-JTQLQIEISA-N -1 3 393.429 -1.048 20 30 GAEDHM 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ZINC000823919987 609265136 /nfs/dbraw/zinc/26/51/36/609265136.db2.gz VSEMPVJMLFRXSC-SNVBAGLBSA-N -1 3 393.429 -1.048 20 30 GAEDHM Cn1cnc2c1c(=O)n(CCCn1cnc(C#N)c1-c1nnn[n-]1)c(=O)n2C ZINC000826364839 948142485 /nfs/dbraw/zinc/14/24/85/948142485.db2.gz NRGFQJRSGWRNAT-UHFFFAOYSA-N -1 3 381.360 -1.228 20 30 GAEDHM COC(=O)CNC(=O)[C@@H](C)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000831243693 1073857449 /nfs/dbraw/zinc/85/74/49/1073857449.db2.gz MPMMXSPJEKDJGX-SECBINFHSA-N -1 3 383.382 -1.054 20 30 GAEDHM COC(=O)CNC(=O)[C@H](C)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000831243694 1073857525 /nfs/dbraw/zinc/85/75/25/1073857525.db2.gz MPMMXSPJEKDJGX-VIFPVBQESA-N -1 3 383.382 -1.054 20 30 GAEDHM CS(=O)(=O)N1CC[C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000844826626 637453648 /nfs/dbraw/zinc/45/36/48/637453648.db2.gz YOCNLBOCXSFWCT-JTQLQIEISA-N -1 3 386.455 -1.125 20 30 GAEDHM CS(=O)(=O)N1CC[C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000844826627 637453308 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GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588351156 1076058772 /nfs/dbraw/zinc/05/87/72/1076058772.db2.gz GVQFWZSXWNNGQA-OCCSQVGLSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588351156 1076058766 /nfs/dbraw/zinc/05/87/66/1076058766.db2.gz GVQFWZSXWNNGQA-OCCSQVGLSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588351160 1076058869 /nfs/dbraw/zinc/05/88/69/1076058869.db2.gz HCDULVQBRRRAKJ-JSGCOSHPSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588351161 1076058976 /nfs/dbraw/zinc/05/89/76/1076058976.db2.gz HCDULVQBRRRAKJ-OCCSQVGLSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001588351253 1076059482 /nfs/dbraw/zinc/05/94/82/1076059482.db2.gz LKPPYUSXMNRBKJ-RDBSUJKOSA-N -1 3 383.416 -1.580 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588351294 1076059335 /nfs/dbraw/zinc/05/93/35/1076059335.db2.gz NKDUDASYPNUHRE-QLFBSQMISA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588351294 1076059330 /nfs/dbraw/zinc/05/93/30/1076059330.db2.gz NKDUDASYPNUHRE-QLFBSQMISA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001588351336 1076059171 /nfs/dbraw/zinc/05/91/71/1076059171.db2.gz OSFNSEPNIKRZHG-ILXRZTDVSA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001588351336 1076059165 /nfs/dbraw/zinc/05/91/65/1076059165.db2.gz OSFNSEPNIKRZHG-ILXRZTDVSA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001588351365 1076059198 /nfs/dbraw/zinc/05/91/98/1076059198.db2.gz QJGXVBSMHBGZAN-ILXRZTDVSA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001588351365 1076059193 /nfs/dbraw/zinc/05/91/93/1076059193.db2.gz QJGXVBSMHBGZAN-ILXRZTDVSA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001588351406 1076059242 /nfs/dbraw/zinc/05/92/42/1076059242.db2.gz SPGJFSJPRAPSKK-ILXRZTDVSA-N -1 3 397.443 -1.272 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588351407 1076059456 /nfs/dbraw/zinc/05/94/56/1076059456.db2.gz SPGJFSJPRAPSKK-QLFBSQMISA-N -1 3 397.443 -1.272 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588351414 1076059263 /nfs/dbraw/zinc/05/92/63/1076059263.db2.gz SXUWSMPSPHLHGF-JSGCOSHPSA-N -1 3 385.432 -1.048 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588351414 1076059260 /nfs/dbraw/zinc/05/92/60/1076059260.db2.gz SXUWSMPSPHLHGF-JSGCOSHPSA-N -1 3 385.432 -1.048 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588351415 1076059310 /nfs/dbraw/zinc/05/93/10/1076059310.db2.gz SXUWSMPSPHLHGF-OCCSQVGLSA-N -1 3 385.432 -1.048 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588351415 1076059305 /nfs/dbraw/zinc/05/93/05/1076059305.db2.gz SXUWSMPSPHLHGF-OCCSQVGLSA-N -1 3 385.432 -1.048 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001588351510 1076059289 /nfs/dbraw/zinc/05/92/89/1076059289.db2.gz XOKFXGDEKBOMLJ-QLFBSQMISA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001588351510 1076059284 /nfs/dbraw/zinc/05/92/84/1076059284.db2.gz XOKFXGDEKBOMLJ-QLFBSQMISA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001588351542 1076059568 /nfs/dbraw/zinc/05/95/68/1076059568.db2.gz YIZFHVDSMNSYRT-ILXRZTDVSA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588351543 1076059357 /nfs/dbraw/zinc/05/93/57/1076059357.db2.gz YIZFHVDSMNSYRT-QLFBSQMISA-N -1 3 398.427 -1.406 20 30 GAEDHM C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588351580 1076059412 /nfs/dbraw/zinc/05/94/12/1076059412.db2.gz ZTFCKETZTNLOGF-UHFFFAOYSA-N -1 3 389.441 -1.078 20 30 GAEDHM C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588351580 1076059405 /nfs/dbraw/zinc/05/94/05/1076059405.db2.gz ZTFCKETZTNLOGF-UHFFFAOYSA-N -1 3 389.441 -1.078 20 30 GAEDHM C#CCN1CCC(C(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001588352021 1076059870 /nfs/dbraw/zinc/05/98/70/1076059870.db2.gz RFLNPXAMHQEKCZ-UHFFFAOYSA-N -1 3 384.400 -1.143 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001588352439 1076059940 /nfs/dbraw/zinc/05/99/40/1076059940.db2.gz KQOHQRBXMMQOSR-OLZOCXBDSA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001588352439 1076059936 /nfs/dbraw/zinc/05/99/36/1076059936.db2.gz KQOHQRBXMMQOSR-OLZOCXBDSA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001588352440 1076060021 /nfs/dbraw/zinc/06/00/21/1076060021.db2.gz KQOHQRBXMMQOSR-STQMWFEESA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001588352440 1076060017 /nfs/dbraw/zinc/06/00/17/1076060017.db2.gz KQOHQRBXMMQOSR-STQMWFEESA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588352529 1076060047 /nfs/dbraw/zinc/06/00/47/1076060047.db2.gz NJISKFNVJOMOSU-JSGCOSHPSA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588352529 1076060045 /nfs/dbraw/zinc/06/00/45/1076060045.db2.gz NJISKFNVJOMOSU-JSGCOSHPSA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588352530 1076059895 /nfs/dbraw/zinc/05/98/95/1076059895.db2.gz NJISKFNVJOMOSU-OCCSQVGLSA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588352530 1076059891 /nfs/dbraw/zinc/05/98/91/1076059891.db2.gz NJISKFNVJOMOSU-OCCSQVGLSA-N -1 3 385.432 -1.015 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588352650 1076060073 /nfs/dbraw/zinc/06/00/73/1076060073.db2.gz RDWFDYLLLXRELS-ZDUSSCGKSA-N -1 3 385.432 -1.591 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588352790 1076060001 /nfs/dbraw/zinc/06/00/01/1076060001.db2.gz WQUFKEPQNZMECJ-AWEZNQCLSA-N -1 3 385.432 -1.013 20 30 GAEDHM C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588352790 1076059997 /nfs/dbraw/zinc/05/99/97/1076059997.db2.gz WQUFKEPQNZMECJ-AWEZNQCLSA-N -1 3 385.432 -1.013 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588352987 1076059753 /nfs/dbraw/zinc/05/97/53/1076059753.db2.gz CQHRXCBMHBCALY-LLVKDONJSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588352987 1076059749 /nfs/dbraw/zinc/05/97/49/1076059749.db2.gz CQHRXCBMHBCALY-LLVKDONJSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588352988 1076059847 /nfs/dbraw/zinc/05/98/47/1076059847.db2.gz CQHRXCBMHBCALY-NSHDSACASA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588352988 1076059843 /nfs/dbraw/zinc/05/98/43/1076059843.db2.gz CQHRXCBMHBCALY-NSHDSACASA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001588353099 1076060308 /nfs/dbraw/zinc/06/03/08/1076060308.db2.gz GOFVPJJSPOLVRX-QWHCGFSZSA-N -1 3 375.414 -1.249 20 30 GAEDHM C#CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001588353099 1076060302 /nfs/dbraw/zinc/06/03/02/1076060302.db2.gz GOFVPJJSPOLVRX-QWHCGFSZSA-N -1 3 375.414 -1.249 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588353127 1076060450 /nfs/dbraw/zinc/06/04/50/1076060450.db2.gz HIXCDOXQOBRGCG-LLVKDONJSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588353127 1076060444 /nfs/dbraw/zinc/06/04/44/1076060444.db2.gz HIXCDOXQOBRGCG-LLVKDONJSA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588353128 1076060212 /nfs/dbraw/zinc/06/02/12/1076060212.db2.gz HIXCDOXQOBRGCG-NSHDSACASA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588353128 1076060205 /nfs/dbraw/zinc/06/02/05/1076060205.db2.gz HIXCDOXQOBRGCG-NSHDSACASA-N -1 3 386.416 -1.501 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001588353433 1076060399 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GAEDHM C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588354715 1076062030 /nfs/dbraw/zinc/06/20/30/1076062030.db2.gz WYVVAVDBUCBKQL-QGZVFWFLSA-N -1 3 386.416 -1.499 20 30 GAEDHM C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588354715 1076062024 /nfs/dbraw/zinc/06/20/24/1076062024.db2.gz WYVVAVDBUCBKQL-QGZVFWFLSA-N -1 3 386.416 -1.499 20 30 GAEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588354946 1076061981 /nfs/dbraw/zinc/06/19/81/1076061981.db2.gz BFASUIJDWFNLNX-CMPLNLGQSA-N -1 3 375.389 -1.218 20 30 GAEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588354946 1076061978 /nfs/dbraw/zinc/06/19/78/1076061978.db2.gz BFASUIJDWFNLNX-CMPLNLGQSA-N -1 3 375.389 -1.218 20 30 GAEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588354947 1076062047 /nfs/dbraw/zinc/06/20/47/1076062047.db2.gz BFASUIJDWFNLNX-JQWIXIFHSA-N -1 3 375.389 -1.218 20 30 GAEDHM 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C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588358317 1076062367 /nfs/dbraw/zinc/06/23/67/1076062367.db2.gz VUMNRDVNILOLSR-PWSUYJOCSA-N -1 3 375.389 -1.218 20 30 GAEDHM C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588358317 1076062363 /nfs/dbraw/zinc/06/23/63/1076062363.db2.gz VUMNRDVNILOLSR-PWSUYJOCSA-N -1 3 375.389 -1.218 20 30 GAEDHM C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588358319 1076062357 /nfs/dbraw/zinc/06/23/57/1076062357.db2.gz VUMNRDVNILOLSR-ZYHUDNBSSA-N -1 3 375.389 -1.218 20 30 GAEDHM C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588358319 1076062352 /nfs/dbraw/zinc/06/23/52/1076062352.db2.gz VUMNRDVNILOLSR-ZYHUDNBSSA-N -1 3 375.389 -1.218 20 30 GAEDHM C#CCOCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588359140 1076062341 /nfs/dbraw/zinc/06/23/41/1076062341.db2.gz HXBDALXFLYBABV-UHFFFAOYSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588359140 1076062339 /nfs/dbraw/zinc/06/23/39/1076062339.db2.gz HXBDALXFLYBABV-UHFFFAOYSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001588359442 1076062422 /nfs/dbraw/zinc/06/24/22/1076062422.db2.gz ONBXLUOZVBHPIB-GXTWGEPZSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001588359442 1076062412 /nfs/dbraw/zinc/06/24/12/1076062412.db2.gz ONBXLUOZVBHPIB-GXTWGEPZSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001588359443 1076062311 /nfs/dbraw/zinc/06/23/11/1076062311.db2.gz ONBXLUOZVBHPIB-JSGCOSHPSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001588359443 1076062309 /nfs/dbraw/zinc/06/23/09/1076062309.db2.gz ONBXLUOZVBHPIB-JSGCOSHPSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001588359444 1076062464 /nfs/dbraw/zinc/06/24/64/1076062464.db2.gz ONBXLUOZVBHPIB-OCCSQVGLSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001588359444 1076062456 /nfs/dbraw/zinc/06/24/56/1076062456.db2.gz ONBXLUOZVBHPIB-OCCSQVGLSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001588359445 1076062334 /nfs/dbraw/zinc/06/23/34/1076062334.db2.gz ONBXLUOZVBHPIB-TZMCWYRMSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001588359445 1076062332 /nfs/dbraw/zinc/06/23/32/1076062332.db2.gz ONBXLUOZVBHPIB-TZMCWYRMSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588359701 1076062485 /nfs/dbraw/zinc/06/24/85/1076062485.db2.gz AJJLWHLDKOMMHA-GFCCVEGCSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588359701 1076062479 /nfs/dbraw/zinc/06/24/79/1076062479.db2.gz AJJLWHLDKOMMHA-GFCCVEGCSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588359705 1076062348 /nfs/dbraw/zinc/06/23/48/1076062348.db2.gz AJJLWHLDKOMMHA-LBPRGKRZSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588359705 1076062345 /nfs/dbraw/zinc/06/23/45/1076062345.db2.gz AJJLWHLDKOMMHA-LBPRGKRZSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588359859 1076062840 /nfs/dbraw/zinc/06/28/40/1076062840.db2.gz ZKQLIQGPPOVQET-KRWDZBQOSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588359859 1076062834 /nfs/dbraw/zinc/06/28/34/1076062834.db2.gz ZKQLIQGPPOVQET-KRWDZBQOSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588359860 1076063017 /nfs/dbraw/zinc/06/30/17/1076063017.db2.gz ZKQLIQGPPOVQET-QGZVFWFLSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588359860 1076063015 /nfs/dbraw/zinc/06/30/15/1076063015.db2.gz ZKQLIQGPPOVQET-QGZVFWFLSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588359970 1076063046 /nfs/dbraw/zinc/06/30/46/1076063046.db2.gz DMFDPCNSIQRCIE-UHFFFAOYSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588359970 1076063044 /nfs/dbraw/zinc/06/30/44/1076063044.db2.gz DMFDPCNSIQRCIE-UHFFFAOYSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588359998 1076062925 /nfs/dbraw/zinc/06/29/25/1076062925.db2.gz FKBQFJWVYVVBDB-GFCCVEGCSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588359998 1076062917 /nfs/dbraw/zinc/06/29/17/1076062917.db2.gz FKBQFJWVYVVBDB-GFCCVEGCSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588359999 1076062800 /nfs/dbraw/zinc/06/28/00/1076062800.db2.gz FKBQFJWVYVVBDB-LBPRGKRZSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588359999 1076062794 /nfs/dbraw/zinc/06/27/94/1076062794.db2.gz FKBQFJWVYVVBDB-LBPRGKRZSA-N -1 3 375.389 -1.216 20 30 GAEDHM C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588360504 1076063026 /nfs/dbraw/zinc/06/30/26/1076063026.db2.gz REFQQMIEFWZBGL-UHFFFAOYSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588360504 1076063025 /nfs/dbraw/zinc/06/30/25/1076063025.db2.gz REFQQMIEFWZBGL-UHFFFAOYSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588361465 1076062862 /nfs/dbraw/zinc/06/28/62/1076062862.db2.gz NNYDPOFBCJDPEL-KRWDZBQOSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588361465 1076062855 /nfs/dbraw/zinc/06/28/55/1076062855.db2.gz NNYDPOFBCJDPEL-KRWDZBQOSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588361466 1076063006 /nfs/dbraw/zinc/06/30/06/1076063006.db2.gz NNYDPOFBCJDPEL-QGZVFWFLSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588361466 1076063001 /nfs/dbraw/zinc/06/30/01/1076063001.db2.gz NNYDPOFBCJDPEL-QGZVFWFLSA-N -1 3 387.400 -1.072 20 30 GAEDHM C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001588362196 1076062907 /nfs/dbraw/zinc/06/29/07/1076062907.db2.gz YANWVXPUONINJY-BXUZGUMPSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001588362196 1076062902 /nfs/dbraw/zinc/06/29/02/1076062902.db2.gz YANWVXPUONINJY-BXUZGUMPSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001588362198 1076062941 /nfs/dbraw/zinc/06/29/41/1076062941.db2.gz YANWVXPUONINJY-FZMZJTMJSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001588362198 1076062936 /nfs/dbraw/zinc/06/29/36/1076062936.db2.gz YANWVXPUONINJY-FZMZJTMJSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001588362200 1076062785 /nfs/dbraw/zinc/06/27/85/1076062785.db2.gz YANWVXPUONINJY-RISCZKNCSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001588362200 1076062779 /nfs/dbraw/zinc/06/27/79/1076062779.db2.gz YANWVXPUONINJY-RISCZKNCSA-N -1 3 387.400 -1.074 20 30 GAEDHM C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001588362202 1076063055 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384.400 -1.324 20 30 GAEDHM C#CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001588457920 983482827 /nfs/dbraw/zinc/48/28/27/983482827.db2.gz JRGZERQROLMLDK-KBPBESRZSA-N -1 3 379.413 -1.125 20 30 GAEDHM C#CCN(C(=O)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1)C1CCN(C)CC1 ZINC001588457921 983482839 /nfs/dbraw/zinc/48/28/39/983482839.db2.gz JRGZERQROLMLDK-KGLIPLIRSA-N -1 3 379.413 -1.125 20 30 GAEDHM C#CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001588457922 983482887 /nfs/dbraw/zinc/48/28/87/983482887.db2.gz JRGZERQROLMLDK-UONOGXRCSA-N -1 3 379.413 -1.125 20 30 GAEDHM C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1)C1CCN(C)CC1 ZINC001588457923 983482944 /nfs/dbraw/zinc/48/29/44/983482944.db2.gz JRGZERQROLMLDK-ZIAGYGMSSA-N -1 3 379.413 -1.125 20 30 GAEDHM C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588500163 1076062821 /nfs/dbraw/zinc/06/28/21/1076062821.db2.gz RXIPGKZVVILDOO-HNNXBMFYSA-N -1 3 375.389 -1.175 20 30 GAEDHM C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588500163 1076062817 /nfs/dbraw/zinc/06/28/17/1076062817.db2.gz RXIPGKZVVILDOO-HNNXBMFYSA-N -1 3 375.389 -1.175 20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588500164 1076063470 /nfs/dbraw/zinc/06/34/70/1076063470.db2.gz RXIPGKZVVILDOO-OAHLLOKOSA-N -1 3 375.389 -1.175 20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588500164 1076063466 /nfs/dbraw/zinc/06/34/66/1076063466.db2.gz RXIPGKZVVILDOO-OAHLLOKOSA-N -1 3 375.389 -1.175 20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001588500782 1076063413 /nfs/dbraw/zinc/06/34/13/1076063413.db2.gz DCWVHEKHMRXDHR-BFQNTYOBSA-N -1 3 375.389 -1.177 20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001588500782 1076063409 /nfs/dbraw/zinc/06/34/09/1076063409.db2.gz DCWVHEKHMRXDHR-BFQNTYOBSA-N -1 3 375.389 -1.177 20 30 GAEDHM 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20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588500785 1076063419 /nfs/dbraw/zinc/06/34/19/1076063419.db2.gz DCWVHEKHMRXDHR-XHBSWPGZSA-N -1 3 375.389 -1.177 20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001588500966 1076063265 /nfs/dbraw/zinc/06/32/65/1076063265.db2.gz HGAJGNQFJBGOMR-BFQNTYOBSA-N -1 3 375.389 -1.177 20 30 GAEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001588500966 1076063253 /nfs/dbraw/zinc/06/32/53/1076063253.db2.gz HGAJGNQFJBGOMR-BFQNTYOBSA-N -1 3 375.389 -1.177 20 30 GAEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588500967 1076063355 /nfs/dbraw/zinc/06/33/55/1076063355.db2.gz HGAJGNQFJBGOMR-HSMVNMDESA-N -1 3 375.389 -1.177 20 30 GAEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588500967 1076063351 /nfs/dbraw/zinc/06/33/51/1076063351.db2.gz HGAJGNQFJBGOMR-HSMVNMDESA-N -1 3 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C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001588713205 1076064134 /nfs/dbraw/zinc/06/41/34/1076064134.db2.gz HSTXVTNJVJMJEQ-DGCLKSJQSA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001588713455 1076064296 /nfs/dbraw/zinc/06/42/96/1076064296.db2.gz LPBPNZGUNBBMNV-DGCLKSJQSA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001588713455 1076064291 /nfs/dbraw/zinc/06/42/91/1076064291.db2.gz LPBPNZGUNBBMNV-DGCLKSJQSA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)nn1 ZINC001588713456 1076064014 /nfs/dbraw/zinc/06/40/14/1076064014.db2.gz LPBPNZGUNBBMNV-YPMHNXCESA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)nn1 ZINC001588713456 1076064010 /nfs/dbraw/zinc/06/40/10/1076064010.db2.gz LPBPNZGUNBBMNV-YPMHNXCESA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)nn1 ZINC001588713561 1076064732 /nfs/dbraw/zinc/06/47/32/1076064732.db2.gz NBTUXOMJYFRCAD-YPMHNXCESA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)nn1 ZINC001588713561 1076064725 /nfs/dbraw/zinc/06/47/25/1076064725.db2.gz NBTUXOMJYFRCAD-YPMHNXCESA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)nn1 ZINC001588713782 1076064551 /nfs/dbraw/zinc/06/45/51/1076064551.db2.gz TYDQZEHXEDAUGR-DGCLKSJQSA-N -1 3 398.387 -1.412 20 30 GAEDHM C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)nn1 ZINC001588713782 1076064548 /nfs/dbraw/zinc/06/45/48/1076064548.db2.gz TYDQZEHXEDAUGR-DGCLKSJQSA-N -1 3 398.387 -1.412 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588721841 1076064517 /nfs/dbraw/zinc/06/45/17/1076064517.db2.gz OYWVIXASCFUXPG-BREBYQMCSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588721841 1076064515 /nfs/dbraw/zinc/06/45/15/1076064515.db2.gz OYWVIXASCFUXPG-BREBYQMCSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588721842 1076064711 /nfs/dbraw/zinc/06/47/11/1076064711.db2.gz OYWVIXASCFUXPG-CWSCBRNRSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588721842 1076064705 /nfs/dbraw/zinc/06/47/05/1076064705.db2.gz OYWVIXASCFUXPG-CWSCBRNRSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588722505 1076064506 /nfs/dbraw/zinc/06/45/06/1076064506.db2.gz YLWIHTFUUDLNEA-LOWVWBTDSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588722505 1076064502 /nfs/dbraw/zinc/06/45/02/1076064502.db2.gz YLWIHTFUUDLNEA-LOWVWBTDSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588722507 1076064562 /nfs/dbraw/zinc/06/45/62/1076064562.db2.gz YLWIHTFUUDLNEA-WZRBSPASSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588722507 1076064559 /nfs/dbraw/zinc/06/45/59/1076064559.db2.gz YLWIHTFUUDLNEA-WZRBSPASSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588723272 1076064605 /nfs/dbraw/zinc/06/46/05/1076064605.db2.gz JVBGRWFIYGVFHR-LOWVWBTDSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588723272 1076064601 /nfs/dbraw/zinc/06/46/01/1076064601.db2.gz JVBGRWFIYGVFHR-LOWVWBTDSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588723273 1076064524 /nfs/dbraw/zinc/06/45/24/1076064524.db2.gz JVBGRWFIYGVFHR-WZRBSPASSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588723273 1076064523 /nfs/dbraw/zinc/06/45/23/1076064523.db2.gz JVBGRWFIYGVFHR-WZRBSPASSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588723299 1076064672 /nfs/dbraw/zinc/06/46/72/1076064672.db2.gz KOPGCRQITHFSOQ-LOWVWBTDSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588723299 1076064667 /nfs/dbraw/zinc/06/46/67/1076064667.db2.gz KOPGCRQITHFSOQ-LOWVWBTDSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588723300 1076064589 /nfs/dbraw/zinc/06/45/89/1076064589.db2.gz KOPGCRQITHFSOQ-WZRBSPASSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588723300 1076064583 /nfs/dbraw/zinc/06/45/83/1076064583.db2.gz KOPGCRQITHFSOQ-WZRBSPASSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588723421 1076064622 /nfs/dbraw/zinc/06/46/22/1076064622.db2.gz MXBYAJZKXMAYOE-BREBYQMCSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588723421 1076064616 /nfs/dbraw/zinc/06/46/16/1076064616.db2.gz MXBYAJZKXMAYOE-BREBYQMCSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588723424 1076064545 /nfs/dbraw/zinc/06/45/45/1076064545.db2.gz MXBYAJZKXMAYOE-CWSCBRNRSA-N -1 3 375.389 -1.007 20 30 GAEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588723424 1076064542 /nfs/dbraw/zinc/06/45/42/1076064542.db2.gz MXBYAJZKXMAYOE-CWSCBRNRSA-N -1 3 375.389 -1.007 20 30 GAEDHM CC(C)CN1CCO[C@H](CNC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)C1 ZINC001589633290 1076071548 /nfs/dbraw/zinc/07/15/48/1076071548.db2.gz VJEUFBUWZRVJLC-LLVKDONJSA-N -1 3 388.436 -1.010 20 30 GAEDHM CC(C)CN1CCO[C@H](CNC(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)C1 ZINC001589633290 1076071541 /nfs/dbraw/zinc/07/15/41/1076071541.db2.gz VJEUFBUWZRVJLC-LLVKDONJSA-N -1 3 388.436 -1.010 20 30 GAEDHM CC(C)CN1CCO[C@@H](CNC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)C1 ZINC001589633291 1076071711 /nfs/dbraw/zinc/07/17/11/1076071711.db2.gz VJEUFBUWZRVJLC-NSHDSACASA-N -1 3 388.436 -1.010 20 30 GAEDHM CC(C)CN1CCO[C@@H](CNC(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)C1 ZINC001589633291 1076071705 /nfs/dbraw/zinc/07/17/05/1076071705.db2.gz VJEUFBUWZRVJLC-NSHDSACASA-N -1 3 388.436 -1.010 20 30 GAEDHM CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591038671 1076110576 /nfs/dbraw/zinc/11/05/76/1076110576.db2.gz JXJVZRSQGYQXGX-LLVKDONJSA-N -1 3 375.393 -1.801 20 30 GAEDHM CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591038671 1076110574 /nfs/dbraw/zinc/11/05/74/1076110574.db2.gz JXJVZRSQGYQXGX-LLVKDONJSA-N -1 3 375.393 -1.801 20 30 GAEDHM CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591038672 1076110506 /nfs/dbraw/zinc/11/05/06/1076110506.db2.gz JXJVZRSQGYQXGX-NSHDSACASA-N -1 3 375.393 -1.801 20 30 GAEDHM CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591038672 1076110503 /nfs/dbraw/zinc/11/05/03/1076110503.db2.gz JXJVZRSQGYQXGX-NSHDSACASA-N -1 3 375.393 -1.801 20 30 GAEDHM CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591038779 1076110405 /nfs/dbraw/zinc/11/04/05/1076110405.db2.gz SDYISGWWYPWMAJ-JTQLQIEISA-N -1 3 375.393 -1.801 20 30 GAEDHM CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591038780 1076110361 /nfs/dbraw/zinc/11/03/61/1076110361.db2.gz SDYISGWWYPWMAJ-SNVBAGLBSA-N -1 3 375.393 -1.801 20 30 GAEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001592341231 1076180390 /nfs/dbraw/zinc/18/03/90/1076180390.db2.gz SYDUAFYREFOYPT-UHFFFAOYSA-N -1 3 393.433 -1.217 20 30 GAEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001592341231 1076180387 /nfs/dbraw/zinc/18/03/87/1076180387.db2.gz SYDUAFYREFOYPT-UHFFFAOYSA-N -1 3 393.433 -1.217 20 30 GAEDHM Cn1c(C#N)ccc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001592545847 1076185339 /nfs/dbraw/zinc/18/53/39/1076185339.db2.gz FRZVEDNBXRBZNJ-JTQLQIEISA-N -1 3 397.399 -1.064 20 30 GAEDHM Cn1c(C#N)ccc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001592545847 1076185334 /nfs/dbraw/zinc/18/53/34/1076185334.db2.gz FRZVEDNBXRBZNJ-JTQLQIEISA-N -1 3 397.399 -1.064 20 30 GAEDHM Cn1c(C#N)ccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001592546236 1076185760 /nfs/dbraw/zinc/18/57/60/1076185760.db2.gz MLQGNWGYUBRBKI-JTQLQIEISA-N -1 3 397.399 -1.064 20 30 GAEDHM Cn1c(C#N)ccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001592546236 1076185758 /nfs/dbraw/zinc/18/57/58/1076185758.db2.gz MLQGNWGYUBRBKI-JTQLQIEISA-N -1 3 397.399 -1.064 20 30 GAEDHM Cn1c(=O)c(C#N)c(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)n(C)c1=O ZINC001592553359 1076186868 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DGXLENDPVMMQOG-YNEHKIRRSA-N -1 3 376.398 -1.177 20 30 GAEDHM N#C[C@H]1CN(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC001592672070 1076195658 /nfs/dbraw/zinc/19/56/58/1076195658.db2.gz WPLZDIBQOSJSOI-JTQLQIEISA-N -1 3 379.406 -1.268 20 30 GAEDHM N#C[C@H]1CN(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC001592672070 1076195653 /nfs/dbraw/zinc/19/56/53/1076195653.db2.gz WPLZDIBQOSJSOI-JTQLQIEISA-N -1 3 379.406 -1.268 20 30 GAEDHM N#C[C@@H]1CN(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC001592672072 1076195694 /nfs/dbraw/zinc/19/56/94/1076195694.db2.gz WPLZDIBQOSJSOI-SNVBAGLBSA-N -1 3 379.406 -1.268 20 30 GAEDHM N#C[C@@H]1CN(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC001592672072 1076195690 /nfs/dbraw/zinc/19/56/90/1076195690.db2.gz WPLZDIBQOSJSOI-SNVBAGLBSA-N -1 3 379.406 -1.268 20 30 GAEDHM N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592673172 1076195914 /nfs/dbraw/zinc/19/59/14/1076195914.db2.gz ACFOPSBNNWMQTA-UHFFFAOYSA-N -1 3 377.386 -1.368 20 30 GAEDHM N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592673172 1076195912 /nfs/dbraw/zinc/19/59/12/1076195912.db2.gz ACFOPSBNNWMQTA-UHFFFAOYSA-N -1 3 377.386 -1.368 20 30 GAEDHM N#CCNC(=O)CNC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001592677272 1076196269 /nfs/dbraw/zinc/19/62/69/1076196269.db2.gz ANGUBGXATDDXMU-CYBMUJFWSA-N -1 3 397.399 -1.093 20 30 GAEDHM N#CCNC(=O)CNC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001592677272 1076196266 /nfs/dbraw/zinc/19/62/66/1076196266.db2.gz ANGUBGXATDDXMU-CYBMUJFWSA-N -1 3 397.399 -1.093 20 30 GAEDHM N#CCNC(=O)CNC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001592677274 1076196256 /nfs/dbraw/zinc/19/62/56/1076196256.db2.gz ANGUBGXATDDXMU-ZDUSSCGKSA-N -1 3 397.399 -1.093 20 30 GAEDHM N#CCNC(=O)CNC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001592677274 1076196253 /nfs/dbraw/zinc/19/62/53/1076196253.db2.gz ANGUBGXATDDXMU-ZDUSSCGKSA-N -1 3 397.399 -1.093 20 30 GAEDHM N#CCN1CCC(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592677423 1076196293 /nfs/dbraw/zinc/19/62/93/1076196293.db2.gz LZRQGZGLKCUROK-UHFFFAOYSA-N -1 3 398.431 -1.106 20 30 GAEDHM N#CCN1CCC(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592677423 1076196290 /nfs/dbraw/zinc/19/62/90/1076196290.db2.gz LZRQGZGLKCUROK-UHFFFAOYSA-N -1 3 398.431 -1.106 20 30 GAEDHM N#CCN1CCC(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001592677481 1076196100 /nfs/dbraw/zinc/19/61/00/1076196100.db2.gz MWGAZYMILCGYIV-UHFFFAOYSA-N -1 3 398.431 -1.106 20 30 GAEDHM N#CCN1CCC(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001592677481 1076196095 /nfs/dbraw/zinc/19/60/95/1076196095.db2.gz MWGAZYMILCGYIV-UHFFFAOYSA-N -1 3 398.431 -1.106 20 30 GAEDHM N#CCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001592677877 1076196135 /nfs/dbraw/zinc/19/61/35/1076196135.db2.gz KUPIBKOSGGYFQB-NWDGAFQWSA-N -1 3 376.402 -1.358 20 30 GAEDHM N#CCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001592677877 1076196130 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/nfs/dbraw/zinc/27/24/20/1076272420.db2.gz CWIMKRDAFARATB-GWCFXTLKSA-N -1 3 384.400 -1.089 20 30 GAEDHM C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001602722149 1076272384 /nfs/dbraw/zinc/27/23/84/1076272384.db2.gz CWIMKRDAFARATB-GXFFZTMASA-N -1 3 384.400 -1.089 20 30 GAEDHM C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001602722149 1076272378 /nfs/dbraw/zinc/27/23/78/1076272378.db2.gz CWIMKRDAFARATB-GXFFZTMASA-N -1 3 384.400 -1.089 20 30 GAEDHM C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001602722150 1076272226 /nfs/dbraw/zinc/27/22/26/1076272226.db2.gz CWIMKRDAFARATB-MFKMUULPSA-N -1 3 384.400 -1.089 20 30 GAEDHM C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001602722150 1076272220 /nfs/dbraw/zinc/27/22/20/1076272220.db2.gz CWIMKRDAFARATB-MFKMUULPSA-N -1 3 384.400 -1.089 20 30 GAEDHM C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001602722151 1076272273 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-1 3 399.455 -1.027 20 30 GAEDHM C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001602722447 1076272401 /nfs/dbraw/zinc/27/24/01/1076272401.db2.gz ROYYBFGKKNMQKU-OAHLLOKOSA-N -1 3 399.455 -1.027 20 30 GAEDHM C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001602722447 1076272399 /nfs/dbraw/zinc/27/23/99/1076272399.db2.gz ROYYBFGKKNMQKU-OAHLLOKOSA-N -1 3 399.455 -1.027 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](OC)C1 ZINC001602722480 1076272331 /nfs/dbraw/zinc/27/23/31/1076272331.db2.gz UEZJBMCFZMJGIG-LERXQTSPSA-N -1 3 386.416 -1.238 20 30 GAEDHM C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](OC)C1 ZINC001602722480 1076272327 /nfs/dbraw/zinc/27/23/27/1076272327.db2.gz UEZJBMCFZMJGIG-LERXQTSPSA-N -1 3 386.416 -1.238 20 30 GAEDHM C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](OC)C1 ZINC001602722481 1076272456 /nfs/dbraw/zinc/27/24/56/1076272456.db2.gz UEZJBMCFZMJGIG-ZLKJLUDKSA-N -1 3 386.416 -1.238 20 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