smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000027430093 1069341204 /nfs/dbraw/zinc/34/12/04/1069341204.db2.gz JIXKBOGLGQTYHB-UHFFFAOYSA-N 2 1 463.604 0.728 20 0 JCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000029190903 1069355609 /nfs/dbraw/zinc/35/56/09/1069355609.db2.gz PNXHJLFKGKKYEG-UHFFFAOYSA-N 2 1 451.593 0.585 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000068834248 1069448261 /nfs/dbraw/zinc/44/82/61/1069448261.db2.gz OOLJWQOKXZOACL-LJQANCHMSA-N 2 1 488.676 0.744 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000068834254 1069448300 /nfs/dbraw/zinc/44/83/00/1069448300.db2.gz OOLJWQOKXZOACL-IBGZPJMESA-N 2 1 488.676 0.744 20 0 JCADMP CS(=O)(=O)N[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000110181421 1069482643 /nfs/dbraw/zinc/48/26/43/1069482643.db2.gz YKOPVEYZIZTJRG-PMACEKPBSA-N 2 1 458.650 0.714 20 0 JCADMP CS(=O)(=O)N[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000110181421 1069482640 /nfs/dbraw/zinc/48/26/40/1069482640.db2.gz YKOPVEYZIZTJRG-PMACEKPBSA-N 2 1 458.650 0.714 20 0 JCADMP CS(=O)(=O)N[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000228663404 1069559189 /nfs/dbraw/zinc/55/91/89/1069559189.db2.gz YKOPVEYZIZTJRG-WOJBJXKFSA-N 2 1 458.650 0.714 20 0 JCADMP CS(=O)(=O)N[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000228663404 1069559176 /nfs/dbraw/zinc/55/91/76/1069559176.db2.gz YKOPVEYZIZTJRG-WOJBJXKFSA-N 2 1 458.650 0.714 20 0 JCADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000410401096 1070400061 /nfs/dbraw/zinc/40/00/61/1070400061.db2.gz NHQYQMPSAOSZGS-UHFFFAOYSA-N 2 1 466.586 0.927 20 0 JCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000480917985 1070169812 /nfs/dbraw/zinc/16/98/12/1070169812.db2.gz QUQGOCZJTUVHCY-GOSISDBHSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000480917985 1070169805 /nfs/dbraw/zinc/16/98/05/1070169805.db2.gz QUQGOCZJTUVHCY-GOSISDBHSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000480917986 1070169451 /nfs/dbraw/zinc/16/94/51/1070169451.db2.gz QUQGOCZJTUVHCY-SFHVURJKSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000480917986 1070169440 /nfs/dbraw/zinc/16/94/40/1070169440.db2.gz QUQGOCZJTUVHCY-SFHVURJKSA-N 2 1 465.620 0.942 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2)CC1 ZINC000480918134 1070169788 /nfs/dbraw/zinc/16/97/88/1070169788.db2.gz SDCWZSHGZGZVPV-KRWDZBQOSA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000480918134 1070169779 /nfs/dbraw/zinc/16/97/79/1070169779.db2.gz SDCWZSHGZGZVPV-KRWDZBQOSA-N 2 1 463.604 0.552 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)c2)CC1 ZINC000480918134 1070169772 /nfs/dbraw/zinc/16/97/72/1070169772.db2.gz SDCWZSHGZGZVPV-KRWDZBQOSA-N 2 1 463.604 0.552 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)c2)CC1 ZINC000480918134 1070169762 /nfs/dbraw/zinc/16/97/62/1070169762.db2.gz SDCWZSHGZGZVPV-KRWDZBQOSA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2)CC1 ZINC000480918135 1070169520 /nfs/dbraw/zinc/16/95/20/1070169520.db2.gz SDCWZSHGZGZVPV-QGZVFWFLSA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000480918135 1070169512 /nfs/dbraw/zinc/16/95/12/1070169512.db2.gz SDCWZSHGZGZVPV-QGZVFWFLSA-N 2 1 463.604 0.552 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)c2)CC1 ZINC000480918135 1070169503 /nfs/dbraw/zinc/16/95/03/1070169503.db2.gz SDCWZSHGZGZVPV-QGZVFWFLSA-N 2 1 463.604 0.552 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)c2)CC1 ZINC000480918135 1070169492 /nfs/dbraw/zinc/16/94/92/1070169492.db2.gz SDCWZSHGZGZVPV-QGZVFWFLSA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)CC1 ZINC000480943383 1070170573 /nfs/dbraw/zinc/17/05/73/1070170573.db2.gz CMPNXXRRGFKNHZ-PMACEKPBSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)CC1 ZINC000480943383 1070170567 /nfs/dbraw/zinc/17/05/67/1070170567.db2.gz CMPNXXRRGFKNHZ-PMACEKPBSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)c2)CC1 ZINC000480943383 1070170558 /nfs/dbraw/zinc/17/05/58/1070170558.db2.gz CMPNXXRRGFKNHZ-PMACEKPBSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)c2)CC1 ZINC000480943383 1070170546 /nfs/dbraw/zinc/17/05/46/1070170546.db2.gz CMPNXXRRGFKNHZ-PMACEKPBSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)CC1 ZINC000480943387 1070170484 /nfs/dbraw/zinc/17/04/84/1070170484.db2.gz CMPNXXRRGFKNHZ-UXHICEINSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)CC1 ZINC000480943387 1070170474 /nfs/dbraw/zinc/17/04/74/1070170474.db2.gz CMPNXXRRGFKNHZ-UXHICEINSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)c2)CC1 ZINC000480943387 1070170469 /nfs/dbraw/zinc/17/04/69/1070170469.db2.gz CMPNXXRRGFKNHZ-UXHICEINSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)c2)CC1 ZINC000480943387 1070170459 /nfs/dbraw/zinc/17/04/59/1070170459.db2.gz CMPNXXRRGFKNHZ-UXHICEINSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)c2)CC1 ZINC000480943390 1070170813 /nfs/dbraw/zinc/17/08/13/1070170813.db2.gz CMPNXXRRGFKNHZ-VQTJNVASSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)CC1 ZINC000480943390 1070170802 /nfs/dbraw/zinc/17/08/02/1070170802.db2.gz CMPNXXRRGFKNHZ-VQTJNVASSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)c2)CC1 ZINC000480943390 1070170798 /nfs/dbraw/zinc/17/07/98/1070170798.db2.gz CMPNXXRRGFKNHZ-VQTJNVASSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)c2)CC1 ZINC000480943390 1070170793 /nfs/dbraw/zinc/17/07/93/1070170793.db2.gz CMPNXXRRGFKNHZ-VQTJNVASSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2)CC1 ZINC000480943392 1070170923 /nfs/dbraw/zinc/17/09/23/1070170923.db2.gz CMPNXXRRGFKNHZ-WOJBJXKFSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)CC1 ZINC000480943392 1070170914 /nfs/dbraw/zinc/17/09/14/1070170914.db2.gz CMPNXXRRGFKNHZ-WOJBJXKFSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)c2)CC1 ZINC000480943392 1070170900 /nfs/dbraw/zinc/17/09/00/1070170900.db2.gz CMPNXXRRGFKNHZ-WOJBJXKFSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)c2)CC1 ZINC000480943392 1070170888 /nfs/dbraw/zinc/17/08/88/1070170888.db2.gz CMPNXXRRGFKNHZ-WOJBJXKFSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000480944212 1070171049 /nfs/dbraw/zinc/17/10/49/1070171049.db2.gz CXCDAGRNYCNXDC-UHFFFAOYSA-N 2 1 451.593 0.504 20 0 JCADMP C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000480944212 1070171038 /nfs/dbraw/zinc/17/10/38/1070171038.db2.gz CXCDAGRNYCNXDC-UHFFFAOYSA-N 2 1 451.593 0.504 20 0 JCADMP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000480973187 1070172863 /nfs/dbraw/zinc/17/28/63/1070172863.db2.gz BOMPSGSAGLMVIY-UHFFFAOYSA-N 2 1 465.620 0.752 20 0 JCADMP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000480973187 1070172852 /nfs/dbraw/zinc/17/28/52/1070172852.db2.gz BOMPSGSAGLMVIY-UHFFFAOYSA-N 2 1 465.620 0.752 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000480988541 1070172924 /nfs/dbraw/zinc/17/29/24/1070172924.db2.gz VMDXKYFVXMPBNJ-UHFFFAOYSA-N 2 1 477.631 0.942 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000480988541 1070172917 /nfs/dbraw/zinc/17/29/17/1070172917.db2.gz VMDXKYFVXMPBNJ-UHFFFAOYSA-N 2 1 477.631 0.942 20 0 JCADMP COCC[NH+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481003795 1070173769 /nfs/dbraw/zinc/17/37/69/1070173769.db2.gz ANBQYXSDPUSGNI-UHFFFAOYSA-N 2 1 469.608 0.036 20 0 JCADMP COCC[NH+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481003795 1070173764 /nfs/dbraw/zinc/17/37/64/1070173764.db2.gz ANBQYXSDPUSGNI-UHFFFAOYSA-N 2 1 469.608 0.036 20 0 JCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481003795 1070173759 /nfs/dbraw/zinc/17/37/59/1070173759.db2.gz ANBQYXSDPUSGNI-UHFFFAOYSA-N 2 1 469.608 0.036 20 0 JCADMP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481003795 1070173754 /nfs/dbraw/zinc/17/37/54/1070173754.db2.gz ANBQYXSDPUSGNI-UHFFFAOYSA-N 2 1 469.608 0.036 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000481106474 1070177370 /nfs/dbraw/zinc/17/73/70/1070177370.db2.gz NDNNHKYFDJXTBF-MOPGFXCFSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000481106474 1070177363 /nfs/dbraw/zinc/17/73/63/1070177363.db2.gz NDNNHKYFDJXTBF-MOPGFXCFSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)c2)CC1 ZINC000481106474 1070177361 /nfs/dbraw/zinc/17/73/61/1070177361.db2.gz NDNNHKYFDJXTBF-MOPGFXCFSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)c2)CC1 ZINC000481106474 1070177357 /nfs/dbraw/zinc/17/73/57/1070177357.db2.gz NDNNHKYFDJXTBF-MOPGFXCFSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000481106475 1070177591 /nfs/dbraw/zinc/17/75/91/1070177591.db2.gz NDNNHKYFDJXTBF-OALUTQOASA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000481106475 1070177589 /nfs/dbraw/zinc/17/75/89/1070177589.db2.gz NDNNHKYFDJXTBF-OALUTQOASA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)c2)CC1 ZINC000481106475 1070177582 /nfs/dbraw/zinc/17/75/82/1070177582.db2.gz NDNNHKYFDJXTBF-OALUTQOASA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)c2)CC1 ZINC000481106475 1070177576 /nfs/dbraw/zinc/17/75/76/1070177576.db2.gz NDNNHKYFDJXTBF-OALUTQOASA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106477 1070177560 /nfs/dbraw/zinc/17/75/60/1070177560.db2.gz NDNNHKYFDJXTBF-RBUKOAKNSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106477 1070177556 /nfs/dbraw/zinc/17/75/56/1070177556.db2.gz NDNNHKYFDJXTBF-RBUKOAKNSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106477 1070177550 /nfs/dbraw/zinc/17/75/50/1070177550.db2.gz NDNNHKYFDJXTBF-RBUKOAKNSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106477 1070177546 /nfs/dbraw/zinc/17/75/46/1070177546.db2.gz NDNNHKYFDJXTBF-RBUKOAKNSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106479 1070177393 /nfs/dbraw/zinc/17/73/93/1070177393.db2.gz NDNNHKYFDJXTBF-RTBURBONSA-N 2 1 463.604 0.694 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106479 1070177390 /nfs/dbraw/zinc/17/73/90/1070177390.db2.gz NDNNHKYFDJXTBF-RTBURBONSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106479 1070177386 /nfs/dbraw/zinc/17/73/86/1070177386.db2.gz NDNNHKYFDJXTBF-RTBURBONSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCC[C@@H]4C3)c2)CC1 ZINC000481106479 1070177382 /nfs/dbraw/zinc/17/73/82/1070177382.db2.gz NDNNHKYFDJXTBF-RTBURBONSA-N 2 1 463.604 0.694 20 0 JCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C[NH+]1CCCC1 ZINC000481139638 1070178455 /nfs/dbraw/zinc/17/84/55/1070178455.db2.gz RTDODDCIDUWFCD-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C[NH+]1CCCC1 ZINC000481139638 1070178447 /nfs/dbraw/zinc/17/84/47/1070178447.db2.gz RTDODDCIDUWFCD-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C[NH+]1CCCC1 ZINC000481139639 1070178586 /nfs/dbraw/zinc/17/85/86/1070178586.db2.gz RTDODDCIDUWFCD-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C[NH+]1CCCC1 ZINC000481139639 1070178580 /nfs/dbraw/zinc/17/85/80/1070178580.db2.gz RTDODDCIDUWFCD-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481197151 1070180160 /nfs/dbraw/zinc/18/01/60/1070180160.db2.gz GUOBGEYFZYIBIE-UHFFFAOYSA-N 2 1 481.619 0.178 20 0 JCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481197151 1070180153 /nfs/dbraw/zinc/18/01/53/1070180153.db2.gz GUOBGEYFZYIBIE-UHFFFAOYSA-N 2 1 481.619 0.178 20 0 JCADMP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481281686 1070184000 /nfs/dbraw/zinc/18/40/00/1070184000.db2.gz KKCVRRKLSGNWTJ-UHFFFAOYSA-N 2 1 495.646 0.568 20 0 JCADMP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481281686 1070183992 /nfs/dbraw/zinc/18/39/92/1070183992.db2.gz KKCVRRKLSGNWTJ-UHFFFAOYSA-N 2 1 495.646 0.568 20 0 JCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481297379 1070183920 /nfs/dbraw/zinc/18/39/20/1070183920.db2.gz UKVBKHOAMYORGU-KRWDZBQOSA-N 2 1 453.609 0.798 20 0 JCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481297379 1070183914 /nfs/dbraw/zinc/18/39/14/1070183914.db2.gz UKVBKHOAMYORGU-KRWDZBQOSA-N 2 1 453.609 0.798 20 0 JCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481297380 1070184954 /nfs/dbraw/zinc/18/49/54/1070184954.db2.gz UKVBKHOAMYORGU-QGZVFWFLSA-N 2 1 453.609 0.798 20 0 JCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481297380 1070184949 /nfs/dbraw/zinc/18/49/49/1070184949.db2.gz UKVBKHOAMYORGU-QGZVFWFLSA-N 2 1 453.609 0.798 20 0 JCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481323630 1070186073 /nfs/dbraw/zinc/18/60/73/1070186073.db2.gz NKWNAEHIULTVOR-FQEVSTJZSA-N 2 1 495.646 0.521 20 0 JCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481323630 1070186070 /nfs/dbraw/zinc/18/60/70/1070186070.db2.gz NKWNAEHIULTVOR-FQEVSTJZSA-N 2 1 495.646 0.521 20 0 JCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481323631 1070186005 /nfs/dbraw/zinc/18/60/05/1070186005.db2.gz NKWNAEHIULTVOR-HXUWFJFHSA-N 2 1 495.646 0.521 20 0 JCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481323631 1070186000 /nfs/dbraw/zinc/18/60/00/1070186000.db2.gz NKWNAEHIULTVOR-HXUWFJFHSA-N 2 1 495.646 0.521 20 0 JCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481349826 1070187731 /nfs/dbraw/zinc/18/77/31/1070187731.db2.gz QERSIHYWFCMSCQ-UHFFFAOYSA-N 2 1 465.620 0.894 20 0 JCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481349826 1070187724 /nfs/dbraw/zinc/18/77/24/1070187724.db2.gz QERSIHYWFCMSCQ-UHFFFAOYSA-N 2 1 465.620 0.894 20 0 JCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)CC1 ZINC000481349826 1070187717 /nfs/dbraw/zinc/18/77/17/1070187717.db2.gz QERSIHYWFCMSCQ-UHFFFAOYSA-N 2 1 465.620 0.894 20 0 JCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)CC1 ZINC000481349826 1070187706 /nfs/dbraw/zinc/18/77/06/1070187706.db2.gz QERSIHYWFCMSCQ-UHFFFAOYSA-N 2 1 465.620 0.894 20 0 JCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000481353594 1070188037 /nfs/dbraw/zinc/18/80/37/1070188037.db2.gz WIANELXWIGYLMS-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000481353594 1070188032 /nfs/dbraw/zinc/18/80/32/1070188032.db2.gz WIANELXWIGYLMS-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481353594 1070188020 /nfs/dbraw/zinc/18/80/20/1070188020.db2.gz WIANELXWIGYLMS-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481353594 1070188010 /nfs/dbraw/zinc/18/80/10/1070188010.db2.gz WIANELXWIGYLMS-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000481353596 1070187972 /nfs/dbraw/zinc/18/79/72/1070187972.db2.gz WIANELXWIGYLMS-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000481353596 1070187961 /nfs/dbraw/zinc/18/79/61/1070187961.db2.gz WIANELXWIGYLMS-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481353596 1070187956 /nfs/dbraw/zinc/18/79/56/1070187956.db2.gz WIANELXWIGYLMS-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481353596 1070187950 /nfs/dbraw/zinc/18/79/50/1070187950.db2.gz WIANELXWIGYLMS-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481420447 1070189938 /nfs/dbraw/zinc/18/99/38/1070189938.db2.gz YUICWDACQQCKBI-UHFFFAOYSA-N 2 1 465.620 0.940 20 0 JCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481420447 1070189935 /nfs/dbraw/zinc/18/99/35/1070189935.db2.gz YUICWDACQQCKBI-UHFFFAOYSA-N 2 1 465.620 0.940 20 0 JCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CCCC1 ZINC000481442345 1070191115 /nfs/dbraw/zinc/19/11/15/1070191115.db2.gz GGUGBGGPXOLCEK-UHFFFAOYSA-N 2 1 465.620 0.942 20 0 JCADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CCCC1 ZINC000481442345 1070191109 /nfs/dbraw/zinc/19/11/09/1070191109.db2.gz GGUGBGGPXOLCEK-UHFFFAOYSA-N 2 1 465.620 0.942 20 0 JCADMP CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481442958 1070190896 /nfs/dbraw/zinc/19/08/96/1070190896.db2.gz HERZQECHTZVXQC-UHFFFAOYSA-N 2 1 451.593 0.552 20 0 JCADMP CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481442958 1070190889 /nfs/dbraw/zinc/19/08/89/1070190889.db2.gz HERZQECHTZVXQC-UHFFFAOYSA-N 2 1 451.593 0.552 20 0 JCADMP C[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481447967 1070190928 /nfs/dbraw/zinc/19/09/28/1070190928.db2.gz BMJKCONYLOATJL-GOSISDBHSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481447967 1070190924 /nfs/dbraw/zinc/19/09/24/1070190924.db2.gz BMJKCONYLOATJL-GOSISDBHSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481447967 1070190919 /nfs/dbraw/zinc/19/09/19/1070190919.db2.gz BMJKCONYLOATJL-GOSISDBHSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481447967 1070190916 /nfs/dbraw/zinc/19/09/16/1070190916.db2.gz BMJKCONYLOATJL-GOSISDBHSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481447968 1070191984 /nfs/dbraw/zinc/19/19/84/1070191984.db2.gz BMJKCONYLOATJL-SFHVURJKSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481447968 1070191980 /nfs/dbraw/zinc/19/19/80/1070191980.db2.gz BMJKCONYLOATJL-SFHVURJKSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481447968 1070191973 /nfs/dbraw/zinc/19/19/73/1070191973.db2.gz BMJKCONYLOATJL-SFHVURJKSA-N 2 1 465.620 0.942 20 0 JCADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481447968 1070191968 /nfs/dbraw/zinc/19/19/68/1070191968.db2.gz BMJKCONYLOATJL-SFHVURJKSA-N 2 1 465.620 0.942 20 0 JCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481450698 1070191019 /nfs/dbraw/zinc/19/10/19/1070191019.db2.gz GWHHSEADPGJIDY-IBGZPJMESA-N 2 1 494.662 0.094 20 0 JCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481450698 1070191011 /nfs/dbraw/zinc/19/10/11/1070191011.db2.gz GWHHSEADPGJIDY-IBGZPJMESA-N 2 1 494.662 0.094 20 0 JCADMP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481450703 1070190952 /nfs/dbraw/zinc/19/09/52/1070190952.db2.gz GWHHSEADPGJIDY-LJQANCHMSA-N 2 1 494.662 0.094 20 0 JCADMP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481450703 1070190946 /nfs/dbraw/zinc/19/09/46/1070190946.db2.gz GWHHSEADPGJIDY-LJQANCHMSA-N 2 1 494.662 0.094 20 0 JCADMP CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481452936 1070192084 /nfs/dbraw/zinc/19/20/84/1070192084.db2.gz KUPYLUQXCCURRR-UHFFFAOYSA-N 2 1 465.620 0.799 20 0 JCADMP CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481452936 1070192079 /nfs/dbraw/zinc/19/20/79/1070192079.db2.gz KUPYLUQXCCURRR-UHFFFAOYSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000481453441 1070192217 /nfs/dbraw/zinc/19/22/17/1070192217.db2.gz MBDZXZUCDPXLFT-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000481453441 1070192211 /nfs/dbraw/zinc/19/22/11/1070192211.db2.gz MBDZXZUCDPXLFT-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481453441 1070192207 /nfs/dbraw/zinc/19/22/07/1070192207.db2.gz MBDZXZUCDPXLFT-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481453441 1070192204 /nfs/dbraw/zinc/19/22/04/1070192204.db2.gz MBDZXZUCDPXLFT-GOSISDBHSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000481453444 1070192325 /nfs/dbraw/zinc/19/23/25/1070192325.db2.gz MBDZXZUCDPXLFT-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000481453444 1070192322 /nfs/dbraw/zinc/19/23/22/1070192322.db2.gz MBDZXZUCDPXLFT-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481453444 1070192315 /nfs/dbraw/zinc/19/23/15/1070192315.db2.gz MBDZXZUCDPXLFT-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481453444 1070192313 /nfs/dbraw/zinc/19/23/13/1070192313.db2.gz MBDZXZUCDPXLFT-SFHVURJKSA-N 2 1 465.620 0.799 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)c2)CC1 ZINC000481458591 1070191906 /nfs/dbraw/zinc/19/19/06/1070191906.db2.gz ZRMVQLPTAXPYOL-UHFFFAOYSA-N 2 1 465.620 0.944 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)c2)CC1 ZINC000481458591 1070191901 /nfs/dbraw/zinc/19/19/01/1070191901.db2.gz ZRMVQLPTAXPYOL-UHFFFAOYSA-N 2 1 465.620 0.944 20 0 JCADMP CC(C)[NH+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481470778 1070192068 /nfs/dbraw/zinc/19/20/68/1070192068.db2.gz GJGWTHPHDLWFHW-UHFFFAOYSA-N 2 1 453.609 0.798 20 0 JCADMP CC(C)[NH+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481470778 1070192064 /nfs/dbraw/zinc/19/20/64/1070192064.db2.gz GJGWTHPHDLWFHW-UHFFFAOYSA-N 2 1 453.609 0.798 20 0 JCADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481470778 1070192060 /nfs/dbraw/zinc/19/20/60/1070192060.db2.gz GJGWTHPHDLWFHW-UHFFFAOYSA-N 2 1 453.609 0.798 20 0 JCADMP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[NH+](C)CC2)c1 ZINC000481470778 1070192056 /nfs/dbraw/zinc/19/20/56/1070192056.db2.gz GJGWTHPHDLWFHW-UHFFFAOYSA-N 2 1 453.609 0.798 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)c2)CC1 ZINC000481474913 1070193175 /nfs/dbraw/zinc/19/31/75/1070193175.db2.gz BOPRPXCJKIJDOO-UHFFFAOYSA-N 2 1 465.620 0.944 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)c2)CC1 ZINC000481474913 1070193168 /nfs/dbraw/zinc/19/31/68/1070193168.db2.gz BOPRPXCJKIJDOO-UHFFFAOYSA-N 2 1 465.620 0.944 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)c2)CC1 ZINC000481493851 1070193284 /nfs/dbraw/zinc/19/32/84/1070193284.db2.gz CFZZGKQRRMHZGP-UHFFFAOYSA-N 2 1 451.593 0.553 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)c2)CC1 ZINC000481493851 1070193281 /nfs/dbraw/zinc/19/32/81/1070193281.db2.gz CFZZGKQRRMHZGP-UHFFFAOYSA-N 2 1 451.593 0.553 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)c2)CC1 ZINC000481507835 1070194389 /nfs/dbraw/zinc/19/43/89/1070194389.db2.gz UGCKSKPZGULTFX-UHFFFAOYSA-N 2 1 451.593 0.553 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)c2)CC1 ZINC000481507835 1070194383 /nfs/dbraw/zinc/19/43/83/1070194383.db2.gz UGCKSKPZGULTFX-UHFFFAOYSA-N 2 1 451.593 0.553 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000481514280 1070195273 /nfs/dbraw/zinc/19/52/73/1070195273.db2.gz AXGZWUUOMMQBKB-UHFFFAOYSA-N 2 1 463.604 0.694 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000481514280 1070195270 /nfs/dbraw/zinc/19/52/70/1070195270.db2.gz AXGZWUUOMMQBKB-UHFFFAOYSA-N 2 1 463.604 0.694 20 0 JCADMP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481528772 1070196457 /nfs/dbraw/zinc/19/64/57/1070196457.db2.gz YDHLAQXAYIADDM-UHFFFAOYSA-N 2 1 453.609 0.799 20 0 JCADMP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481528772 1070196453 /nfs/dbraw/zinc/19/64/53/1070196453.db2.gz YDHLAQXAYIADDM-UHFFFAOYSA-N 2 1 453.609 0.799 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)ccc2oc1=O ZINC000482500065 1070208983 /nfs/dbraw/zinc/20/89/83/1070208983.db2.gz ASYAYPBOGZMMKZ-UHFFFAOYSA-N 2 1 496.572 0.213 20 0 JCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000482680161 1070212980 /nfs/dbraw/zinc/21/29/80/1070212980.db2.gz ZFFSZOPZRRKVPD-UHFFFAOYSA-N 2 1 474.562 0.201 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)ccc2oc1=O ZINC000483300048 1070221384 /nfs/dbraw/zinc/22/13/84/1070221384.db2.gz PGPUOPSBGQYXMK-UHFFFAOYSA-N 2 1 486.573 0.107 20 0 JCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)CC2)CCO1 ZINC000485116054 1070260333 /nfs/dbraw/zinc/26/03/33/1070260333.db2.gz DUHQNLRKMGEMHW-INIZCTEOSA-N 2 1 459.547 0.806 20 0 JCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)CC2)CCO1 ZINC000485116056 1070260399 /nfs/dbraw/zinc/26/03/99/1070260399.db2.gz DUHQNLRKMGEMHW-MRXNPFEDSA-N 2 1 459.547 0.806 20 0 JCADMP COCCN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000488319341 1070318506 /nfs/dbraw/zinc/31/85/06/1070318506.db2.gz BCOKYQNQJQFLIH-UHFFFAOYSA-N 2 1 464.611 0.974 20 0 JCADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000491019135 1070425616 /nfs/dbraw/zinc/42/56/16/1070425616.db2.gz KMIASRSWEKXTRN-UHFFFAOYSA-N 2 1 471.646 0.833 20 0 JCADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000492266594 1067810922 /nfs/dbraw/zinc/81/09/22/1067810922.db2.gz BUGVMZQJZBFQLL-UHFFFAOYSA-N 2 1 494.658 0.758 20 0 JCADMP CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498548002 1068578654 /nfs/dbraw/zinc/57/86/54/1068578654.db2.gz WRLXMBTVVNEMQR-UHFFFAOYSA-N 2 1 453.590 0.480 20 0 JCADMP CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498560220 1068584539 /nfs/dbraw/zinc/58/45/39/1068584539.db2.gz MVLJECFWUJRDEK-UHFFFAOYSA-N 2 1 453.590 0.480 20 0 JCADMP CN(CCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000498560321 1068596896 /nfs/dbraw/zinc/59/68/96/1068596896.db2.gz QECMCBSEDTZADI-UHFFFAOYSA-N 2 1 499.634 0.973 20 0 JCADMP CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498560694 1068596929 /nfs/dbraw/zinc/59/69/29/1068596929.db2.gz OVJJCFRERNRVPU-UHFFFAOYSA-N 2 1 467.617 0.823 20 0 JCADMP CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498565576 1068593453 /nfs/dbraw/zinc/59/34/53/1068593453.db2.gz ZYEKXXWSSDFUQG-UHFFFAOYSA-N 2 1 467.617 0.823 20 0 JCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000499168413 1068810578 /nfs/dbraw/zinc/81/05/78/1068810578.db2.gz KEZNXPKVUYZSMI-NRFANRHFSA-N 2 1 459.591 0.511 20 0 JCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000499168421 1068810662 /nfs/dbraw/zinc/81/06/62/1068810662.db2.gz KEZNXPKVUYZSMI-OAQYLSRUSA-N 2 1 459.591 0.511 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)ccc2oc1=O ZINC000499168837 1068810718 /nfs/dbraw/zinc/81/07/18/1068810718.db2.gz LLEMRZPILCWLOP-UHFFFAOYSA-N 2 1 495.584 0.818 20 0 JCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc2)CC1 ZINC000499536107 1069492450 /nfs/dbraw/zinc/49/24/50/1069492450.db2.gz HSXQONVTZPAJJL-JOCHJYFZSA-N 2 1 470.618 0.641 20 0 JCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc2)CC1 ZINC000499536107 1069492446 /nfs/dbraw/zinc/49/24/46/1069492446.db2.gz HSXQONVTZPAJJL-JOCHJYFZSA-N 2 1 470.618 0.641 20 0 JCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc2)CC1 ZINC000499536108 1069492480 /nfs/dbraw/zinc/49/24/80/1069492480.db2.gz HSXQONVTZPAJJL-QFIPXVFZSA-N 2 1 470.618 0.641 20 0 JCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc2)CC1 ZINC000499536108 1069492477 /nfs/dbraw/zinc/49/24/77/1069492477.db2.gz HSXQONVTZPAJJL-QFIPXVFZSA-N 2 1 470.618 0.641 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc2)CC1 ZINC000499536401 1069492577 /nfs/dbraw/zinc/49/25/77/1069492577.db2.gz IZBULSWSHSWVLR-HSZRJFAPSA-N 2 1 484.645 0.570 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc2)CC1 ZINC000499536401 1069492573 /nfs/dbraw/zinc/49/25/73/1069492573.db2.gz IZBULSWSHSWVLR-HSZRJFAPSA-N 2 1 484.645 0.570 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc2)CC1 ZINC000499536403 1069492611 /nfs/dbraw/zinc/49/26/11/1069492611.db2.gz IZBULSWSHSWVLR-QHCPKHFHSA-N 2 1 484.645 0.570 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc2)CC1 ZINC000499536403 1069492607 /nfs/dbraw/zinc/49/26/07/1069492607.db2.gz IZBULSWSHSWVLR-QHCPKHFHSA-N 2 1 484.645 0.570 20 0 JCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000499567242 1069496317 /nfs/dbraw/zinc/49/63/17/1069496317.db2.gz XOOLACMGIIZEGC-HSZRJFAPSA-N 2 1 484.645 0.951 20 0 JCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000499567243 1069496423 /nfs/dbraw/zinc/49/64/23/1069496423.db2.gz XOOLACMGIIZEGC-QHCPKHFHSA-N 2 1 484.645 0.951 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)ccc2oc1=O ZINC000499576633 1069497687 /nfs/dbraw/zinc/49/76/87/1069497687.db2.gz RXGCEVVYWXQILS-IBGZPJMESA-N 2 1 472.590 0.723 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)ccc2oc1=O ZINC000499576642 1069497711 /nfs/dbraw/zinc/49/77/11/1069497711.db2.gz RXGCEVVYWXQILS-LJQANCHMSA-N 2 1 472.590 0.723 20 0 JCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)COCC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000501111706 1068281824 /nfs/dbraw/zinc/28/18/24/1068281824.db2.gz NHBWQDNJWIVVHQ-DNQXCXABSA-N 2 1 492.709 0.260 20 0 JCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)COCC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000501111707 1068281909 /nfs/dbraw/zinc/28/19/09/1068281909.db2.gz NHBWQDNJWIVVHQ-PSWAGMNNSA-N 2 1 492.709 0.260 20 0 JCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)COCC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000501111707 1068281893 /nfs/dbraw/zinc/28/18/93/1068281893.db2.gz NHBWQDNJWIVVHQ-PSWAGMNNSA-N 2 1 492.709 0.260 20 0 JCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)COCC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000501111707 1068281883 /nfs/dbraw/zinc/28/18/83/1068281883.db2.gz NHBWQDNJWIVVHQ-PSWAGMNNSA-N 2 1 492.709 0.260 20 0 JCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)COCC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000501111708 1068281950 /nfs/dbraw/zinc/28/19/50/1068281950.db2.gz NHBWQDNJWIVVHQ-ZEQRLZLVSA-N 2 1 492.709 0.260 20 0 JCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501275272 1068294733 /nfs/dbraw/zinc/29/47/33/1068294733.db2.gz NCHHNPQYZYCKKP-UHFFFAOYSA-N 2 1 493.612 0.866 20 0 JCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000501283867 1068293002 /nfs/dbraw/zinc/29/30/02/1068293002.db2.gz MQILUPWQICYRFC-IBGZPJMESA-N 2 1 459.591 0.972 20 0 JCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000501283868 1068292859 /nfs/dbraw/zinc/29/28/59/1068292859.db2.gz MQILUPWQICYRFC-LJQANCHMSA-N 2 1 459.591 0.972 20 0 JCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000501377141 1068302912 /nfs/dbraw/zinc/30/29/12/1068302912.db2.gz QJJPPNDIDYDULL-FGZHOGPDSA-N 2 1 498.672 0.959 20 0 JCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000501377142 1068303046 /nfs/dbraw/zinc/30/30/46/1068303046.db2.gz QJJPPNDIDYDULL-SZPZYZBQSA-N 2 1 498.672 0.959 20 0 JCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000501377142 1068303028 /nfs/dbraw/zinc/30/30/28/1068303028.db2.gz QJJPPNDIDYDULL-SZPZYZBQSA-N 2 1 498.672 0.959 20 0 JCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000501377143 1068302951 /nfs/dbraw/zinc/30/29/51/1068302951.db2.gz QJJPPNDIDYDULL-VXKWHMMOSA-N 2 1 498.672 0.959 20 0 JCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501432402 1068304897 /nfs/dbraw/zinc/30/48/97/1068304897.db2.gz IZOKVVNLJLKMTM-IBGZPJMESA-N 2 1 458.607 0.545 20 0 JCADMP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501432403 1068304648 /nfs/dbraw/zinc/30/46/48/1068304648.db2.gz IZOKVVNLJLKMTM-LJQANCHMSA-N 2 1 458.607 0.545 20 0 JCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000501433423 1068304311 /nfs/dbraw/zinc/30/43/11/1068304311.db2.gz CHFFFTSUDLENDL-JOCHJYFZSA-N 2 1 493.608 0.938 20 0 JCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000501433423 1068304295 /nfs/dbraw/zinc/30/42/95/1068304295.db2.gz CHFFFTSUDLENDL-JOCHJYFZSA-N 2 1 493.608 0.938 20 0 JCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1 ZINC000501433423 1068304276 /nfs/dbraw/zinc/30/42/76/1068304276.db2.gz CHFFFTSUDLENDL-JOCHJYFZSA-N 2 1 493.608 0.938 20 0 JCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000501433424 1068304742 /nfs/dbraw/zinc/30/47/42/1068304742.db2.gz CHFFFTSUDLENDL-QFIPXVFZSA-N 2 1 493.608 0.938 20 0 JCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000501433424 1068304724 /nfs/dbraw/zinc/30/47/24/1068304724.db2.gz CHFFFTSUDLENDL-QFIPXVFZSA-N 2 1 493.608 0.938 20 0 JCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)CC1 ZINC000501433424 1068304706 /nfs/dbraw/zinc/30/47/06/1068304706.db2.gz CHFFFTSUDLENDL-QFIPXVFZSA-N 2 1 493.608 0.938 20 0 JCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501434048 1068304991 /nfs/dbraw/zinc/30/49/91/1068304991.db2.gz CTDHOBABUONLCX-UHFFFAOYSA-N 2 1 486.617 0.510 20 0 JCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000501434048 1068304972 /nfs/dbraw/zinc/30/49/72/1068304972.db2.gz CTDHOBABUONLCX-UHFFFAOYSA-N 2 1 486.617 0.510 20 0 JCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000501437678 1068305941 /nfs/dbraw/zinc/30/59/41/1068305941.db2.gz QJXLHIOQLRZHPD-IBGZPJMESA-N 2 1 459.591 0.876 20 0 JCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000501437678 1068305930 /nfs/dbraw/zinc/30/59/30/1068305930.db2.gz QJXLHIOQLRZHPD-IBGZPJMESA-N 2 1 459.591 0.876 20 0 JCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000501437678 1068305912 /nfs/dbraw/zinc/30/59/12/1068305912.db2.gz QJXLHIOQLRZHPD-IBGZPJMESA-N 2 1 459.591 0.876 20 0 JCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000501437679 1068305759 /nfs/dbraw/zinc/30/57/59/1068305759.db2.gz QJXLHIOQLRZHPD-LJQANCHMSA-N 2 1 459.591 0.876 20 0 JCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000501437679 1068305740 /nfs/dbraw/zinc/30/57/40/1068305740.db2.gz QJXLHIOQLRZHPD-LJQANCHMSA-N 2 1 459.591 0.876 20 0 JCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000501437679 1068305722 /nfs/dbraw/zinc/30/57/22/1068305722.db2.gz QJXLHIOQLRZHPD-LJQANCHMSA-N 2 1 459.591 0.876 20 0 JCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000501440387 1068306252 /nfs/dbraw/zinc/30/62/52/1068306252.db2.gz SMBCIWTZBICNNX-UHFFFAOYSA-N 2 1 470.618 0.643 20 0 JCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501464681 1068306817 /nfs/dbraw/zinc/30/68/17/1068306817.db2.gz ZXNIQRFVLXCZRU-UHFFFAOYSA-N 2 1 458.607 0.545 20 0 JCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000501464681 1068306794 /nfs/dbraw/zinc/30/67/94/1068306794.db2.gz ZXNIQRFVLXCZRU-UHFFFAOYSA-N 2 1 458.607 0.545 20 0 JCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501464681 1068306784 /nfs/dbraw/zinc/30/67/84/1068306784.db2.gz ZXNIQRFVLXCZRU-UHFFFAOYSA-N 2 1 458.607 0.545 20 0 JCADMP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501469980 1068307044 /nfs/dbraw/zinc/30/70/44/1068307044.db2.gz JFZFOLPEAGBNJO-UHFFFAOYSA-N 2 1 458.607 0.547 20 0 JCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000501478005 1068308373 /nfs/dbraw/zinc/30/83/73/1068308373.db2.gz QYCVUWZBAORUEJ-UHFFFAOYSA-N 2 1 471.602 0.974 20 0 JCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000501498574 1068310209 /nfs/dbraw/zinc/31/02/09/1068310209.db2.gz OMTMCXJDODTSRB-UHFFFAOYSA-N 2 1 493.612 0.866 20 0 JCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3C(=O)N3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000501502826 1068310815 /nfs/dbraw/zinc/31/08/15/1068310815.db2.gz ZUJLVDVELVFHLQ-UHFFFAOYSA-N 2 1 493.612 0.866 20 0 JCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503186483 1068411860 /nfs/dbraw/zinc/41/18/60/1068411860.db2.gz JIGYNVNHBUICFV-UHFFFAOYSA-N 2 1 486.617 0.797 20 0 JCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)CC1 ZINC000503605164 1068446602 /nfs/dbraw/zinc/44/66/02/1068446602.db2.gz SMXLFQSURQWLSR-FQEVSTJZSA-N 2 1 452.621 0.798 20 0 JCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)CC1 ZINC000503605165 1068446821 /nfs/dbraw/zinc/44/68/21/1068446821.db2.gz SMXLFQSURQWLSR-HXUWFJFHSA-N 2 1 452.621 0.798 20 0 JCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000503624081 1068450919 /nfs/dbraw/zinc/45/09/19/1068450919.db2.gz HSAUGLFEXGDLKI-UHFFFAOYSA-N 2 1 457.575 0.266 20 0 JCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000503624537 1068450750 /nfs/dbraw/zinc/45/07/50/1068450750.db2.gz JQMRFBUPNAUDSH-UHFFFAOYSA-N 2 1 484.601 0.169 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000505738600 1068813888 /nfs/dbraw/zinc/81/38/88/1068813888.db2.gz VEEUMTBIPQQECD-HNNXBMFYSA-N 2 1 453.565 0.116 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000505738601 1068813743 /nfs/dbraw/zinc/81/37/43/1068813743.db2.gz VEEUMTBIPQQECD-OAHLLOKOSA-N 2 1 453.565 0.116 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000505800803 1068849968 /nfs/dbraw/zinc/84/99/68/1068849968.db2.gz FMXSCGPPVRDDPI-IBGZPJMESA-N 2 1 465.620 0.295 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000505800805 1068849883 /nfs/dbraw/zinc/84/98/83/1068849883.db2.gz FMXSCGPPVRDDPI-LJQANCHMSA-N 2 1 465.620 0.295 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000508076659 1069517319 /nfs/dbraw/zinc/51/73/19/1069517319.db2.gz BSNCWHXSNSLRJL-AOMKIAJQSA-N 2 1 481.619 0.786 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000508076661 1069517557 /nfs/dbraw/zinc/51/75/57/1069517557.db2.gz BSNCWHXSNSLRJL-KSFYIVLOSA-N 2 1 481.619 0.786 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000508076664 1069517459 /nfs/dbraw/zinc/51/74/59/1069517459.db2.gz BSNCWHXSNSLRJL-OPAMFIHVSA-N 2 1 481.619 0.786 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000508076667 1069517605 /nfs/dbraw/zinc/51/76/05/1069517605.db2.gz BSNCWHXSNSLRJL-ZHRRBRCNSA-N 2 1 481.619 0.786 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000508088056 1069517276 /nfs/dbraw/zinc/51/72/76/1069517276.db2.gz KBFVIENKNUEDDJ-IBGZPJMESA-N 2 1 465.620 0.295 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000508088061 1069517254 /nfs/dbraw/zinc/51/72/54/1069517254.db2.gz KBFVIENKNUEDDJ-LJQANCHMSA-N 2 1 465.620 0.295 20 0 JCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000510193062 1067706727 /nfs/dbraw/zinc/70/67/27/1067706727.db2.gz PPUXRZCCBWBOMR-UHFFFAOYSA-N 2 1 459.591 0.512 20 0 JCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000510210125 1067708096 /nfs/dbraw/zinc/70/80/96/1067708096.db2.gz ROZARFLBKQORPR-UHFFFAOYSA-N 2 1 486.617 0.415 20 0 JCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000510365838 1067760559 /nfs/dbraw/zinc/76/05/59/1067760559.db2.gz VEOGLZTVLOHQEM-UHFFFAOYSA-N 2 1 465.620 0.752 20 0 JCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000510365838 1067760551 /nfs/dbraw/zinc/76/05/51/1067760551.db2.gz VEOGLZTVLOHQEM-UHFFFAOYSA-N 2 1 465.620 0.752 20 0 JCADMP Cc1ccc([C@H](CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)N2CCCC2)o1 ZINC000510454115 1067773781 /nfs/dbraw/zinc/77/37/81/1067773781.db2.gz CVODHUBTDKPXRK-IBGZPJMESA-N 2 1 468.624 0.544 20 0 JCADMP Cc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)N2CCCC2)o1 ZINC000510454124 1067773911 /nfs/dbraw/zinc/77/39/11/1067773911.db2.gz CVODHUBTDKPXRK-LJQANCHMSA-N 2 1 468.624 0.544 20 0 JCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000514315172 1068523871 /nfs/dbraw/zinc/52/38/71/1068523871.db2.gz AYZXQNLCDWMQDR-IBGZPJMESA-N 2 1 493.580 0.994 20 0 JCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000514315181 1068523923 /nfs/dbraw/zinc/52/39/23/1068523923.db2.gz AYZXQNLCDWMQDR-LJQANCHMSA-N 2 1 493.580 0.994 20 0 JCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000514317814 1068530415 /nfs/dbraw/zinc/53/04/15/1068530415.db2.gz KUXLVQKJYBLQNF-UHFFFAOYSA-N 2 1 472.590 0.766 20 0 JCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[NH+]1CCCC1 ZINC000514337011 1068555427 /nfs/dbraw/zinc/55/54/27/1068555427.db2.gz UNJNGESGQWBJSD-KRWDZBQOSA-N 2 1 451.593 0.552 20 0 JCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[NH+]1CCCC1 ZINC000514337011 1068555416 /nfs/dbraw/zinc/55/54/16/1068555416.db2.gz UNJNGESGQWBJSD-KRWDZBQOSA-N 2 1 451.593 0.552 20 0 JCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[NH+]1CCCC1 ZINC000514337012 1068555525 /nfs/dbraw/zinc/55/55/25/1068555525.db2.gz UNJNGESGQWBJSD-QGZVFWFLSA-N 2 1 451.593 0.552 20 0 JCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[NH+]1CCCC1 ZINC000514337012 1068555513 /nfs/dbraw/zinc/55/55/13/1068555513.db2.gz UNJNGESGQWBJSD-QGZVFWFLSA-N 2 1 451.593 0.552 20 0 JCADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000514337759 1068557601 /nfs/dbraw/zinc/55/76/01/1068557601.db2.gz VKYKXGFOZKSWLU-NRFANRHFSA-N 2 1 457.619 0.764 20 0 JCADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000514337762 1068557678 /nfs/dbraw/zinc/55/76/78/1068557678.db2.gz VKYKXGFOZKSWLU-OAQYLSRUSA-N 2 1 457.619 0.764 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514340176 1068559613 /nfs/dbraw/zinc/55/96/13/1068559613.db2.gz BZPSEDXATUANAQ-FQEVSTJZSA-N 2 1 460.627 0.621 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000514340178 1068559465 /nfs/dbraw/zinc/55/94/65/1068559465.db2.gz BZPSEDXATUANAQ-HXUWFJFHSA-N 2 1 460.627 0.621 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000514341046 1068561768 /nfs/dbraw/zinc/56/17/68/1068561768.db2.gz HQDLXKBVEOMGCY-UHFFFAOYSA-N 2 1 487.601 0.783 20 0 JCADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344069 1068573584 /nfs/dbraw/zinc/57/35/84/1068573584.db2.gz ADGBPGVFLPOQGM-LEWJYISDSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344069 1068573576 /nfs/dbraw/zinc/57/35/76/1068573576.db2.gz ADGBPGVFLPOQGM-LEWJYISDSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[NH+](Cc2cccc(CNC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344069 1068573568 /nfs/dbraw/zinc/57/35/68/1068573568.db2.gz ADGBPGVFLPOQGM-LEWJYISDSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000514344070 1068573667 /nfs/dbraw/zinc/57/36/67/1068573667.db2.gz ADGBPGVFLPOQGM-NHCUHLMSSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000514344070 1068573655 /nfs/dbraw/zinc/57/36/55/1068573655.db2.gz ADGBPGVFLPOQGM-NHCUHLMSSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[NH+](Cc2cccc(CNC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000514344070 1068573639 /nfs/dbraw/zinc/57/36/39/1068573639.db2.gz ADGBPGVFLPOQGM-NHCUHLMSSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344071 1068573470 /nfs/dbraw/zinc/57/34/70/1068573470.db2.gz ADGBPGVFLPOQGM-RTWAWAEBSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344071 1068573460 /nfs/dbraw/zinc/57/34/60/1068573460.db2.gz ADGBPGVFLPOQGM-RTWAWAEBSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344071 1068573450 /nfs/dbraw/zinc/57/34/50/1068573450.db2.gz ADGBPGVFLPOQGM-RTWAWAEBSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344072 1068573522 /nfs/dbraw/zinc/57/35/22/1068573522.db2.gz ADGBPGVFLPOQGM-SFTDATJTSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344072 1068573511 /nfs/dbraw/zinc/57/35/11/1068573511.db2.gz ADGBPGVFLPOQGM-SFTDATJTSA-N 2 1 458.607 0.771 20 0 JCADMP NC(=O)[C@H]1CCC[NH+](Cc2cccc(CNC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000514344072 1068573503 /nfs/dbraw/zinc/57/35/03/1068573503.db2.gz ADGBPGVFLPOQGM-SFTDATJTSA-N 2 1 458.607 0.771 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000514346828 1068579467 /nfs/dbraw/zinc/57/94/67/1068579467.db2.gz LQWWMCJNIBVOSR-UHFFFAOYSA-N 2 1 457.623 0.782 20 0 JCADMP C[NH+](C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000514350457 1068589437 /nfs/dbraw/zinc/58/94/37/1068589437.db2.gz OTLNXWPLCULFPT-UHFFFAOYSA-N 2 1 494.662 0.619 20 0 JCADMP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)CC1 ZINC000514366575 1068610963 /nfs/dbraw/zinc/61/09/63/1068610963.db2.gz JCARFBXWWGKYBF-UHFFFAOYSA-N 2 1 475.590 0.638 20 0 JCADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000514370408 1068636383 /nfs/dbraw/zinc/63/63/83/1068636383.db2.gz WZRCOYXQMHYJGG-IBGZPJMESA-N 2 1 458.607 0.084 20 0 JCADMP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000514370409 1068636237 /nfs/dbraw/zinc/63/62/37/1068636237.db2.gz WZRCOYXQMHYJGG-LJQANCHMSA-N 2 1 458.607 0.084 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000514455200 1068671864 /nfs/dbraw/zinc/67/18/64/1068671864.db2.gz QLUVPVHSRIUIMO-KRWDZBQOSA-N 2 1 474.562 0.154 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000514455201 1068671994 /nfs/dbraw/zinc/67/19/94/1068671994.db2.gz QLUVPVHSRIUIMO-QGZVFWFLSA-N 2 1 474.562 0.154 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000514456375 1068673477 /nfs/dbraw/zinc/67/34/77/1068673477.db2.gz ONLGEAPBYBFKDM-NRFANRHFSA-N 2 1 464.655 0.953 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000514456377 1068673372 /nfs/dbraw/zinc/67/33/72/1068673372.db2.gz ONLGEAPBYBFKDM-OAQYLSRUSA-N 2 1 464.655 0.953 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000514456463 1068675899 /nfs/dbraw/zinc/67/58/99/1068675899.db2.gz XBHCWZQXAVMGOU-NRFANRHFSA-N 2 1 459.591 0.559 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000514456463 1068675894 /nfs/dbraw/zinc/67/58/94/1068675894.db2.gz XBHCWZQXAVMGOU-NRFANRHFSA-N 2 1 459.591 0.559 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000514456467 1068675849 /nfs/dbraw/zinc/67/58/49/1068675849.db2.gz XBHCWZQXAVMGOU-OAQYLSRUSA-N 2 1 459.591 0.559 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000514456467 1068675843 /nfs/dbraw/zinc/67/58/43/1068675843.db2.gz XBHCWZQXAVMGOU-OAQYLSRUSA-N 2 1 459.591 0.559 20 0 JCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000514462939 1068679979 /nfs/dbraw/zinc/67/99/79/1068679979.db2.gz ZBRDFECQWJFOTO-FQEVSTJZSA-N 2 1 457.623 0.836 20 0 JCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000514462940 1068679923 /nfs/dbraw/zinc/67/99/23/1068679923.db2.gz ZBRDFECQWJFOTO-HXUWFJFHSA-N 2 1 457.623 0.836 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)CC1 ZINC000514475742 1068715579 /nfs/dbraw/zinc/71/55/79/1068715579.db2.gz USWUFLUUWDSLGW-UHFFFAOYSA-N 2 1 465.620 0.929 20 0 JCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000514476639 1068677781 /nfs/dbraw/zinc/67/77/81/1068677781.db2.gz BCCOIWPAWCSNHB-UHFFFAOYSA-N 2 1 458.607 0.674 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000515149279 1068787350 /nfs/dbraw/zinc/78/73/50/1068787350.db2.gz ZOIJBBJWPHHPGW-UHFFFAOYSA-N 2 1 496.678 0.864 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000515263225 1068794433 /nfs/dbraw/zinc/79/44/33/1068794433.db2.gz ROHJWCWPJVNSQE-UHFFFAOYSA-N 2 1 482.651 0.475 20 0 JCADMP COCCN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000515546228 1068820560 /nfs/dbraw/zinc/82/05/60/1068820560.db2.gz MNFQYDBOLHDYEJ-UHFFFAOYSA-N 2 1 480.610 0.211 20 0 JCADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000516024934 1068896160 /nfs/dbraw/zinc/89/61/60/1068896160.db2.gz XRPINSFIOPEJMV-UHFFFAOYSA-N 2 1 472.590 0.720 20 0 JCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000516207957 1068928153 /nfs/dbraw/zinc/92/81/53/1068928153.db2.gz MLCKCRAFGXKEFE-UHFFFAOYSA-N 2 1 458.544 0.206 20 0 JCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000516741539 1069018047 /nfs/dbraw/zinc/01/80/47/1069018047.db2.gz BVOYELFQGYOIFI-UHFFFAOYSA-N 2 1 456.591 0.484 20 0 JCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000516747207 1069025284 /nfs/dbraw/zinc/02/52/84/1069025284.db2.gz KTBSWWCAWAHYHJ-UHFFFAOYSA-N 2 1 456.591 0.253 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)CC1 ZINC000517503926 1069118760 /nfs/dbraw/zinc/11/87/60/1069118760.db2.gz AKVKJEIZFVGNHS-NRFANRHFSA-N 2 1 464.655 0.905 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)CC1 ZINC000517503926 1069118754 /nfs/dbraw/zinc/11/87/54/1069118754.db2.gz AKVKJEIZFVGNHS-NRFANRHFSA-N 2 1 464.655 0.905 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)CC1 ZINC000517503937 1069118668 /nfs/dbraw/zinc/11/86/68/1069118668.db2.gz AKVKJEIZFVGNHS-OAQYLSRUSA-N 2 1 464.655 0.905 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)CC1 ZINC000517503937 1069118660 /nfs/dbraw/zinc/11/86/60/1069118660.db2.gz AKVKJEIZFVGNHS-OAQYLSRUSA-N 2 1 464.655 0.905 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000517651914 1069127448 /nfs/dbraw/zinc/12/74/48/1069127448.db2.gz QJZYKGVYIMAYQW-UHFFFAOYSA-N 2 1 462.576 0.664 20 0 JCADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000517837353 1069147147 /nfs/dbraw/zinc/14/71/47/1069147147.db2.gz LYNCWPSFKBNGLO-UHFFFAOYSA-N 2 1 456.591 0.437 20 0 JCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000517954116 1069170995 /nfs/dbraw/zinc/17/09/95/1069170995.db2.gz DMQUBBLPEROIIV-UHFFFAOYSA-N 2 1 480.569 0.694 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000518089438 1069193150 /nfs/dbraw/zinc/19/31/50/1069193150.db2.gz NDRTWNVVUYXFEM-UHFFFAOYSA-N 2 1 471.602 0.512 20 0 JCADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518093528 1069194592 /nfs/dbraw/zinc/19/45/92/1069194592.db2.gz NFTLCDMXGVOWII-UHFFFAOYSA-N 2 1 464.998 0.701 20 0 JCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000518102282 1069200241 /nfs/dbraw/zinc/20/02/41/1069200241.db2.gz CKKCUWPJAWHFER-UHFFFAOYSA-N 2 1 473.618 0.947 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000519340562 1069336189 /nfs/dbraw/zinc/33/61/89/1069336189.db2.gz MBTPXFIITGWGDS-UHFFFAOYSA-N 2 1 486.617 0.261 20 0 JCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000520423117 1069452752 /nfs/dbraw/zinc/45/27/52/1069452752.db2.gz QDRXYYFTDYFKMZ-UHFFFAOYSA-N 2 1 458.544 0.206 20 0 JCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)cc2)CC1 ZINC000521552684 1069585362 /nfs/dbraw/zinc/58/53/62/1069585362.db2.gz ROHBMRFSNYFPNK-UHFFFAOYSA-N 2 1 457.575 0.774 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000521621632 1069589822 /nfs/dbraw/zinc/58/98/22/1069589822.db2.gz FIMIIAWZXDEAGX-GOSISDBHSA-N 2 1 496.678 0.864 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000521621633 1069589796 /nfs/dbraw/zinc/58/97/96/1069589796.db2.gz FIMIIAWZXDEAGX-SFHVURJKSA-N 2 1 496.678 0.864 20 0 JCADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000521805548 1069608501 /nfs/dbraw/zinc/60/85/01/1069608501.db2.gz IMUUDVYNWYFZFL-UHFFFAOYSA-N 2 1 472.590 0.720 20 0 JCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000521813138 1069611297 /nfs/dbraw/zinc/61/12/97/1069611297.db2.gz XGAOLVABKZVZAV-UHFFFAOYSA-N 2 1 459.591 0.968 20 0 JCADMP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)CC1 ZINC000522498843 1069669666 /nfs/dbraw/zinc/66/96/66/1069669666.db2.gz MSKHFCURYXSGSX-JOCHJYFZSA-N 2 1 472.634 0.822 20 0 JCADMP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)CC1 ZINC000522498844 1069669603 /nfs/dbraw/zinc/66/96/03/1069669603.db2.gz MSKHFCURYXSGSX-QFIPXVFZSA-N 2 1 472.634 0.822 20 0 JCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000523210982 1069743535 /nfs/dbraw/zinc/74/35/35/1069743535.db2.gz XYRBPKSIWILFHA-UHFFFAOYSA-N 2 1 472.590 0.766 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000523234345 1069751298 /nfs/dbraw/zinc/75/12/98/1069751298.db2.gz FJZYGQZTBPJQMG-NRFANRHFSA-N 2 1 458.607 0.431 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000523234346 1069751049 /nfs/dbraw/zinc/75/10/49/1069751049.db2.gz FJZYGQZTBPJQMG-OAQYLSRUSA-N 2 1 458.607 0.431 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000523238498 1069753715 /nfs/dbraw/zinc/75/37/15/1069753715.db2.gz QGNTVQSYYYFFCM-NRFANRHFSA-N 2 1 486.617 0.462 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000523238498 1069753713 /nfs/dbraw/zinc/75/37/13/1069753713.db2.gz QGNTVQSYYYFFCM-NRFANRHFSA-N 2 1 486.617 0.462 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000523238498 1069753705 /nfs/dbraw/zinc/75/37/05/1069753705.db2.gz QGNTVQSYYYFFCM-NRFANRHFSA-N 2 1 486.617 0.462 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000523238499 1069753678 /nfs/dbraw/zinc/75/36/78/1069753678.db2.gz QGNTVQSYYYFFCM-OAQYLSRUSA-N 2 1 486.617 0.462 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000523238499 1069753671 /nfs/dbraw/zinc/75/36/71/1069753671.db2.gz QGNTVQSYYYFFCM-OAQYLSRUSA-N 2 1 486.617 0.462 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000523238499 1069753664 /nfs/dbraw/zinc/75/36/64/1069753664.db2.gz QGNTVQSYYYFFCM-OAQYLSRUSA-N 2 1 486.617 0.462 20 0 JCADMP Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)CC2)cn1C ZINC000523302126 1069762861 /nfs/dbraw/zinc/76/28/61/1069762861.db2.gz QQCJTSLKMVLDPH-UHFFFAOYSA-N 2 1 461.592 0.915 20 0 JCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000523315682 1069766970 /nfs/dbraw/zinc/76/69/70/1069766970.db2.gz RKLHWJUSEWDLOV-NRFANRHFSA-N 2 1 457.623 0.789 20 0 JCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000523315683 1069766898 /nfs/dbraw/zinc/76/68/98/1069766898.db2.gz RKLHWJUSEWDLOV-OAQYLSRUSA-N 2 1 457.623 0.789 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000523966860 1069805898 /nfs/dbraw/zinc/80/58/98/1069805898.db2.gz LSYFXLCRZHYFDL-NRFANRHFSA-N 2 1 486.617 0.001 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000523966860 1069805865 /nfs/dbraw/zinc/80/58/65/1069805865.db2.gz LSYFXLCRZHYFDL-NRFANRHFSA-N 2 1 486.617 0.001 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000523966861 1069805737 /nfs/dbraw/zinc/80/57/37/1069805737.db2.gz LSYFXLCRZHYFDL-OAQYLSRUSA-N 2 1 486.617 0.001 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000523966861 1069805717 /nfs/dbraw/zinc/80/57/17/1069805717.db2.gz LSYFXLCRZHYFDL-OAQYLSRUSA-N 2 1 486.617 0.001 20 0 JCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)C1 ZINC000557607227 1070416811 /nfs/dbraw/zinc/41/68/11/1070416811.db2.gz RCUBYINLJBJTFY-JOCHJYFZSA-N 2 1 470.618 0.834 20 0 JCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)C1 ZINC000557607233 1070416784 /nfs/dbraw/zinc/41/67/84/1070416784.db2.gz RCUBYINLJBJTFY-QFIPXVFZSA-N 2 1 470.618 0.834 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)CC1 ZINC000557660109 1070418409 /nfs/dbraw/zinc/41/84/09/1070418409.db2.gz RADOYCHDIPJTLP-UHFFFAOYSA-N 2 1 459.595 0.090 20 0 JCADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000558953609 1070435420 /nfs/dbraw/zinc/43/54/20/1070435420.db2.gz IRRKRCPPFXXFLA-UHFFFAOYSA-N 2 1 494.658 0.758 20 0 JCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000561309057 1070471869 /nfs/dbraw/zinc/47/18/69/1070471869.db2.gz QOKFRZHTRMAXEQ-UHFFFAOYSA-N 2 1 493.674 0.649 20 0 JCADMP COc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380938 1067765977 /nfs/dbraw/zinc/76/59/77/1067765977.db2.gz KADKWIDHLGJDGO-MSOLQXFVSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380938 1067765971 /nfs/dbraw/zinc/76/59/71/1067765971.db2.gz KADKWIDHLGJDGO-MSOLQXFVSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380939 1067766249 /nfs/dbraw/zinc/76/62/49/1067766249.db2.gz KADKWIDHLGJDGO-QZTJIDSGSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380939 1067766239 /nfs/dbraw/zinc/76/62/39/1067766239.db2.gz KADKWIDHLGJDGO-QZTJIDSGSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380940 1067766068 /nfs/dbraw/zinc/76/60/68/1067766068.db2.gz KADKWIDHLGJDGO-ROUUACIJSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380940 1067766063 /nfs/dbraw/zinc/76/60/63/1067766063.db2.gz KADKWIDHLGJDGO-ROUUACIJSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380941 1067766090 /nfs/dbraw/zinc/76/60/90/1067766090.db2.gz KADKWIDHLGJDGO-ZWKOTPCHSA-N 2 1 479.603 0.442 20 0 JCADMP COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380941 1067766082 /nfs/dbraw/zinc/76/60/82/1067766082.db2.gz KADKWIDHLGJDGO-ZWKOTPCHSA-N 2 1 479.603 0.442 20 0 JCADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(CC[N@@H+](C)Cc3ccccc3)CC1)c(=O)n2C ZINC000581624719 1067771392 /nfs/dbraw/zinc/77/13/92/1067771392.db2.gz WWXJLRZJIJKQAM-UHFFFAOYSA-N 2 1 453.591 0.573 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000587980642 1070445267 /nfs/dbraw/zinc/44/52/67/1070445267.db2.gz CJACATPLCBRVNK-NRFANRHFSA-N 2 1 486.617 0.381 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000587980643 1070445159 /nfs/dbraw/zinc/44/51/59/1070445159.db2.gz CJACATPLCBRVNK-OAQYLSRUSA-N 2 1 486.617 0.381 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)CC1 ZINC000587980656 1067923162 /nfs/dbraw/zinc/92/31/62/1067923162.db2.gz DVPVWOJFGQTRAL-NRFANRHFSA-N 2 1 486.617 0.462 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2)CC1 ZINC000587980656 1067923155 /nfs/dbraw/zinc/92/31/55/1067923155.db2.gz DVPVWOJFGQTRAL-NRFANRHFSA-N 2 1 486.617 0.462 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)CC1 ZINC000587980657 1070445123 /nfs/dbraw/zinc/44/51/23/1070445123.db2.gz DVPVWOJFGQTRAL-OAQYLSRUSA-N 2 1 486.617 0.462 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)CC1 ZINC000587980657 1070445115 /nfs/dbraw/zinc/44/51/15/1070445115.db2.gz DVPVWOJFGQTRAL-OAQYLSRUSA-N 2 1 486.617 0.462 20 0 JCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000588709525 1070492400 /nfs/dbraw/zinc/49/24/00/1070492400.db2.gz CLTPLMVSRLDSPE-BGYRXZFFSA-N 2 1 451.656 0.867 20 0 JCADMP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000589013381 1067899244 /nfs/dbraw/zinc/89/92/44/1067899244.db2.gz QMMQJBJFWPFLFS-UHFFFAOYSA-N 2 1 459.591 0.559 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000590630382 1070592888 /nfs/dbraw/zinc/59/28/88/1070592888.db2.gz VZECQMWTBDDWDH-UHFFFAOYSA-N 2 1 487.649 0.996 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000590639613 1070594523 /nfs/dbraw/zinc/59/45/23/1070594523.db2.gz FYCSYNVMWRADJZ-UHFFFAOYSA-N 2 1 458.607 0.826 20 0 JCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000590639656 1070595666 /nfs/dbraw/zinc/59/56/66/1070595666.db2.gz NOZTVPAZERPQHW-UHFFFAOYSA-N 2 1 458.607 0.824 20 0 JCADMP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000590640341 1070596033 /nfs/dbraw/zinc/59/60/33/1070596033.db2.gz OAQWTBNKZMCDQV-NRFANRHFSA-N 2 1 460.623 0.928 20 0 JCADMP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000590640343 1070596636 /nfs/dbraw/zinc/59/66/36/1070596636.db2.gz OAQWTBNKZMCDQV-OAQYLSRUSA-N 2 1 460.623 0.928 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000590640698 1070595230 /nfs/dbraw/zinc/59/52/30/1070595230.db2.gz ITTXCOQTSYVGAZ-UHFFFAOYSA-N 2 1 458.607 0.828 20 0 JCADMP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000590642235 1070596382 /nfs/dbraw/zinc/59/63/82/1070596382.db2.gz AXWQQOJFIKGBHI-UHFFFAOYSA-N 2 1 458.607 0.683 20 0 JCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590642237 1070596180 /nfs/dbraw/zinc/59/61/80/1070596180.db2.gz BGTQDXMNASPXSI-IBGZPJMESA-N 2 1 458.607 0.826 20 0 JCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590642238 1070596509 /nfs/dbraw/zinc/59/65/09/1070596509.db2.gz BGTQDXMNASPXSI-LJQANCHMSA-N 2 1 458.607 0.826 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000590642273 1070596236 /nfs/dbraw/zinc/59/62/36/1070596236.db2.gz JKEHNEVKHWAOKY-UHFFFAOYSA-N 2 1 458.607 0.828 20 0 JCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590642282 1070596597 /nfs/dbraw/zinc/59/65/97/1070596597.db2.gz LTBZHLVTDSZOSI-IBGZPJMESA-N 2 1 458.607 0.826 20 0 JCADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590642282 1070596585 /nfs/dbraw/zinc/59/65/85/1070596585.db2.gz LTBZHLVTDSZOSI-IBGZPJMESA-N 2 1 458.607 0.826 20 0 JCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590642283 1070596109 /nfs/dbraw/zinc/59/61/09/1070596109.db2.gz LTBZHLVTDSZOSI-LJQANCHMSA-N 2 1 458.607 0.826 20 0 JCADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590642283 1070596098 /nfs/dbraw/zinc/59/60/98/1070596098.db2.gz LTBZHLVTDSZOSI-LJQANCHMSA-N 2 1 458.607 0.826 20 0 JCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590642327 1070597136 /nfs/dbraw/zinc/59/71/36/1070597136.db2.gz UMBDVQQGZREPFN-IBGZPJMESA-N 2 1 458.607 0.683 20 0 JCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590642327 1070597129 /nfs/dbraw/zinc/59/71/29/1070597129.db2.gz UMBDVQQGZREPFN-IBGZPJMESA-N 2 1 458.607 0.683 20 0 JCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590642328 1070597035 /nfs/dbraw/zinc/59/70/35/1070597035.db2.gz UMBDVQQGZREPFN-LJQANCHMSA-N 2 1 458.607 0.683 20 0 JCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590642328 1070597028 /nfs/dbraw/zinc/59/70/28/1070597028.db2.gz UMBDVQQGZREPFN-LJQANCHMSA-N 2 1 458.607 0.683 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000590642696 1070597089 /nfs/dbraw/zinc/59/70/89/1070597089.db2.gz FFWVPQOBMRWRAE-LEWJYISDSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000590642696 1070597080 /nfs/dbraw/zinc/59/70/80/1070597080.db2.gz FFWVPQOBMRWRAE-LEWJYISDSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000590642697 1070597929 /nfs/dbraw/zinc/59/79/29/1070597929.db2.gz FFWVPQOBMRWRAE-NHCUHLMSSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000590642697 1070597913 /nfs/dbraw/zinc/59/79/13/1070597913.db2.gz FFWVPQOBMRWRAE-NHCUHLMSSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000590642698 1070598298 /nfs/dbraw/zinc/59/82/98/1070598298.db2.gz FFWVPQOBMRWRAE-RTWAWAEBSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000590642698 1070598293 /nfs/dbraw/zinc/59/82/93/1070598293.db2.gz FFWVPQOBMRWRAE-RTWAWAEBSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000590642700 1070598040 /nfs/dbraw/zinc/59/80/40/1070598040.db2.gz FFWVPQOBMRWRAE-SFTDATJTSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000590642700 1070598025 /nfs/dbraw/zinc/59/80/25/1070598025.db2.gz FFWVPQOBMRWRAE-SFTDATJTSA-N 2 1 456.591 0.578 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000590642805 1070596940 /nfs/dbraw/zinc/59/69/40/1070596940.db2.gz YREYFQHGNHLVOQ-UHFFFAOYSA-N 2 1 499.660 0.075 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000590643169 1070597210 /nfs/dbraw/zinc/59/72/10/1070597210.db2.gz MWFAOIIBYHZOTD-UHFFFAOYSA-N 2 1 479.585 0.579 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000590643181 1070597173 /nfs/dbraw/zinc/59/71/73/1070597173.db2.gz TXGQLLPIOMLINP-UHFFFAOYSA-N 2 1 486.598 0.695 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000590643181 1070597164 /nfs/dbraw/zinc/59/71/64/1070597164.db2.gz TXGQLLPIOMLINP-UHFFFAOYSA-N 2 1 486.598 0.695 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000590644020 1070598626 /nfs/dbraw/zinc/59/86/26/1070598626.db2.gz RBNCGIYYMUUZIF-UHFFFAOYSA-N 2 1 470.618 0.826 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000590644236 1070598932 /nfs/dbraw/zinc/59/89/32/1070598932.db2.gz HBNXAXAMBGAMIL-UHFFFAOYSA-N 2 1 458.607 0.636 20 0 JCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000590644537 1070601519 /nfs/dbraw/zinc/60/15/19/1070601519.db2.gz WYXXTKMNSRIQDY-UHFFFAOYSA-N 2 1 458.607 0.778 20 0 JCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000590644537 1070601511 /nfs/dbraw/zinc/60/15/11/1070601511.db2.gz WYXXTKMNSRIQDY-UHFFFAOYSA-N 2 1 458.607 0.778 20 0 JCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C[NH+]1CCCC1 ZINC000590644632 1070601694 /nfs/dbraw/zinc/60/16/94/1070601694.db2.gz CFENZVJBENRRQR-IBGZPJMESA-N 2 1 458.607 0.683 20 0 JCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C[NH+]1CCCC1 ZINC000590644633 1070601608 /nfs/dbraw/zinc/60/16/08/1070601608.db2.gz CFENZVJBENRRQR-LJQANCHMSA-N 2 1 458.607 0.683 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000590644740 1070600674 /nfs/dbraw/zinc/60/06/74/1070600674.db2.gz VFLGIHJZNQEXKV-JOCHJYFZSA-N 2 1 470.618 0.922 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000590644741 1070600556 /nfs/dbraw/zinc/60/05/56/1070600556.db2.gz VFLGIHJZNQEXKV-QFIPXVFZSA-N 2 1 470.618 0.922 20 0 JCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590644898 1070600545 /nfs/dbraw/zinc/60/05/45/1070600545.db2.gz WWGKPIYQJNHCNB-IBGZPJMESA-N 2 1 458.607 0.683 20 0 JCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590644898 1070600542 /nfs/dbraw/zinc/60/05/42/1070600542.db2.gz WWGKPIYQJNHCNB-IBGZPJMESA-N 2 1 458.607 0.683 20 0 JCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590644899 1070600770 /nfs/dbraw/zinc/60/07/70/1070600770.db2.gz WWGKPIYQJNHCNB-LJQANCHMSA-N 2 1 458.607 0.683 20 0 JCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590644899 1070600764 /nfs/dbraw/zinc/60/07/64/1070600764.db2.gz WWGKPIYQJNHCNB-LJQANCHMSA-N 2 1 458.607 0.683 20 0 JCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590645022 1070599696 /nfs/dbraw/zinc/59/96/96/1070599696.db2.gz BQWWGOSWALCNPY-IBGZPJMESA-N 2 1 458.607 0.682 20 0 JCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590645022 1070599681 /nfs/dbraw/zinc/59/96/81/1070599681.db2.gz BQWWGOSWALCNPY-IBGZPJMESA-N 2 1 458.607 0.682 20 0 JCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590645023 1070599784 /nfs/dbraw/zinc/59/97/84/1070599784.db2.gz BQWWGOSWALCNPY-LJQANCHMSA-N 2 1 458.607 0.682 20 0 JCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000590645023 1070599767 /nfs/dbraw/zinc/59/97/67/1070599767.db2.gz BQWWGOSWALCNPY-LJQANCHMSA-N 2 1 458.607 0.682 20 0 JCADMP CC(C)[NH+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000590645030 1070599983 /nfs/dbraw/zinc/59/99/83/1070599983.db2.gz DIDVVDBEGUPODL-GOSISDBHSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[NH+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000590645030 1070599976 /nfs/dbraw/zinc/59/99/76/1070599976.db2.gz DIDVVDBEGUPODL-GOSISDBHSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000590645030 1070599963 /nfs/dbraw/zinc/59/99/63/1070599963.db2.gz DIDVVDBEGUPODL-GOSISDBHSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000590645030 1070599956 /nfs/dbraw/zinc/59/99/56/1070599956.db2.gz DIDVVDBEGUPODL-GOSISDBHSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000590645031 1070599608 /nfs/dbraw/zinc/59/96/08/1070599608.db2.gz DIDVVDBEGUPODL-SFHVURJKSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000590645031 1070599592 /nfs/dbraw/zinc/59/95/92/1070599592.db2.gz DIDVVDBEGUPODL-SFHVURJKSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000590645031 1070599579 /nfs/dbraw/zinc/59/95/79/1070599579.db2.gz DIDVVDBEGUPODL-SFHVURJKSA-N 2 1 465.620 0.798 20 0 JCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000590645031 1070599566 /nfs/dbraw/zinc/59/95/66/1070599566.db2.gz DIDVVDBEGUPODL-SFHVURJKSA-N 2 1 465.620 0.798 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000590645180 1070599865 /nfs/dbraw/zinc/59/98/65/1070599865.db2.gz KWMJEBJKOHXGGN-IBGZPJMESA-N 2 1 463.604 0.648 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000590645180 1070599851 /nfs/dbraw/zinc/59/98/51/1070599851.db2.gz KWMJEBJKOHXGGN-IBGZPJMESA-N 2 1 463.604 0.648 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000590645181 1070599484 /nfs/dbraw/zinc/59/94/84/1070599484.db2.gz KWMJEBJKOHXGGN-LJQANCHMSA-N 2 1 463.604 0.648 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000590645181 1070599473 /nfs/dbraw/zinc/59/94/73/1070599473.db2.gz KWMJEBJKOHXGGN-LJQANCHMSA-N 2 1 463.604 0.648 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000590645444 1070603308 /nfs/dbraw/zinc/60/33/08/1070603308.db2.gz WJHBPRLUUCKKQB-NRFANRHFSA-N 2 1 456.591 0.532 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000590645445 1070603143 /nfs/dbraw/zinc/60/31/43/1070603143.db2.gz WJHBPRLUUCKKQB-OAQYLSRUSA-N 2 1 456.591 0.532 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000590645741 1070602337 /nfs/dbraw/zinc/60/23/37/1070602337.db2.gz OFQYXNUSZZHOBF-JOCHJYFZSA-N 2 1 488.633 0.405 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000590645744 1070602478 /nfs/dbraw/zinc/60/24/78/1070602478.db2.gz OFQYXNUSZZHOBF-QFIPXVFZSA-N 2 1 488.633 0.405 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000590825141 1070613864 /nfs/dbraw/zinc/61/38/64/1070613864.db2.gz DVOCTWJIMDGAKX-UHFFFAOYSA-N 2 1 485.633 0.669 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)CC1 ZINC000590825147 1070613974 /nfs/dbraw/zinc/61/39/74/1070613974.db2.gz FIQRYSAPYOLFBM-UHFFFAOYSA-N 2 1 492.646 0.785 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)CC1 ZINC000590825147 1070613971 /nfs/dbraw/zinc/61/39/71/1070613971.db2.gz FIQRYSAPYOLFBM-UHFFFAOYSA-N 2 1 492.646 0.785 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)CC1 ZINC000590879195 1070614835 /nfs/dbraw/zinc/61/48/35/1070614835.db2.gz XQTWLJBVWZTWSF-UHFFFAOYSA-N 2 1 484.601 0.169 20 0 JCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000590972827 1070623056 /nfs/dbraw/zinc/62/30/56/1070623056.db2.gz CYMGFQVULYGHKY-UHFFFAOYSA-N 2 1 487.649 0.915 20 0 JCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000590992024 1070625435 /nfs/dbraw/zinc/62/54/35/1070625435.db2.gz ZUQYVBFWLOOYKW-UHFFFAOYSA-N 2 1 486.617 0.415 20 0 JCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000590992284 1070625229 /nfs/dbraw/zinc/62/52/29/1070625229.db2.gz IRGSGLLEVOTABO-UHFFFAOYSA-N 2 1 458.607 0.636 20 0 JCADMP CC[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000591440358 1070670666 /nfs/dbraw/zinc/67/06/66/1070670666.db2.gz FDQSFPCKOSGMBW-PMACEKPBSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440358 1070670664 /nfs/dbraw/zinc/67/06/64/1070670664.db2.gz FDQSFPCKOSGMBW-PMACEKPBSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440358 1070670659 /nfs/dbraw/zinc/67/06/59/1070670659.db2.gz FDQSFPCKOSGMBW-PMACEKPBSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000591440359 1070670554 /nfs/dbraw/zinc/67/05/54/1070670554.db2.gz FDQSFPCKOSGMBW-UXHICEINSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440359 1070670549 /nfs/dbraw/zinc/67/05/49/1070670549.db2.gz FDQSFPCKOSGMBW-UXHICEINSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440359 1070670546 /nfs/dbraw/zinc/67/05/46/1070670546.db2.gz FDQSFPCKOSGMBW-UXHICEINSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000591440360 1070670715 /nfs/dbraw/zinc/67/07/15/1070670715.db2.gz FDQSFPCKOSGMBW-VQTJNVASSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440360 1070670711 /nfs/dbraw/zinc/67/07/11/1070670711.db2.gz FDQSFPCKOSGMBW-VQTJNVASSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440360 1070670706 /nfs/dbraw/zinc/67/07/06/1070670706.db2.gz FDQSFPCKOSGMBW-VQTJNVASSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000591440361 1070670585 /nfs/dbraw/zinc/67/05/85/1070670585.db2.gz FDQSFPCKOSGMBW-WOJBJXKFSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440361 1070670581 /nfs/dbraw/zinc/67/05/81/1070670581.db2.gz FDQSFPCKOSGMBW-WOJBJXKFSA-N 2 1 471.668 0.325 20 0 JCADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000591440361 1070670573 /nfs/dbraw/zinc/67/05/73/1070670573.db2.gz FDQSFPCKOSGMBW-WOJBJXKFSA-N 2 1 471.668 0.325 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591503936 1070676581 /nfs/dbraw/zinc/67/65/81/1070676581.db2.gz DLBHEJBJQIBBJO-GOSISDBHSA-N 2 1 460.579 0.792 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591503936 1070676576 /nfs/dbraw/zinc/67/65/76/1070676576.db2.gz DLBHEJBJQIBBJO-GOSISDBHSA-N 2 1 460.579 0.792 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000591503940 1070676554 /nfs/dbraw/zinc/67/65/54/1070676554.db2.gz DLBHEJBJQIBBJO-SFHVURJKSA-N 2 1 460.579 0.792 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000591503940 1070676542 /nfs/dbraw/zinc/67/65/42/1070676542.db2.gz DLBHEJBJQIBBJO-SFHVURJKSA-N 2 1 460.579 0.792 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000591513335 1070678572 /nfs/dbraw/zinc/67/85/72/1070678572.db2.gz AIPKYWRZOKIGHY-IBGZPJMESA-N 2 1 473.622 0.606 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000591513335 1070678567 /nfs/dbraw/zinc/67/85/67/1070678567.db2.gz AIPKYWRZOKIGHY-IBGZPJMESA-N 2 1 473.622 0.606 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000591513341 1070678522 /nfs/dbraw/zinc/67/85/22/1070678522.db2.gz AIPKYWRZOKIGHY-LJQANCHMSA-N 2 1 473.622 0.606 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000591513341 1070678516 /nfs/dbraw/zinc/67/85/16/1070678516.db2.gz AIPKYWRZOKIGHY-LJQANCHMSA-N 2 1 473.622 0.606 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000591513356 1070678223 /nfs/dbraw/zinc/67/82/23/1070678223.db2.gz AQYJTJUSTQNETK-JOCHJYFZSA-N 2 1 487.649 0.961 20 0 JCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000591513356 1070678211 /nfs/dbraw/zinc/67/82/11/1070678211.db2.gz AQYJTJUSTQNETK-JOCHJYFZSA-N 2 1 487.649 0.961 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000591513364 1070678604 /nfs/dbraw/zinc/67/86/04/1070678604.db2.gz AQYJTJUSTQNETK-QFIPXVFZSA-N 2 1 487.649 0.961 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000591513364 1070678597 /nfs/dbraw/zinc/67/85/97/1070678597.db2.gz AQYJTJUSTQNETK-QFIPXVFZSA-N 2 1 487.649 0.961 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000591513977 1070678178 /nfs/dbraw/zinc/67/81/78/1070678178.db2.gz PKMUECXMZSGOQC-GOSISDBHSA-N 2 1 480.635 0.722 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000591513977 1070678174 /nfs/dbraw/zinc/67/81/74/1070678174.db2.gz PKMUECXMZSGOQC-GOSISDBHSA-N 2 1 480.635 0.722 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000591513977 1070678160 /nfs/dbraw/zinc/67/81/60/1070678160.db2.gz PKMUECXMZSGOQC-GOSISDBHSA-N 2 1 480.635 0.722 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000591513977 1070678151 /nfs/dbraw/zinc/67/81/51/1070678151.db2.gz PKMUECXMZSGOQC-GOSISDBHSA-N 2 1 480.635 0.722 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000591513978 1070678406 /nfs/dbraw/zinc/67/84/06/1070678406.db2.gz PKMUECXMZSGOQC-SFHVURJKSA-N 2 1 480.635 0.722 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000591513978 1070678399 /nfs/dbraw/zinc/67/83/99/1070678399.db2.gz PKMUECXMZSGOQC-SFHVURJKSA-N 2 1 480.635 0.722 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000591513978 1070678390 /nfs/dbraw/zinc/67/83/90/1070678390.db2.gz PKMUECXMZSGOQC-SFHVURJKSA-N 2 1 480.635 0.722 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000591513978 1070678379 /nfs/dbraw/zinc/67/83/79/1070678379.db2.gz PKMUECXMZSGOQC-SFHVURJKSA-N 2 1 480.635 0.722 20 0 JCADMP O=C(COCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000591800175 1070695760 /nfs/dbraw/zinc/69/57/60/1070695760.db2.gz DXPHHIFDFOOIKU-FGZHOGPDSA-N 2 1 466.623 0.430 20 0 JCADMP O=C(COCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591800185 1070695558 /nfs/dbraw/zinc/69/55/58/1070695558.db2.gz DXPHHIFDFOOIKU-SZPZYZBQSA-N 2 1 466.623 0.430 20 0 JCADMP O=C(COCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591800185 1070695551 /nfs/dbraw/zinc/69/55/51/1070695551.db2.gz DXPHHIFDFOOIKU-SZPZYZBQSA-N 2 1 466.623 0.430 20 0 JCADMP O=C(COCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000591800185 1070695546 /nfs/dbraw/zinc/69/55/46/1070695546.db2.gz DXPHHIFDFOOIKU-SZPZYZBQSA-N 2 1 466.623 0.430 20 0 JCADMP O=C(COCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591800186 1070695613 /nfs/dbraw/zinc/69/56/13/1070695613.db2.gz DXPHHIFDFOOIKU-VXKWHMMOSA-N 2 1 466.623 0.430 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)cc2)CC1 ZINC000591856978 1070701299 /nfs/dbraw/zinc/70/12/99/1070701299.db2.gz RYELUEBHSPDJLF-UHFFFAOYSA-N 2 1 471.602 0.703 20 0 JCADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000593548225 1070710707 /nfs/dbraw/zinc/71/07/07/1070710707.db2.gz FFBUHOOZORYJCT-UHFFFAOYSA-N 2 1 459.591 0.968 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000593565001 1070710941 /nfs/dbraw/zinc/71/09/41/1070710941.db2.gz IXOJPBWUZIHIIQ-UHFFFAOYSA-N 2 1 495.628 0.821 20 0 JCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000594146198 1070720803 /nfs/dbraw/zinc/72/08/03/1070720803.db2.gz UGSWXQLNRLCLCI-LEWJYISDSA-N 2 1 457.623 0.965 20 0 JCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000594146199 1070720741 /nfs/dbraw/zinc/72/07/41/1070720741.db2.gz UGSWXQLNRLCLCI-NHCUHLMSSA-N 2 1 457.623 0.965 20 0 JCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000594146200 1070720984 /nfs/dbraw/zinc/72/09/84/1070720984.db2.gz UGSWXQLNRLCLCI-RTWAWAEBSA-N 2 1 457.623 0.965 20 0 JCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000594146201 1070720602 /nfs/dbraw/zinc/72/06/02/1070720602.db2.gz UGSWXQLNRLCLCI-SFTDATJTSA-N 2 1 457.623 0.965 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000594361964 1070725304 /nfs/dbraw/zinc/72/53/04/1070725304.db2.gz RUMVCRLWVKANFJ-JOCHJYFZSA-N 2 1 470.618 0.922 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000594361969 1070725223 /nfs/dbraw/zinc/72/52/23/1070725223.db2.gz RUMVCRLWVKANFJ-QFIPXVFZSA-N 2 1 470.618 0.922 20 0 JCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875273 1070731877 /nfs/dbraw/zinc/73/18/77/1070731877.db2.gz JIEAMNWIDQVUSC-PBHICJAKSA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875273 1070731872 /nfs/dbraw/zinc/73/18/72/1070731872.db2.gz JIEAMNWIDQVUSC-PBHICJAKSA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875274 1070732090 /nfs/dbraw/zinc/73/20/90/1070732090.db2.gz JIEAMNWIDQVUSC-RHSMWYFYSA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875274 1070732079 /nfs/dbraw/zinc/73/20/79/1070732079.db2.gz JIEAMNWIDQVUSC-RHSMWYFYSA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875275 1070731947 /nfs/dbraw/zinc/73/19/47/1070731947.db2.gz JIEAMNWIDQVUSC-WMLDXEAASA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875275 1070731938 /nfs/dbraw/zinc/73/19/38/1070731938.db2.gz JIEAMNWIDQVUSC-WMLDXEAASA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875276 1070732022 /nfs/dbraw/zinc/73/20/22/1070732022.db2.gz JIEAMNWIDQVUSC-YOEHRIQHSA-N 2 1 469.995 0.697 20 0 JCADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CCN2C1=O ZINC000594875276 1070732013 /nfs/dbraw/zinc/73/20/13/1070732013.db2.gz JIEAMNWIDQVUSC-YOEHRIQHSA-N 2 1 469.995 0.697 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000595114989 1070737896 /nfs/dbraw/zinc/73/78/96/1070737896.db2.gz KWRBCANBTIKNER-FQEVSTJZSA-N 2 1 456.591 0.436 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000595114989 1070737888 /nfs/dbraw/zinc/73/78/88/1070737888.db2.gz KWRBCANBTIKNER-FQEVSTJZSA-N 2 1 456.591 0.436 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000595114990 1070737349 /nfs/dbraw/zinc/73/73/49/1070737349.db2.gz KWRBCANBTIKNER-HXUWFJFHSA-N 2 1 456.591 0.436 20 0 JCADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000595114990 1070737332 /nfs/dbraw/zinc/73/73/32/1070737332.db2.gz KWRBCANBTIKNER-HXUWFJFHSA-N 2 1 456.591 0.436 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000595115426 1070737728 /nfs/dbraw/zinc/73/77/28/1070737728.db2.gz RXSBWYSTDZSCGP-IBGZPJMESA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)CC1 ZINC000595115426 1070737719 /nfs/dbraw/zinc/73/77/19/1070737719.db2.gz RXSBWYSTDZSCGP-IBGZPJMESA-N 2 1 463.604 0.552 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+](CC4CC4)C3)c2)CC1 ZINC000595115426 1070737715 /nfs/dbraw/zinc/73/77/15/1070737715.db2.gz RXSBWYSTDZSCGP-IBGZPJMESA-N 2 1 463.604 0.552 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3CC[NH+](CC4CC4)C3)c2)CC1 ZINC000595115426 1070737709 /nfs/dbraw/zinc/73/77/09/1070737709.db2.gz RXSBWYSTDZSCGP-IBGZPJMESA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000595115429 1070737675 /nfs/dbraw/zinc/73/76/75/1070737675.db2.gz RXSBWYSTDZSCGP-LJQANCHMSA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)CC1 ZINC000595115429 1070737669 /nfs/dbraw/zinc/73/76/69/1070737669.db2.gz RXSBWYSTDZSCGP-LJQANCHMSA-N 2 1 463.604 0.552 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+](CC4CC4)C3)c2)CC1 ZINC000595115429 1070737661 /nfs/dbraw/zinc/73/76/61/1070737661.db2.gz RXSBWYSTDZSCGP-LJQANCHMSA-N 2 1 463.604 0.552 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+](CC4CC4)C3)c2)CC1 ZINC000595115429 1070737654 /nfs/dbraw/zinc/73/76/54/1070737654.db2.gz RXSBWYSTDZSCGP-LJQANCHMSA-N 2 1 463.604 0.552 20 0 JCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000596525226 1067654571 /nfs/dbraw/zinc/65/45/71/1067654571.db2.gz SYUWSAUDLQWABE-UHFFFAOYSA-N 2 1 459.591 0.968 20 0 JCADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC000603781730 1067697264 /nfs/dbraw/zinc/69/72/64/1067697264.db2.gz UFIVHOROWUGVFB-PMACEKPBSA-N 2 1 480.606 0.207 20 0 JCADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)C1 ZINC000603781731 1067697353 /nfs/dbraw/zinc/69/73/53/1067697353.db2.gz UFIVHOROWUGVFB-WOJBJXKFSA-N 2 1 480.606 0.207 20 0 JCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000616247485 1069014872 /nfs/dbraw/zinc/01/48/72/1069014872.db2.gz NCTYQLNASZQUIO-NRFANRHFSA-N 2 1 459.591 0.795 20 0 JCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000616247486 1069014607 /nfs/dbraw/zinc/01/46/07/1069014607.db2.gz NCTYQLNASZQUIO-OAQYLSRUSA-N 2 1 459.591 0.795 20 0 JCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H](C)O1 ZINC000616309260 1069019416 /nfs/dbraw/zinc/01/94/16/1069019416.db2.gz PLYIVCCBFQTINO-HDICACEKSA-N 2 1 459.591 0.938 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000616833782 1069071617 /nfs/dbraw/zinc/07/16/17/1069071617.db2.gz STVQBRWBCXVIRO-UHFFFAOYSA-N 2 1 470.618 0.182 20 0 JCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000616888925 1069082919 /nfs/dbraw/zinc/08/29/19/1069082919.db2.gz TXPTWLANGLIBOC-UHFFFAOYSA-N 2 1 450.543 0.685 20 0 JCADMP CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2)CC1 ZINC000619176628 1069153878 /nfs/dbraw/zinc/15/38/78/1069153878.db2.gz IZLCYQKVTRSYFZ-UHFFFAOYSA-N 2 1 486.598 0.939 20 0 JCADMP CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2)CC1 ZINC000619177347 1069154255 /nfs/dbraw/zinc/15/42/55/1069154255.db2.gz GSRGUMXJPRLZGU-UHFFFAOYSA-N 2 1 486.598 0.939 20 0 JCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000620303131 1069181220 /nfs/dbraw/zinc/18/12/20/1069181220.db2.gz JBPNGTOQNLSBDA-UHFFFAOYSA-N 2 1 479.553 0.652 20 0 JCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000620831831 1069198508 /nfs/dbraw/zinc/19/85/08/1069198508.db2.gz HXWMFDLCNTVSFL-UHFFFAOYSA-N 2 1 466.542 0.765 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](C)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000621017095 1069205632 /nfs/dbraw/zinc/20/56/32/1069205632.db2.gz SBWRBHBBMCUGHM-IBGZPJMESA-N 2 1 458.607 0.545 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000621017096 1069205931 /nfs/dbraw/zinc/20/59/31/1069205931.db2.gz SBWRBHBBMCUGHM-LJQANCHMSA-N 2 1 458.607 0.545 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000621018313 1069206584 /nfs/dbraw/zinc/20/65/84/1069206584.db2.gz QBXWOIPOORJCQA-UHFFFAOYSA-N 2 1 470.618 0.643 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000621019839 1069206981 /nfs/dbraw/zinc/20/69/81/1069206981.db2.gz OHZABHLHWHJTNG-UHFFFAOYSA-N 2 1 471.602 0.974 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccc2oc1=O ZINC000622162110 1069221329 /nfs/dbraw/zinc/22/13/29/1069221329.db2.gz ANDQNLQIQTVACR-GOSISDBHSA-N 2 1 459.547 0.808 20 0 JCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)ccc2oc1=O ZINC000622162111 1069221309 /nfs/dbraw/zinc/22/13/09/1069221309.db2.gz ANDQNLQIQTVACR-SFHVURJKSA-N 2 1 459.547 0.808 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2)CC1 ZINC000623169397 1069235936 /nfs/dbraw/zinc/23/59/36/1069235936.db2.gz OCDLXELYSSYWJJ-NRFANRHFSA-N 2 1 459.591 0.972 20 0 JCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2)CC1 ZINC000623169398 1069235834 /nfs/dbraw/zinc/23/58/34/1069235834.db2.gz OCDLXELYSSYWJJ-OAQYLSRUSA-N 2 1 459.591 0.972 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000624650356 1069455801 /nfs/dbraw/zinc/45/58/01/1069455801.db2.gz GQKZXEZHZZVAEL-GOSISDBHSA-N 2 1 455.625 0.534 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000624650357 1069455571 /nfs/dbraw/zinc/45/55/71/1069455571.db2.gz GQKZXEZHZZVAEL-SFHVURJKSA-N 2 1 455.625 0.534 20 0 JCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)CC2)c1 ZINC000630343154 1070520585 /nfs/dbraw/zinc/52/05/85/1070520585.db2.gz CLPHJJFEXMZNEO-UHFFFAOYSA-N 2 1 453.547 0.931 20 0 JCADMP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000630343945 1070520876 /nfs/dbraw/zinc/52/08/76/1070520876.db2.gz YMUVKGCPUHIZPD-UHFFFAOYSA-N 2 1 464.614 0.964 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000642756607 1070625950 /nfs/dbraw/zinc/62/59/50/1070625950.db2.gz YSDYZJHOGDVDFW-UHFFFAOYSA-N 2 1 494.662 0.618 20 0 JCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000642965353 1070659276 /nfs/dbraw/zinc/65/92/76/1070659276.db2.gz DTNIWSYFFIZSGR-UHFFFAOYSA-N 2 1 455.563 0.814 20 0 JCADMP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000642971594 1070664186 /nfs/dbraw/zinc/66/41/86/1070664186.db2.gz QNZLIELEDOBAFO-HSZRJFAPSA-N 2 1 453.587 0.982 20 0 JCADMP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000642971595 1070664292 /nfs/dbraw/zinc/66/42/92/1070664292.db2.gz QNZLIELEDOBAFO-QHCPKHFHSA-N 2 1 453.587 0.982 20 0 JCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000643040478 1070691300 /nfs/dbraw/zinc/69/13/00/1070691300.db2.gz CTXULJCDNYKLNJ-UHFFFAOYSA-N 2 1 472.590 0.766 20 0 JCADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000643040494 1070692181 /nfs/dbraw/zinc/69/21/81/1070692181.db2.gz FYWDMOGONLXQQO-UHFFFAOYSA-N 2 1 464.998 0.747 20 0 JCADMP C[C@H](CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000643071255 1070701934 /nfs/dbraw/zinc/70/19/34/1070701934.db2.gz BRFRMZQKVUXEPY-GOSISDBHSA-N 2 1 494.662 0.618 20 0 JCADMP C[C@@H](CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000643071256 1070701970 /nfs/dbraw/zinc/70/19/70/1070701970.db2.gz BRFRMZQKVUXEPY-SFHVURJKSA-N 2 1 494.662 0.618 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000643071337 1070701573 /nfs/dbraw/zinc/70/15/73/1070701573.db2.gz HXQVZNPYIKHVGT-KRWDZBQOSA-N 2 1 482.651 0.474 20 0 JCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000643071338 1067941461 /nfs/dbraw/zinc/94/14/61/1067941461.db2.gz HXQVZNPYIKHVGT-QGZVFWFLSA-N 2 1 482.651 0.474 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000725717601 1070873749 /nfs/dbraw/zinc/87/37/49/1070873749.db2.gz OOMAXUPYXJTPSJ-GOSISDBHSA-N 2 1 466.604 0.966 20 0 JCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000725717609 1070873825 /nfs/dbraw/zinc/87/38/25/1070873825.db2.gz OOMAXUPYXJTPSJ-SFHVURJKSA-N 2 1 466.604 0.966 20 0 JCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)CC1 ZINC000726312150 1070949940 /nfs/dbraw/zinc/94/99/40/1070949940.db2.gz DMRYCQWQWCRVPK-NRFANRHFSA-N 2 1 458.607 0.826 20 0 JCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)CC1 ZINC000726312152 1070949971 /nfs/dbraw/zinc/94/99/71/1070949971.db2.gz DMRYCQWQWCRVPK-OAQYLSRUSA-N 2 1 458.607 0.826 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000726312849 1070950439 /nfs/dbraw/zinc/95/04/39/1070950439.db2.gz RROPWTIZOJOCIT-NRFANRHFSA-N 2 1 458.607 0.826 20 0 JCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000726312849 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1 480.613 0.704 20 0 JCADMP O[C@@H]1C[C@H]2C[NH+](CCOCC[N@@H+]3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)Cc3cccnc3N2C1 ZINC000856554868 1070049824 /nfs/dbraw/zinc/04/98/24/1070049824.db2.gz OCAZSVWMPMUOGP-CJRSTVEYSA-N 2 1 480.613 0.704 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)ccn1 ZINC000856590262 1070052887 /nfs/dbraw/zinc/05/28/87/1070052887.db2.gz YLGZQXTYZGRHOQ-IBGZPJMESA-N 2 1 455.563 0.824 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)ccn1 ZINC000856590262 1070052875 /nfs/dbraw/zinc/05/28/75/1070052875.db2.gz YLGZQXTYZGRHOQ-IBGZPJMESA-N 2 1 455.563 0.824 20 0 JCADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)ccn1 ZINC000856590262 1070052862 /nfs/dbraw/zinc/05/28/62/1070052862.db2.gz YLGZQXTYZGRHOQ-IBGZPJMESA-N 2 1 455.563 0.824 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)ccn1 ZINC000856590263 1070052590 /nfs/dbraw/zinc/05/25/90/1070052590.db2.gz YLGZQXTYZGRHOQ-LJQANCHMSA-N 2 1 455.563 0.824 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)ccn1 ZINC000856590263 1070052577 /nfs/dbraw/zinc/05/25/77/1070052577.db2.gz YLGZQXTYZGRHOQ-LJQANCHMSA-N 2 1 455.563 0.824 20 0 JCADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)ccn1 ZINC000856590263 1070052562 /nfs/dbraw/zinc/05/25/62/1070052562.db2.gz YLGZQXTYZGRHOQ-LJQANCHMSA-N 2 1 455.563 0.824 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598039 1070054080 /nfs/dbraw/zinc/05/40/80/1070054080.db2.gz DYKLWHLXSYXXTI-JOCHJYFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598039 1070054065 /nfs/dbraw/zinc/05/40/65/1070054065.db2.gz DYKLWHLXSYXXTI-JOCHJYFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598039 1070054058 /nfs/dbraw/zinc/05/40/58/1070054058.db2.gz DYKLWHLXSYXXTI-JOCHJYFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598039 1070054045 /nfs/dbraw/zinc/05/40/45/1070054045.db2.gz DYKLWHLXSYXXTI-JOCHJYFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598040 1070053717 /nfs/dbraw/zinc/05/37/17/1070053717.db2.gz DYKLWHLXSYXXTI-QFIPXVFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598040 1070053705 /nfs/dbraw/zinc/05/37/05/1070053705.db2.gz DYKLWHLXSYXXTI-QFIPXVFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598040 1070053691 /nfs/dbraw/zinc/05/36/91/1070053691.db2.gz DYKLWHLXSYXXTI-QFIPXVFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)ccn1 ZINC000856598040 1070053670 /nfs/dbraw/zinc/05/36/70/1070053670.db2.gz DYKLWHLXSYXXTI-QFIPXVFZSA-N 2 1 460.623 0.607 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)ccn1 ZINC000856602359 1070054917 /nfs/dbraw/zinc/05/49/17/1070054917.db2.gz VEYXFRXRQUIGMM-IBGZPJMESA-N 2 1 455.563 0.822 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)ccn1 ZINC000856602359 1070054906 /nfs/dbraw/zinc/05/49/06/1070054906.db2.gz VEYXFRXRQUIGMM-IBGZPJMESA-N 2 1 455.563 0.822 20 0 JCADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)ccn1 ZINC000856602359 1070054893 /nfs/dbraw/zinc/05/48/93/1070054893.db2.gz VEYXFRXRQUIGMM-IBGZPJMESA-N 2 1 455.563 0.822 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)ccn1 ZINC000856602360 1070054776 /nfs/dbraw/zinc/05/47/76/1070054776.db2.gz VEYXFRXRQUIGMM-LJQANCHMSA-N 2 1 455.563 0.822 20 0 JCADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)ccn1 ZINC000856602360 1070054761 /nfs/dbraw/zinc/05/47/61/1070054761.db2.gz VEYXFRXRQUIGMM-LJQANCHMSA-N 2 1 455.563 0.822 20 0 JCADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)ccn1 ZINC000856602360 1070054744 /nfs/dbraw/zinc/05/47/44/1070054744.db2.gz VEYXFRXRQUIGMM-LJQANCHMSA-N 2 1 455.563 0.822 20 0 JCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000884003958 1070325689 /nfs/dbraw/zinc/32/56/89/1070325689.db2.gz WRICQXHRPBGUFW-PMACEKPBSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000884003958 1070325670 /nfs/dbraw/zinc/32/56/70/1070325670.db2.gz WRICQXHRPBGUFW-PMACEKPBSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(CCNC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000884003958 1070325648 /nfs/dbraw/zinc/32/56/48/1070325648.db2.gz WRICQXHRPBGUFW-PMACEKPBSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000884003959 1070325981 /nfs/dbraw/zinc/32/59/81/1070325981.db2.gz WRICQXHRPBGUFW-UXHICEINSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000884003959 1070325961 /nfs/dbraw/zinc/32/59/61/1070325961.db2.gz WRICQXHRPBGUFW-UXHICEINSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CCN(CCNC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000884003959 1070325941 /nfs/dbraw/zinc/32/59/41/1070325941.db2.gz WRICQXHRPBGUFW-UXHICEINSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000884003960 1070325805 /nfs/dbraw/zinc/32/58/05/1070325805.db2.gz WRICQXHRPBGUFW-VQTJNVASSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000884003960 1070325789 /nfs/dbraw/zinc/32/57/89/1070325789.db2.gz WRICQXHRPBGUFW-VQTJNVASSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(CCNC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000884003960 1070325772 /nfs/dbraw/zinc/32/57/72/1070325772.db2.gz WRICQXHRPBGUFW-VQTJNVASSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000884003961 1070325868 /nfs/dbraw/zinc/32/58/68/1070325868.db2.gz WRICQXHRPBGUFW-WOJBJXKFSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCN1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000884003961 1070325848 /nfs/dbraw/zinc/32/58/48/1070325848.db2.gz WRICQXHRPBGUFW-WOJBJXKFSA-N 2 1 469.769 0.911 20 0 JCADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCN(CCNC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000884003961 1070325839 /nfs/dbraw/zinc/32/58/39/1070325839.db2.gz WRICQXHRPBGUFW-WOJBJXKFSA-N 2 1 469.769 0.911 20 0 JCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000887557377 1070334559 /nfs/dbraw/zinc/33/45/59/1070334559.db2.gz KFQIVQZRCIRHBU-DNQXCXABSA-N 2 1 466.582 0.752 20 0 JCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000887557378 1070334641 /nfs/dbraw/zinc/33/46/41/1070334641.db2.gz KFQIVQZRCIRHBU-PSWAGMNNSA-N 2 1 466.582 0.752 20 0 JCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000887557378 1070334634 /nfs/dbraw/zinc/33/46/34/1070334634.db2.gz KFQIVQZRCIRHBU-PSWAGMNNSA-N 2 1 466.582 0.752 20 0 JCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000887557378 1070334620 /nfs/dbraw/zinc/33/46/20/1070334620.db2.gz KFQIVQZRCIRHBU-PSWAGMNNSA-N 2 1 466.582 0.752 20 0 JCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000887557379 1070334778 /nfs/dbraw/zinc/33/47/78/1070334778.db2.gz KFQIVQZRCIRHBU-ZEQRLZLVSA-N 2 1 466.582 0.752 20 0 JCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000915756993 1068045771 /nfs/dbraw/zinc/04/57/71/1068045771.db2.gz IHKZXOUPGQLZLP-UHFFFAOYSA-N 2 1 466.590 0.495 20 0 JCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000915757097 1068046389 /nfs/dbraw/zinc/04/63/89/1068046389.db2.gz NJAIUGFIDOSRFP-UHFFFAOYSA-N 2 1 480.617 0.886 20 0 JCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000915774987 1068056417 /nfs/dbraw/zinc/05/64/17/1068056417.db2.gz OHJXKRAVIVMEDM-UHFFFAOYSA-N 2 1 458.607 0.874 20 0 JCADMP O=C(C[NH+]1CCC[C@H](c2cc[nH]n2)C1)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000917173820 1068208394 /nfs/dbraw/zinc/20/83/94/1068208394.db2.gz IAWBDXRXDOGZKL-PMACEKPBSA-N 2 1 468.606 0.863 20 0 JCADMP O=C(C[NH+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000917173821 1068208747 /nfs/dbraw/zinc/20/87/47/1068208747.db2.gz IAWBDXRXDOGZKL-WOJBJXKFSA-N 2 1 468.606 0.863 20 0 JCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C1)C2=O ZINC000917618401 1068293860 /nfs/dbraw/zinc/29/38/60/1068293860.db2.gz GAWXPHPFAXWBRW-GOSISDBHSA-N 2 1 492.621 0.751 20 0 JCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C1)C2=O ZINC000917618401 1068293851 /nfs/dbraw/zinc/29/38/51/1068293851.db2.gz GAWXPHPFAXWBRW-GOSISDBHSA-N 2 1 492.621 0.751 20 0 JCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C1)C2=O ZINC000917618402 1068294112 /nfs/dbraw/zinc/29/41/12/1068294112.db2.gz GAWXPHPFAXWBRW-SFHVURJKSA-N 2 1 492.621 0.751 20 0 JCADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C1)C2=O ZINC000917618402 1068294107 /nfs/dbraw/zinc/29/41/07/1068294107.db2.gz GAWXPHPFAXWBRW-SFHVURJKSA-N 2 1 492.621 0.751 20 0 JCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000918254821 1068377772 /nfs/dbraw/zinc/37/77/72/1068377772.db2.gz NFQDYUGZGNFXEW-UHFFFAOYSA-N 2 1 480.617 0.886 20 0 JCADMP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000918254821 1068377748 /nfs/dbraw/zinc/37/77/48/1068377748.db2.gz NFQDYUGZGNFXEW-UHFFFAOYSA-N 2 1 480.617 0.886 20 0 JCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000918264606 1068382475 /nfs/dbraw/zinc/38/24/75/1068382475.db2.gz YENXRRJTOHMQBZ-UHFFFAOYSA-N 2 1 458.607 0.874 20 0 JCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918264606 1068382453 /nfs/dbraw/zinc/38/24/53/1068382453.db2.gz YENXRRJTOHMQBZ-UHFFFAOYSA-N 2 1 458.607 0.874 20 0 JCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000918269776 1068383454 /nfs/dbraw/zinc/38/34/54/1068383454.db2.gz FJINRTLDGLNTGD-UHFFFAOYSA-N 2 1 458.607 0.861 20 0 JCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)CC2)CC1 ZINC000918427648 1068454678 /nfs/dbraw/zinc/45/46/78/1068454678.db2.gz REBRUFHYBZXODS-UHFFFAOYSA-N 2 1 470.618 0.780 20 0 JCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)CC2)CC1 ZINC000918427648 1068454671 /nfs/dbraw/zinc/45/46/71/1068454671.db2.gz REBRUFHYBZXODS-UHFFFAOYSA-N 2 1 470.618 0.780 20 0 JCADMP COCCN1C(=O)c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2S1(=O)=O ZINC000919862692 1068794139 /nfs/dbraw/zinc/79/41/39/1068794139.db2.gz PQIXUTJAVDKJGO-UHFFFAOYSA-N 2 1 459.528 0.877 20 0 JCADMP CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)cn2)CC1 ZINC001136248425 1070316718 /nfs/dbraw/zinc/31/67/18/1070316718.db2.gz MUFJJFVNQXZGJW-NRFANRHFSA-N 2 1 458.607 0.553 20 0 JCADMP CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)cn2)CC1 ZINC001136248426 1070316163 /nfs/dbraw/zinc/31/61/63/1070316163.db2.gz MUFJJFVNQXZGJW-OAQYLSRUSA-N 2 1 458.607 0.553 20 0 JCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001136352924 1070333928 /nfs/dbraw/zinc/33/39/28/1070333928.db2.gz PLGLQEDIPAEBHK-HNNXBMFYSA-N 2 1 458.544 0.472 20 0 JCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001136352925 1070334686 /nfs/dbraw/zinc/33/46/86/1070334686.db2.gz PLGLQEDIPAEBHK-OAHLLOKOSA-N 2 1 458.544 0.472 20 0 JCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001136796826 1070370223 /nfs/dbraw/zinc/37/02/23/1070370223.db2.gz WSWXCSUARMDZMR-HSZRJFAPSA-N 2 1 458.603 0.973 20 0 JCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001136796827 1070369873 /nfs/dbraw/zinc/36/98/73/1070369873.db2.gz WSWXCSUARMDZMR-QHCPKHFHSA-N 2 1 458.603 0.973 20 0 JCADMP Cc1nc(S(=O)(=O)NCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1C ZINC001137148792 1070298858 /nfs/dbraw/zinc/29/88/58/1070298858.db2.gz RWTIEKRJWOVNTK-UHFFFAOYSA-N 2 1 454.641 0.662 20 0 JCADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CN(C)C(N)=[NH2+])cc1OC ZINC001144141254 1070416433 /nfs/dbraw/zinc/41/64/33/1070416433.db2.gz WYXMUHPRXAKQGT-AWEZNQCLSA-N 2 1 482.607 0.467 20 0 JCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CN(C)C(N)=[NH2+])cc1OC ZINC001144141254 1070416430 /nfs/dbraw/zinc/41/64/30/1070416430.db2.gz WYXMUHPRXAKQGT-AWEZNQCLSA-N 2 1 482.607 0.467 20 0 JCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CN(C)C(N)=[NH2+])cc1OC ZINC001144141257 1070416346 /nfs/dbraw/zinc/41/63/46/1070416346.db2.gz WYXMUHPRXAKQGT-CQSZACIVSA-N 2 1 482.607 0.467 20 0 JCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CN(C)C(N)=[NH2+])cc1OC ZINC001144141257 1070416339 /nfs/dbraw/zinc/41/63/39/1070416339.db2.gz WYXMUHPRXAKQGT-CQSZACIVSA-N 2 1 482.607 0.467 20 0 JCADMP COc1cc(N(C(=O)CN(C)C(N)=[NH2+])S(C)(=O)=O)c(Oc2ccccc2)cc1C(=O)C[NH3+] ZINC001144144482 1070416365 /nfs/dbraw/zinc/41/63/65/1070416365.db2.gz YKLSCBUYHSHNNB-UHFFFAOYSA-N 2 1 463.516 0.747 20 0 JCADMP COc1cccc(C[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001144942161 1070459624 /nfs/dbraw/zinc/45/96/24/1070459624.db2.gz CLMTYMVJPWQMSN-AMTPJJNTSA-N 2 1 466.623 0.861 20 0 JCADMP COc1cccc(C[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001144942171 1070459754 /nfs/dbraw/zinc/45/97/54/1070459754.db2.gz CLMTYMVJPWQMSN-MTHMIIMJSA-N 2 1 466.623 0.861 20 0 JCADMP COc1cccc(C[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001144942172 1070459921 /nfs/dbraw/zinc/45/99/21/1070459921.db2.gz CLMTYMVJPWQMSN-VDJOLXGHSA-N 2 1 466.623 0.861 20 0 JCADMP COc1cccc(C[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001144942173 1070459801 /nfs/dbraw/zinc/45/98/01/1070459801.db2.gz CLMTYMVJPWQMSN-XZOPAUEMSA-N 2 1 466.623 0.861 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@@H]2NCN[C@H]21 ZINC001146599061 1070519894 /nfs/dbraw/zinc/51/98/94/1070519894.db2.gz JHWYGXIAYNNYQT-HVJJONALSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@@H]2NCN[C@H]21 ZINC001146599061 1070519886 /nfs/dbraw/zinc/51/98/86/1070519886.db2.gz JHWYGXIAYNNYQT-HVJJONALSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@H]2NCN[C@H]21 ZINC001146599064 1070520021 /nfs/dbraw/zinc/52/00/21/1070520021.db2.gz JHWYGXIAYNNYQT-JUAMCIGQSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@H]2NCN[C@H]21 ZINC001146599064 1070520011 /nfs/dbraw/zinc/52/00/11/1070520011.db2.gz JHWYGXIAYNNYQT-JUAMCIGQSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@@H]2NCN[C@@H]21 ZINC001146599067 1070519823 /nfs/dbraw/zinc/51/98/23/1070519823.db2.gz JHWYGXIAYNNYQT-ORYGHMQNSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@@H]2NCN[C@@H]21 ZINC001146599067 1070519816 /nfs/dbraw/zinc/51/98/16/1070519816.db2.gz JHWYGXIAYNNYQT-ORYGHMQNSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@H]2NCN[C@@H]21 ZINC001146599070 1070519982 /nfs/dbraw/zinc/51/99/82/1070519982.db2.gz JHWYGXIAYNNYQT-ZVDSAJDTSA-N 2 1 452.534 0.323 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@H]2c2c(F)cccc2OC3)[C@H]2NCN[C@@H]21 ZINC001146599070 1070519974 /nfs/dbraw/zinc/51/99/74/1070519974.db2.gz JHWYGXIAYNNYQT-ZVDSAJDTSA-N 2 1 452.534 0.323 20 0 JCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001147113324 1070534830 /nfs/dbraw/zinc/53/48/30/1070534830.db2.gz PWQNDLGIARRUML-UHFFFAOYSA-N 2 1 451.572 0.442 20 0 JCADMP Cc1ncc(CO)c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1O ZINC001147843947 1070552514 /nfs/dbraw/zinc/55/25/14/1070552514.db2.gz JJJRNGWLFHUKES-GLMBBGGXSA-N 2 1 454.568 0.497 20 0 JCADMP Cc1ncc(CO)c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1O ZINC001147843948 1070552161 /nfs/dbraw/zinc/55/21/61/1070552161.db2.gz JJJRNGWLFHUKES-GLTASUDUSA-N 2 1 454.568 0.497 20 0 JCADMP Cc1ncc(CO)c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1O ZINC001147843949 1070552331 /nfs/dbraw/zinc/55/23/31/1070552331.db2.gz JJJRNGWLFHUKES-LEMNDHKUSA-N 2 1 454.568 0.497 20 0 JCADMP Cc1ncc(CO)c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1O ZINC001147843950 1070552359 /nfs/dbraw/zinc/55/23/59/1070552359.db2.gz JJJRNGWLFHUKES-MCMGAVPUSA-N 2 1 454.568 0.497 20 0 JCADMP C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c3=O ZINC001148157388 1070565338 /nfs/dbraw/zinc/56/53/38/1070565338.db2.gz VYXWPKVUQMVPOM-AWEZNQCLSA-N 2 1 473.553 0.920 20 0 JCADMP C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c3=O ZINC001148157389 1070565075 /nfs/dbraw/zinc/56/50/75/1070565075.db2.gz VYXWPKVUQMVPOM-CQSZACIVSA-N 2 1 473.553 0.920 20 0 JCADMP CC(C)(C)C(=O)Nc1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164391602 718809526 /nfs/dbraw/zinc/80/95/26/718809526.db2.gz WFFYURDBALMBEA-KRWDZBQOSA-N 2 1 458.607 0.939 20 0 JCADMP CC(C)(C)C(=O)Nc1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164391603 718809644 /nfs/dbraw/zinc/80/96/44/718809644.db2.gz WFFYURDBALMBEA-QGZVFWFLSA-N 2 1 458.607 0.939 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391648 718824140 /nfs/dbraw/zinc/82/41/40/718824140.db2.gz WDGILMVMLHOVPD-AZUAARDMSA-N 2 1 473.647 0.842 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391651 718824096 /nfs/dbraw/zinc/82/40/96/718824096.db2.gz WDGILMVMLHOVPD-ICSRJNTNSA-N 2 1 473.647 0.842 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391653 718824055 /nfs/dbraw/zinc/82/40/55/718824055.db2.gz WDGILMVMLHOVPD-QUCCMNQESA-N 2 1 473.647 0.842 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391655 718824246 /nfs/dbraw/zinc/82/42/46/718824246.db2.gz WDGILMVMLHOVPD-UYAOXDASSA-N 2 1 473.647 0.842 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CCN5CC[NH2+]C[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164401869 718838261 /nfs/dbraw/zinc/83/82/61/718838261.db2.gz BYRASJOVSOBHCA-GOSISDBHSA-N 2 1 472.663 0.369 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CCN5CC[NH2+]C[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164401876 718838115 /nfs/dbraw/zinc/83/81/15/718838115.db2.gz BYRASJOVSOBHCA-SFHVURJKSA-N 2 1 472.663 0.369 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4CCOCC45C[NH2+]C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164405454 718860505 /nfs/dbraw/zinc/86/05/05/718860505.db2.gz SCYXHMHNBZXHPH-UHFFFAOYSA-N 2 1 459.620 0.454 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5C[NH2+]C[C@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409536 718852657 /nfs/dbraw/zinc/85/26/57/718852657.db2.gz VOLARHSOEHAQPB-GAJHUEQPSA-N 2 1 473.647 0.293 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5C[NH2+]C[C@@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409539 718852887 /nfs/dbraw/zinc/85/28/87/718852887.db2.gz VOLARHSOEHAQPB-HXOBKFHXSA-N 2 1 473.647 0.293 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5C[NH2+]C[C@@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409541 718852642 /nfs/dbraw/zinc/85/26/42/718852642.db2.gz VOLARHSOEHAQPB-SBUREZEXSA-N 2 1 473.647 0.293 20 0 JCADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5C[NH2+]C[C@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409543 718852826 /nfs/dbraw/zinc/85/28/26/718852826.db2.gz VOLARHSOEHAQPB-UZUQRXQVSA-N 2 1 473.647 0.293 20 0 JCADMP CCOC(=O)C1CC[NH+](C2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC2)CC1 ZINC001164617591 719021230 /nfs/dbraw/zinc/02/12/30/719021230.db2.gz OSXSGWKVHZTTCE-UHFFFAOYSA-N 2 1 465.620 0.812 20 0 JCADMP COC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164679451 719643263 /nfs/dbraw/zinc/64/32/63/719643263.db2.gz AWCQEQFIXXIQBJ-UHFFFAOYSA-N 2 1 492.602 0.561 20 0 JCADMP COC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164679451 719643252 /nfs/dbraw/zinc/64/32/52/719643252.db2.gz AWCQEQFIXXIQBJ-UHFFFAOYSA-N 2 1 492.602 0.561 20 0 JCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740417 720843547 /nfs/dbraw/zinc/84/35/47/720843547.db2.gz BROQNGDUZIGNRP-CNNODRBYSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740417 720843545 /nfs/dbraw/zinc/84/35/45/720843545.db2.gz BROQNGDUZIGNRP-CNNODRBYSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164740420 720844002 /nfs/dbraw/zinc/84/40/02/720844002.db2.gz BROQNGDUZIGNRP-DXIQSLLYSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164740420 720844000 /nfs/dbraw/zinc/84/40/00/720844000.db2.gz BROQNGDUZIGNRP-DXIQSLLYSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164740423 720843876 /nfs/dbraw/zinc/84/38/76/720843876.db2.gz BROQNGDUZIGNRP-IPJJNNNSSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164740423 720843874 /nfs/dbraw/zinc/84/38/74/720843874.db2.gz BROQNGDUZIGNRP-IPJJNNNSSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740425 720843530 /nfs/dbraw/zinc/84/35/30/720843530.db2.gz BROQNGDUZIGNRP-XQBPLPMBSA-N 2 1 465.606 0.887 20 0 JCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740425 720843529 /nfs/dbraw/zinc/84/35/29/720843529.db2.gz BROQNGDUZIGNRP-XQBPLPMBSA-N 2 1 465.606 0.887 20 0 JCADMP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]CC2 ZINC001164750367 720809937 /nfs/dbraw/zinc/80/99/37/720809937.db2.gz VKLGKYZVNOBTJQ-BBTUJRGHSA-N 2 1 486.646 0.539 20 0 JCADMP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]CC2 ZINC001164750380 720810057 /nfs/dbraw/zinc/81/00/57/720810057.db2.gz VKLGKYZVNOBTJQ-DBXWQHBBSA-N 2 1 486.646 0.539 20 0 JCADMP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]CC2 ZINC001164750382 720809716 /nfs/dbraw/zinc/80/97/16/720809716.db2.gz VKLGKYZVNOBTJQ-LVCYWYKZSA-N 2 1 486.646 0.539 20 0 JCADMP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]CC2 ZINC001164750385 720809743 /nfs/dbraw/zinc/80/97/43/720809743.db2.gz VKLGKYZVNOBTJQ-WAOWUJCRSA-N 2 1 486.646 0.539 20 0 JCADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)n2)CC1 ZINC001164752266 720959835 /nfs/dbraw/zinc/95/98/35/720959835.db2.gz VFWZGOGRJGNXNW-UHFFFAOYSA-N 2 1 457.535 0.708 20 0 JCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CCC2 ZINC001164811311 720208786 /nfs/dbraw/zinc/20/87/86/720208786.db2.gz FVOKPERYMUFXMN-UHFFFAOYSA-N 2 1 475.619 0.376 20 0 JCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCC2 ZINC001164814478 720235215 /nfs/dbraw/zinc/23/52/15/720235215.db2.gz UPPWOAUPBHRBGM-UHFFFAOYSA-N 2 1 454.579 0.724 20 0 JCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCC2 ZINC001164814478 720235214 /nfs/dbraw/zinc/23/52/14/720235214.db2.gz UPPWOAUPBHRBGM-UHFFFAOYSA-N 2 1 454.579 0.724 20 0 JCADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001164827067 720334523 /nfs/dbraw/zinc/33/45/23/720334523.db2.gz GOLSPPWZQTZFSM-LEWJYISDSA-N 2 1 455.607 0.828 20 0 JCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001164827070 720334749 /nfs/dbraw/zinc/33/47/49/720334749.db2.gz GOLSPPWZQTZFSM-NHCUHLMSSA-N 2 1 455.607 0.828 20 0 JCADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001164827073 720334608 /nfs/dbraw/zinc/33/46/08/720334608.db2.gz GOLSPPWZQTZFSM-RTWAWAEBSA-N 2 1 455.607 0.828 20 0 JCADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001164827076 720334997 /nfs/dbraw/zinc/33/49/97/720334997.db2.gz GOLSPPWZQTZFSM-SFTDATJTSA-N 2 1 455.607 0.828 20 0 JCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164890882 721381946 /nfs/dbraw/zinc/38/19/46/721381946.db2.gz OUTGSAXUUXPWOC-FDDCHVKYSA-N 2 1 478.663 0.334 20 0 JCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164890883 721381496 /nfs/dbraw/zinc/38/14/96/721381496.db2.gz OUTGSAXUUXPWOC-JPYJTQIMSA-N 2 1 478.663 0.334 20 0 JCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164890884 721381653 /nfs/dbraw/zinc/38/16/53/721381653.db2.gz OUTGSAXUUXPWOC-MBSDFSHPSA-N 2 1 478.663 0.334 20 0 JCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164890886 721382013 /nfs/dbraw/zinc/38/20/13/721382013.db2.gz OUTGSAXUUXPWOC-WZONZLPQSA-N 2 1 478.663 0.334 20 0 JCADMP C[NH+]1CCN(c2nccc(N(C[C@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164949000 721991370 /nfs/dbraw/zinc/99/13/70/721991370.db2.gz FTKGFWUOZLFEIO-DYESRHJHSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2nccc(N(C[C@@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164949002 721991394 /nfs/dbraw/zinc/99/13/94/721991394.db2.gz FTKGFWUOZLFEIO-LAUBAEHRSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2nccc(N(C[C@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164949004 721991227 /nfs/dbraw/zinc/99/12/27/721991227.db2.gz FTKGFWUOZLFEIO-UTKZUKDTSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2nccc(N(C[C@@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164949006 721991587 /nfs/dbraw/zinc/99/15/87/721991587.db2.gz FTKGFWUOZLFEIO-UWJYYQICSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2ccc(N(C[C@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)nn2)CC1 ZINC001164954944 721990877 /nfs/dbraw/zinc/99/08/77/721990877.db2.gz YAKQEEICVSPYMJ-DYESRHJHSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2ccc(N(C[C@@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)nn2)CC1 ZINC001164954945 721990928 /nfs/dbraw/zinc/99/09/28/721990928.db2.gz YAKQEEICVSPYMJ-LAUBAEHRSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2ccc(N(C[C@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)nn2)CC1 ZINC001164954946 721991508 /nfs/dbraw/zinc/99/15/08/721991508.db2.gz YAKQEEICVSPYMJ-UTKZUKDTSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+]1CCN(c2ccc(N(C[C@@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)nn2)CC1 ZINC001164954947 721991210 /nfs/dbraw/zinc/99/12/10/721991210.db2.gz YAKQEEICVSPYMJ-UWJYYQICSA-N 2 1 450.609 0.828 20 0 JCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001167468491 1067770014 /nfs/dbraw/zinc/77/00/14/1067770014.db2.gz RPXFFMPMVDSDSV-UHFFFAOYSA-N 2 1 453.609 0.689 20 0 JCADMP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC001167524356 1067806218 /nfs/dbraw/zinc/80/62/18/1067806218.db2.gz FEKFZWYYMMYZHU-UHFFFAOYSA-N 2 1 470.599 0.964 20 0 JCADMP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1O ZINC001167971503 1069356723 /nfs/dbraw/zinc/35/67/23/1069356723.db2.gz WLFXGXLGDAZSAX-AGVXCMRGSA-N 2 1 457.579 0.507 20 0 JCADMP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1O ZINC001167971503 1069356704 /nfs/dbraw/zinc/35/67/04/1069356704.db2.gz WLFXGXLGDAZSAX-AGVXCMRGSA-N 2 1 457.579 0.507 20 0 JCADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981546 1069365655 /nfs/dbraw/zinc/36/56/55/1069365655.db2.gz AEJYHQCIGQYDHZ-HVXWDBPDSA-N 2 1 483.661 0.826 20 0 JCADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981546 1069365639 /nfs/dbraw/zinc/36/56/39/1069365639.db2.gz AEJYHQCIGQYDHZ-HVXWDBPDSA-N 2 1 483.661 0.826 20 0 JCADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981546 1069365622 /nfs/dbraw/zinc/36/56/22/1069365622.db2.gz AEJYHQCIGQYDHZ-HVXWDBPDSA-N 3 1 483.661 0.826 20 0 JCADMP C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012993 1069545748 /nfs/dbraw/zinc/54/57/48/1069545748.db2.gz GRMZKNWLDOFRNQ-QFRBSLNYSA-N 2 1 483.573 0.367 20 0 JCADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1 ZINC001168318622 1070061292 /nfs/dbraw/zinc/06/12/92/1070061292.db2.gz DTDMLRNIVBSCLI-PELUFGRGSA-N 2 1 456.653 0.834 20 0 JCADMP [NH3+]CCOCCOCCOCCOCCOCCOCCNC1CC[NH+](CC2CC2)CC1 ZINC001168366322 1070206421 /nfs/dbraw/zinc/20/64/21/1070206421.db2.gz OPBYZBGMWNGGFR-UHFFFAOYSA-N 2 1 461.644 0.509 20 0 JCADMP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168366322 1070206414 /nfs/dbraw/zinc/20/64/14/1070206414.db2.gz OPBYZBGMWNGGFR-UHFFFAOYSA-N 2 1 461.644 0.509 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001168370674 1070276434 /nfs/dbraw/zinc/27/64/34/1070276434.db2.gz DSVFFPSQCCWSLY-FKBYEOEOSA-N 3 1 478.682 0.565 20 0 JCADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CC[NH+](CC2CC2)CC1 ZINC001168371413 1070292813 /nfs/dbraw/zinc/29/28/13/1070292813.db2.gz KXTJWYVBBUSIEX-SFTDATJTSA-N 2 1 457.623 0.295 20 0 JCADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C3CC[NH+](CC4CC4)CC3)CC[C@@H]12 ZINC001168378898 1070442147 /nfs/dbraw/zinc/44/21/47/1070442147.db2.gz YMTWHJUUCUGHER-GGAORHGYSA-N 2 1 468.664 0.836 20 0 JCADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C3CC[NH+](CC4CC4)CC3)CC[C@@H]12 ZINC001168378898 1070442138 /nfs/dbraw/zinc/44/21/38/1070442138.db2.gz YMTWHJUUCUGHER-GGAORHGYSA-N 2 1 468.664 0.836 20 0 JCADMP [NH3+]Cc1ncn(-c2nc3cc(C[NH+]4CCC(N5CCOC5=O)CC4)sc3c(N3CCOCC3)n2)n1 ZINC001168750978 1069559418 /nfs/dbraw/zinc/55/94/18/1069559418.db2.gz WDERYTQKFGSXCN-UHFFFAOYSA-N 2 1 499.601 0.984 20 0 JCADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001169100713 1069944698 /nfs/dbraw/zinc/94/46/98/1069944698.db2.gz LPWCUTQPEGWYCE-BKFWDETESA-N 2 1 491.670 0.276 20 0 JCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001169100713 1069944691 /nfs/dbraw/zinc/94/46/91/1069944691.db2.gz LPWCUTQPEGWYCE-BKFWDETESA-N 2 1 491.670 0.276 20 0 JCADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001169100714 1069945040 /nfs/dbraw/zinc/94/50/40/1069945040.db2.gz LPWCUTQPEGWYCE-JOZNFPNDSA-N 2 1 491.670 0.276 20 0 JCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001169100714 1069945030 /nfs/dbraw/zinc/94/50/30/1069945030.db2.gz LPWCUTQPEGWYCE-JOZNFPNDSA-N 2 1 491.670 0.276 20 0 JCADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169108860 1069946988 /nfs/dbraw/zinc/94/69/88/1069946988.db2.gz DGRXHGUAUKVSTN-ANIZBGBVSA-N 2 1 484.553 0.956 20 0 JCADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169108860 1069946984 /nfs/dbraw/zinc/94/69/84/1069946984.db2.gz DGRXHGUAUKVSTN-ANIZBGBVSA-N 2 1 484.553 0.956 20 0 JCADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169108861 1069947152 /nfs/dbraw/zinc/94/71/52/1069947152.db2.gz DGRXHGUAUKVSTN-FQKNAOEZSA-N 2 1 484.553 0.956 20 0 JCADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169108861 1069947142 /nfs/dbraw/zinc/94/71/42/1069947142.db2.gz DGRXHGUAUKVSTN-FQKNAOEZSA-N 2 1 484.553 0.956 20 0 JCADMP COCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118258 1069946016 /nfs/dbraw/zinc/94/60/16/1069946016.db2.gz GBKRRFBGLUJHHR-WBDAEOGXSA-N 2 1 462.628 0.947 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169123766 1069945866 /nfs/dbraw/zinc/94/58/66/1069945866.db2.gz MVCZLDBSSKCYMJ-DGGDGUMWSA-N 3 1 464.655 0.316 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169123766 1069945857 /nfs/dbraw/zinc/94/58/57/1069945857.db2.gz MVCZLDBSSKCYMJ-DGGDGUMWSA-N 3 1 464.655 0.316 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169123766 1069945850 /nfs/dbraw/zinc/94/58/50/1069945850.db2.gz MVCZLDBSSKCYMJ-DGGDGUMWSA-N 2 1 464.655 0.316 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169123775 1069946162 /nfs/dbraw/zinc/94/61/62/1069946162.db2.gz MVCZLDBSSKCYMJ-STHVQZNPSA-N 3 1 464.655 0.316 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169123775 1069946147 /nfs/dbraw/zinc/94/61/47/1069946147.db2.gz MVCZLDBSSKCYMJ-STHVQZNPSA-N 3 1 464.655 0.316 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169123775 1069946136 /nfs/dbraw/zinc/94/61/36/1069946136.db2.gz MVCZLDBSSKCYMJ-STHVQZNPSA-N 2 1 464.655 0.316 20 0 JCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001169127945 1069945777 /nfs/dbraw/zinc/94/57/77/1069945777.db2.gz APMWMAXDRFKNET-BEZXDORVSA-N 2 1 454.637 0.587 20 0 JCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001169127945 1069945766 /nfs/dbraw/zinc/94/57/66/1069945766.db2.gz APMWMAXDRFKNET-BEZXDORVSA-N 2 1 454.637 0.587 20 0 JCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001169127945 1069945758 /nfs/dbraw/zinc/94/57/58/1069945758.db2.gz APMWMAXDRFKNET-BEZXDORVSA-N 2 1 454.637 0.587 20 0 JCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001169127948 1069946250 /nfs/dbraw/zinc/94/62/50/1069946250.db2.gz APMWMAXDRFKNET-QWPXSNKBSA-N 2 1 454.637 0.587 20 0 JCADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001169127948 1069946244 /nfs/dbraw/zinc/94/62/44/1069946244.db2.gz APMWMAXDRFKNET-QWPXSNKBSA-N 2 1 454.637 0.587 20 0 JCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001169127948 1069946236 /nfs/dbraw/zinc/94/62/36/1069946236.db2.gz APMWMAXDRFKNET-QWPXSNKBSA-N 2 1 454.637 0.587 20 0 JCADMP N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1c[nH+]ccc1N1CCOCC1)S(N)(=O)=O ZINC001169181775 1069967191 /nfs/dbraw/zinc/96/71/91/1069967191.db2.gz FUCPGOJGHOTKRL-UHFFFAOYSA-N 2 1 499.648 0.991 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001169196425 1069951204 /nfs/dbraw/zinc/95/12/04/1069951204.db2.gz OFHUBLPIOPORRT-BBWFWOEESA-N 2 1 477.610 0.919 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001169196426 1069951234 /nfs/dbraw/zinc/95/12/34/1069951234.db2.gz OFHUBLPIOPORRT-ZACQAIPSSA-N 2 1 477.610 0.919 20 0 JCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169200637 1069952158 /nfs/dbraw/zinc/95/21/58/1069952158.db2.gz AMZAUYGEDOKKKX-KRWDZBQOSA-N 2 1 450.584 0.809 20 0 JCADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169200638 1069952213 /nfs/dbraw/zinc/95/22/13/1069952213.db2.gz AMZAUYGEDOKKKX-QGZVFWFLSA-N 2 1 450.584 0.809 20 0 JCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169200755 1069953294 /nfs/dbraw/zinc/95/32/94/1069953294.db2.gz BHTXZGNKNWVXAU-GOSISDBHSA-N 2 1 473.622 0.669 20 0 JCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169200755 1069953286 /nfs/dbraw/zinc/95/32/86/1069953286.db2.gz BHTXZGNKNWVXAU-GOSISDBHSA-N 2 1 473.622 0.669 20 0 JCADMP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169200756 1069953373 /nfs/dbraw/zinc/95/33/73/1069953373.db2.gz BHTXZGNKNWVXAU-SFHVURJKSA-N 2 1 473.622 0.669 20 0 JCADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169200756 1069953362 /nfs/dbraw/zinc/95/33/62/1069953362.db2.gz BHTXZGNKNWVXAU-SFHVURJKSA-N 2 1 473.622 0.669 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001169201435 1069955084 /nfs/dbraw/zinc/95/50/84/1069955084.db2.gz GVJNVUMMNPKCCF-YRPNKDGESA-N 2 1 483.621 0.679 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001169201435 1069955080 /nfs/dbraw/zinc/95/50/80/1069955080.db2.gz GVJNVUMMNPKCCF-YRPNKDGESA-N 2 1 483.621 0.679 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001169201435 1069955074 /nfs/dbraw/zinc/95/50/74/1069955074.db2.gz GVJNVUMMNPKCCF-YRPNKDGESA-N 2 1 483.621 0.679 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001169201442 1069955551 /nfs/dbraw/zinc/95/55/51/1069955551.db2.gz GVJNVUMMNPKCCF-ZRNYENFQSA-N 2 1 483.621 0.679 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001169201442 1069955536 /nfs/dbraw/zinc/95/55/36/1069955536.db2.gz GVJNVUMMNPKCCF-ZRNYENFQSA-N 2 1 483.621 0.679 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001169201442 1069955516 /nfs/dbraw/zinc/95/55/16/1069955516.db2.gz GVJNVUMMNPKCCF-ZRNYENFQSA-N 2 1 483.621 0.679 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001169201983 1069957225 /nfs/dbraw/zinc/95/72/25/1069957225.db2.gz NJTJPLHNOKDWPX-GOSISDBHSA-N 2 1 473.622 0.479 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001169201985 1069957700 /nfs/dbraw/zinc/95/77/00/1069957700.db2.gz NJTJPLHNOKDWPX-SFHVURJKSA-N 2 1 473.622 0.479 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001169203339 1069960856 /nfs/dbraw/zinc/96/08/56/1069960856.db2.gz NOUDATHKYAUDQR-KRWDZBQOSA-N 2 1 484.605 0.517 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001169203340 1069961556 /nfs/dbraw/zinc/96/15/56/1069961556.db2.gz NOUDATHKYAUDQR-QGZVFWFLSA-N 2 1 484.605 0.517 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001169204630 1069979129 /nfs/dbraw/zinc/97/91/29/1069979129.db2.gz RTURNSWXEUASDL-IBGZPJMESA-N 2 1 497.644 0.817 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001169204631 1069978894 /nfs/dbraw/zinc/97/88/94/1069978894.db2.gz RTURNSWXEUASDL-LJQANCHMSA-N 2 1 497.644 0.817 20 0 JCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC[C@@H]2C1 ZINC001169206578 1069970235 /nfs/dbraw/zinc/97/02/35/1069970235.db2.gz VLYAEWVRBLZXNL-VAMGGRTRSA-N 2 1 476.622 0.662 20 0 JCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC[C@@H]2C1 ZINC001169206578 1069970221 /nfs/dbraw/zinc/97/02/21/1069970221.db2.gz VLYAEWVRBLZXNL-VAMGGRTRSA-N 2 1 476.622 0.662 20 0 JCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC[C@@H]2C1 ZINC001169206578 1069970205 /nfs/dbraw/zinc/97/02/05/1069970205.db2.gz VLYAEWVRBLZXNL-VAMGGRTRSA-N 2 1 476.622 0.662 20 0 JCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC[C@@H]2C1 ZINC001169206579 1069970715 /nfs/dbraw/zinc/97/07/15/1069970715.db2.gz VLYAEWVRBLZXNL-XUVXKRRUSA-N 2 1 476.622 0.662 20 0 JCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC[C@@H]2C1 ZINC001169206579 1069970700 /nfs/dbraw/zinc/97/07/00/1069970700.db2.gz VLYAEWVRBLZXNL-XUVXKRRUSA-N 2 1 476.622 0.662 20 0 JCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC[C@@H]2C1 ZINC001169206579 1069970691 /nfs/dbraw/zinc/97/06/91/1069970691.db2.gz VLYAEWVRBLZXNL-XUVXKRRUSA-N 2 1 476.622 0.662 20 0 JCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001169215585 1069975910 /nfs/dbraw/zinc/97/59/10/1069975910.db2.gz AJHKMYIOGHKSNX-IBGZPJMESA-N 2 1 459.639 0.952 20 0 JCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001169215586 1069976075 /nfs/dbraw/zinc/97/60/75/1069976075.db2.gz AJHKMYIOGHKSNX-LJQANCHMSA-N 2 1 459.639 0.952 20 0 JCADMP CCN1CCC([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001169229610 1069977723 /nfs/dbraw/zinc/97/77/23/1069977723.db2.gz DVZUCOXIGIAWFR-UHFFFAOYSA-N 2 1 479.659 0.135 20 0 JCADMP CCN1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001169244396 1069979904 /nfs/dbraw/zinc/97/99/04/1069979904.db2.gz MCRIMXXVILXIBH-UFYCRDLUSA-N 2 1 452.644 0.175 20 0 JCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022078 1070030234 /nfs/dbraw/zinc/03/02/34/1070030234.db2.gz MVNIWOISWWPSAU-ILXRZTDVSA-N 2 1 472.612 0.292 20 0 JCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022079 1070030520 /nfs/dbraw/zinc/03/05/20/1070030520.db2.gz MVNIWOISWWPSAU-KKUMJFAQSA-N 2 1 472.612 0.292 20 0 JCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170023544 1070031835 /nfs/dbraw/zinc/03/18/35/1070031835.db2.gz YXRVJXPMNYFRDI-IRXDYDNUSA-N 2 1 455.625 0.651 20 0 JCADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170023545 1070031729 /nfs/dbraw/zinc/03/17/29/1070031729.db2.gz YXRVJXPMNYFRDI-SJORKVTESA-N 2 1 455.625 0.651 20 0 JCADMP C[NH+](C)CCN1CC[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170053809 1070041914 /nfs/dbraw/zinc/04/19/14/1070041914.db2.gz WYWNKJBNVSDOPR-MSOLQXFVSA-N 2 1 469.652 0.993 20 0 JCADMP C[NH+](C)CCN1CC[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170053809 1070041901 /nfs/dbraw/zinc/04/19/01/1070041901.db2.gz WYWNKJBNVSDOPR-MSOLQXFVSA-N 2 1 469.652 0.993 20 0 JCADMP C[NH+](C)CCN1CC[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170053810 1070041972 /nfs/dbraw/zinc/04/19/72/1070041972.db2.gz WYWNKJBNVSDOPR-ROUUACIJSA-N 2 1 469.652 0.993 20 0 JCADMP C[NH+](C)CCN1CC[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170053810 1070041956 /nfs/dbraw/zinc/04/19/56/1070041956.db2.gz WYWNKJBNVSDOPR-ROUUACIJSA-N 2 1 469.652 0.993 20 0 JCADMP Cc1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170385822 1070083805 /nfs/dbraw/zinc/08/38/05/1070083805.db2.gz AQVINNBVZANPOX-BDCMKUQMSA-N 3 1 466.627 0.895 20 0 JCADMP Cc1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170385823 1070083636 /nfs/dbraw/zinc/08/36/36/1070083636.db2.gz AQVINNBVZANPOX-FHHGAAIESA-N 3 1 466.627 0.895 20 0 JCADMP Cc1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170385824 1070083739 /nfs/dbraw/zinc/08/37/39/1070083739.db2.gz AQVINNBVZANPOX-LDAQOBCYSA-N 3 1 466.627 0.895 20 0 JCADMP Cc1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001170385825 1070083775 /nfs/dbraw/zinc/08/37/75/1070083775.db2.gz AQVINNBVZANPOX-SPAGYVKCSA-N 3 1 466.627 0.895 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(N3CC[NH+](C)CC3)ncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170387349 1070083690 /nfs/dbraw/zinc/08/36/90/1070083690.db2.gz GBYOHGOLGFPQGR-BDCMKUQMSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(N3CC[NH+](C)CC3)ncn2)[C@H](O)OC(C)(C)C)C1 ZINC001170387350 1070083512 /nfs/dbraw/zinc/08/35/12/1070083512.db2.gz GBYOHGOLGFPQGR-FHHGAAIESA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(N3CC[NH+](C)CC3)ncn2)[C@H](O)OC(C)(C)C)C1 ZINC001170387351 1070083361 /nfs/dbraw/zinc/08/33/61/1070083361.db2.gz GBYOHGOLGFPQGR-LDAQOBCYSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(N3CC[NH+](C)CC3)ncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170387352 1070083594 /nfs/dbraw/zinc/08/35/94/1070083594.db2.gz GBYOHGOLGFPQGR-SPAGYVKCSA-N 3 1 465.643 0.502 20 0 JCADMP Cc1cnc(S(C)(=O)=O)nc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389942 1070085777 /nfs/dbraw/zinc/08/57/77/1070085777.db2.gz SHQDMBDOSQOVMR-IMYGGXQCSA-N 2 1 459.613 0.462 20 0 JCADMP Cc1cnc(S(C)(=O)=O)nc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389943 1070085666 /nfs/dbraw/zinc/08/56/66/1070085666.db2.gz SHQDMBDOSQOVMR-NDVSXACPSA-N 2 1 459.613 0.462 20 0 JCADMP Cc1cnc(S(C)(=O)=O)nc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389944 1070085701 /nfs/dbraw/zinc/08/57/01/1070085701.db2.gz SHQDMBDOSQOVMR-SARNLOFESA-N 2 1 459.613 0.462 20 0 JCADMP Cc1cnc(S(C)(=O)=O)nc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389945 1070085502 /nfs/dbraw/zinc/08/55/02/1070085502.db2.gz SHQDMBDOSQOVMR-XQWZKXDRSA-N 2 1 459.613 0.462 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170393386 1070088238 /nfs/dbraw/zinc/08/82/38/1070088238.db2.gz SBIIAHZBLAVISS-OYJIISJGSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170393387 1070088724 /nfs/dbraw/zinc/08/87/24/1070088724.db2.gz SBIIAHZBLAVISS-XZEAGOEVSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N3CC[NH+](C)CC3)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170393388 1070088551 /nfs/dbraw/zinc/08/85/51/1070088551.db2.gz SBIIAHZBLAVISS-XZMCUBLMSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N3CC[NH+](C)CC3)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170393389 1070088914 /nfs/dbraw/zinc/08/89/14/1070088914.db2.gz SBIIAHZBLAVISS-ZKLZULKDSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2N2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001170397036 1070090503 /nfs/dbraw/zinc/09/05/03/1070090503.db2.gz SRYYOYFZAMWQNB-BDCMKUQMSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2N2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001170397037 1070090677 /nfs/dbraw/zinc/09/06/77/1070090677.db2.gz SRYYOYFZAMWQNB-FHHGAAIESA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2N2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001170397038 1070090429 /nfs/dbraw/zinc/09/04/29/1070090429.db2.gz SRYYOYFZAMWQNB-LDAQOBCYSA-N 3 1 465.643 0.502 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2N2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001170397039 1070090616 /nfs/dbraw/zinc/09/06/16/1070090616.db2.gz SRYYOYFZAMWQNB-SPAGYVKCSA-N 3 1 465.643 0.502 20 0 JCADMP Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398490 1070091768 /nfs/dbraw/zinc/09/17/68/1070091768.db2.gz KGTPOKFPAQQOCE-IMYGGXQCSA-N 2 1 459.613 0.462 20 0 JCADMP Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398491 1070091894 /nfs/dbraw/zinc/09/18/94/1070091894.db2.gz KGTPOKFPAQQOCE-NDVSXACPSA-N 2 1 459.613 0.462 20 0 JCADMP Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398493 1070091625 /nfs/dbraw/zinc/09/16/25/1070091625.db2.gz KGTPOKFPAQQOCE-SARNLOFESA-N 2 1 459.613 0.462 20 0 JCADMP Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398494 1070091857 /nfs/dbraw/zinc/09/18/57/1070091857.db2.gz KGTPOKFPAQQOCE-XQWZKXDRSA-N 2 1 459.613 0.462 20 0 JCADMP COC(=O)C1(n2c(C(=O)N(C)C)cc3c[nH+]c(NCCOCCOCC[NH3+])nc32)CCCC1 ZINC001170507351 1070153343 /nfs/dbraw/zinc/15/33/43/1070153343.db2.gz HAAHIXMUQSZQNR-UHFFFAOYSA-N 2 1 462.551 0.979 20 0 JCADMP Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001171260574 1070466783 /nfs/dbraw/zinc/46/67/83/1070466783.db2.gz CUXLIRSEISRJQA-OTUUDDROSA-N 2 1 478.553 0.661 20 0 JCADMP Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001171260574 1070466771 /nfs/dbraw/zinc/46/67/71/1070466771.db2.gz CUXLIRSEISRJQA-OTUUDDROSA-N 2 1 478.553 0.661 20 0 JCADMP C[NH+](C)Cc1ccc(Br)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171266061 1070473983 /nfs/dbraw/zinc/47/39/83/1070473983.db2.gz ALKQIUFUCYMURO-MWQQHZPXSA-N 2 1 454.325 0.223 20 0 JCADMP CC1(C)C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@H+]1Cc1ccccc1 ZINC001171972634 1068240636 /nfs/dbraw/zinc/24/06/36/1068240636.db2.gz RVPABFOHSFIAGI-GADAEZOWSA-N 2 1 483.573 0.369 20 0 JCADMP CC1(C)C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@H+]1Cc1ccccc1 ZINC001171972640 1068240568 /nfs/dbraw/zinc/24/05/68/1068240568.db2.gz RVPABFOHSFIAGI-IAYKURSESA-N 2 1 483.573 0.369 20 0 JCADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066025 1068241202 /nfs/dbraw/zinc/24/12/02/1068241202.db2.gz SWGHEIPHLKQKOQ-RWCVYZTASA-N 2 1 495.584 0.511 20 0 JCADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066026 1068241077 /nfs/dbraw/zinc/24/10/77/1068241077.db2.gz SWGHEIPHLKQKOQ-UKUPUJTRSA-N 2 1 495.584 0.511 20 0 JCADMP [NH3+][C@H]1[C@H](n2ccc(N[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001172077633 1068241345 /nfs/dbraw/zinc/24/13/45/1068241345.db2.gz UPTSLFSWUVXTHF-ANIZBGBVSA-N 2 1 455.559 0.653 20 0 JCADMP [NH3+][C@H]1[C@H](n2ccc(N[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001172077633 1068241337 /nfs/dbraw/zinc/24/13/37/1068241337.db2.gz UPTSLFSWUVXTHF-ANIZBGBVSA-N 2 1 455.559 0.653 20 0 JCADMP [NH3+][C@H]1[C@H](n2ccc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001172077634 1068241433 /nfs/dbraw/zinc/24/14/33/1068241433.db2.gz UPTSLFSWUVXTHF-FQKNAOEZSA-N 2 1 455.559 0.653 20 0 JCADMP [NH3+][C@H]1[C@H](n2ccc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001172077634 1068241429 /nfs/dbraw/zinc/24/14/29/1068241429.db2.gz UPTSLFSWUVXTHF-FQKNAOEZSA-N 2 1 455.559 0.653 20 0 JCADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001172107680 1068242010 /nfs/dbraw/zinc/24/20/10/1068242010.db2.gz JQYVDOAQZZAIIB-ADHGMGHFSA-N 2 1 491.593 0.225 20 0 JCADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001172107682 1068241989 /nfs/dbraw/zinc/24/19/89/1068241989.db2.gz JQYVDOAQZZAIIB-FLXSYLCISA-N 2 1 491.593 0.225 20 0 JCADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001172107684 1068242046 /nfs/dbraw/zinc/24/20/46/1068242046.db2.gz JQYVDOAQZZAIIB-OBVSXPTNSA-N 2 1 491.593 0.225 20 0 JCADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001172107687 1068241940 /nfs/dbraw/zinc/24/19/40/1068241940.db2.gz JQYVDOAQZZAIIB-PNKHAZJDSA-N 2 1 491.593 0.225 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172108526 1068241847 /nfs/dbraw/zinc/24/18/47/1068241847.db2.gz AXXYIGJSUKXNKT-GVUKCBQMSA-N 2 1 478.682 0.706 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001172108526 1068241843 /nfs/dbraw/zinc/24/18/43/1068241843.db2.gz AXXYIGJSUKXNKT-GVUKCBQMSA-N 2 1 478.682 0.706 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172108526 1068241833 /nfs/dbraw/zinc/24/18/33/1068241833.db2.gz AXXYIGJSUKXNKT-GVUKCBQMSA-N 3 1 478.682 0.706 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172108530 1068242641 /nfs/dbraw/zinc/24/26/41/1068242641.db2.gz AXXYIGJSUKXNKT-WVYKEMLSSA-N 2 1 478.682 0.706 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001172108530 1068242629 /nfs/dbraw/zinc/24/26/29/1068242629.db2.gz AXXYIGJSUKXNKT-WVYKEMLSSA-N 2 1 478.682 0.706 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172108530 1068242618 /nfs/dbraw/zinc/24/26/18/1068242618.db2.gz AXXYIGJSUKXNKT-WVYKEMLSSA-N 3 1 478.682 0.706 20 0 JCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172110498 1068242396 /nfs/dbraw/zinc/24/23/96/1068242396.db2.gz NRPZUONDMPVHPB-OYSTVDSJSA-N 2 1 455.669 0.845 20 0 JCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001172110498 1068242369 /nfs/dbraw/zinc/24/23/69/1068242369.db2.gz NRPZUONDMPVHPB-OYSTVDSJSA-N 2 1 455.669 0.845 20 0 JCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001172110499 1068242458 /nfs/dbraw/zinc/24/24/58/1068242458.db2.gz NRPZUONDMPVHPB-PJVZLEMVSA-N 2 1 455.669 0.845 20 0 JCADMP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001172110499 1068242444 /nfs/dbraw/zinc/24/24/44/1068242444.db2.gz NRPZUONDMPVHPB-PJVZLEMVSA-N 2 1 455.669 0.845 20 0 JCADMP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001172111569 1068242690 /nfs/dbraw/zinc/24/26/90/1068242690.db2.gz SMXKQMPKRBRFDX-HZMVEIRTSA-N 2 1 461.567 0.864 20 0 JCADMP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001172111638 1068242737 /nfs/dbraw/zinc/24/27/37/1068242737.db2.gz SMXKQMPKRBRFDX-YVSFHVDLSA-N 2 1 461.567 0.864 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c1)C2 ZINC001172114047 1068242882 /nfs/dbraw/zinc/24/28/82/1068242882.db2.gz OGTDERRGNNVVQS-AINOVGTFSA-N 2 1 454.575 0.859 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c1)C2 ZINC001172114050 1068242994 /nfs/dbraw/zinc/24/29/94/1068242994.db2.gz OGTDERRGNNVVQS-YMYKFTITSA-N 2 1 454.575 0.859 20 0 JCADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001172114563 1068242909 /nfs/dbraw/zinc/24/29/09/1068242909.db2.gz OBBSWOBRPJYJIT-NUNAXRQHSA-N 2 1 461.644 0.650 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001172114563 1068242903 /nfs/dbraw/zinc/24/29/03/1068242903.db2.gz OBBSWOBRPJYJIT-NUNAXRQHSA-N 3 1 461.644 0.650 20 0 JCADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001172114564 1068242868 /nfs/dbraw/zinc/24/28/68/1068242868.db2.gz OBBSWOBRPJYJIT-WBDAEOGXSA-N 2 1 461.644 0.650 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C2 ZINC001172114564 1068242864 /nfs/dbraw/zinc/24/28/64/1068242864.db2.gz OBBSWOBRPJYJIT-WBDAEOGXSA-N 3 1 461.644 0.650 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115337 1068242981 /nfs/dbraw/zinc/24/29/81/1068242981.db2.gz WGGQGDLUQPPFRN-SSTJLMRISA-N 2 1 457.623 0.436 20 0 JCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115337 1068242974 /nfs/dbraw/zinc/24/29/74/1068242974.db2.gz WGGQGDLUQPPFRN-SSTJLMRISA-N 2 1 457.623 0.436 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115337 1068242967 /nfs/dbraw/zinc/24/29/67/1068242967.db2.gz WGGQGDLUQPPFRN-SSTJLMRISA-N 3 1 457.623 0.436 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115342 1068242824 /nfs/dbraw/zinc/24/28/24/1068242824.db2.gz WGGQGDLUQPPFRN-WHZJULEDSA-N 2 1 457.623 0.436 20 0 JCADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115342 1068242816 /nfs/dbraw/zinc/24/28/16/1068242816.db2.gz WGGQGDLUQPPFRN-WHZJULEDSA-N 2 1 457.623 0.436 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 ZINC001172115342 1068242810 /nfs/dbraw/zinc/24/28/10/1068242810.db2.gz WGGQGDLUQPPFRN-WHZJULEDSA-N 3 1 457.623 0.436 20 0 JCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001172118770 1068242942 /nfs/dbraw/zinc/24/29/42/1068242942.db2.gz QIYOQDXWRJSPED-MKQKURRLSA-N 2 1 468.664 0.977 20 0 JCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001172118770 1068242937 /nfs/dbraw/zinc/24/29/37/1068242937.db2.gz QIYOQDXWRJSPED-MKQKURRLSA-N 2 1 468.664 0.977 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001172118770 1068242932 /nfs/dbraw/zinc/24/29/32/1068242932.db2.gz QIYOQDXWRJSPED-MKQKURRLSA-N 2 1 468.664 0.977 20 0 JCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001172118771 1068242540 /nfs/dbraw/zinc/24/25/40/1068242540.db2.gz QIYOQDXWRJSPED-RRPPUSTOSA-N 2 1 468.664 0.977 20 0 JCADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001172118771 1068242530 /nfs/dbraw/zinc/24/25/30/1068242530.db2.gz QIYOQDXWRJSPED-RRPPUSTOSA-N 2 1 468.664 0.977 20 0 JCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC1)C2 ZINC001172118771 1068242512 /nfs/dbraw/zinc/24/25/12/1068242512.db2.gz QIYOQDXWRJSPED-RRPPUSTOSA-N 2 1 468.664 0.977 20 0 JCADMP COCCC[NH+]1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001172248698 1068246084 /nfs/dbraw/zinc/24/60/84/1068246084.db2.gz DXIPFEJQYVDYSG-FKBYEOEOSA-N 3 1 496.697 0.192 20 0 JCADMP COCCCN1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001172248698 1068246077 /nfs/dbraw/zinc/24/60/77/1068246077.db2.gz DXIPFEJQYVDYSG-FKBYEOEOSA-N 2 1 496.697 0.192 20 0 JCADMP COCCCN1CCC([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001172249366 1068245613 /nfs/dbraw/zinc/24/56/13/1068245613.db2.gz CXQWBRCDGKGOJZ-UHFFFAOYSA-N 2 1 479.659 0.135 20 0 JCADMP COCCC[NH+]1CCC([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1 ZINC001172251914 1068245710 /nfs/dbraw/zinc/24/57/10/1068245710.db2.gz YKLZEKPHZGFLIA-GGAORHGYSA-N 2 1 486.679 0.462 20 0 JCADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1 ZINC001172251914 1068245700 /nfs/dbraw/zinc/24/57/00/1068245700.db2.gz YKLZEKPHZGFLIA-GGAORHGYSA-N 2 1 486.679 0.462 20 0 JCADMP COCCC[NH+]1CCC([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CC1 ZINC001172251921 1068245932 /nfs/dbraw/zinc/24/59/32/1068245932.db2.gz YTROGJBDOLLVCT-JOCHJYFZSA-N 2 1 456.653 0.693 20 0 JCADMP COCCC[NH+]1CCC([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CC1 ZINC001172251922 1068246027 /nfs/dbraw/zinc/24/60/27/1068246027.db2.gz YTROGJBDOLLVCT-QFIPXVFZSA-N 2 1 456.653 0.693 20 0 JCADMP COCCC[NH+]1CCC(N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)CC1 ZINC001172255212 1068245735 /nfs/dbraw/zinc/24/57/35/1068245735.db2.gz JXMLTIBUOGQBCC-UHFFFAOYSA-N 2 1 453.609 0.532 20 0 JCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506870 1068274427 /nfs/dbraw/zinc/27/44/27/1068274427.db2.gz FTQNGHCHHLLQEE-BXXSPATCSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506870 1068274422 /nfs/dbraw/zinc/27/44/22/1068274422.db2.gz FTQNGHCHHLLQEE-BXXSPATCSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506870 1068274418 /nfs/dbraw/zinc/27/44/18/1068274418.db2.gz FTQNGHCHHLLQEE-BXXSPATCSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@H]1C[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506872 1068274476 /nfs/dbraw/zinc/27/44/76/1068274476.db2.gz FTQNGHCHHLLQEE-KAOXLYBCSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@H]1C[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506872 1068274470 /nfs/dbraw/zinc/27/44/70/1068274470.db2.gz FTQNGHCHHLLQEE-KAOXLYBCSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@H]1C[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506872 1068274467 /nfs/dbraw/zinc/27/44/67/1068274467.db2.gz FTQNGHCHHLLQEE-KAOXLYBCSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506873 1068274503 /nfs/dbraw/zinc/27/45/03/1068274503.db2.gz FTQNGHCHHLLQEE-SSGKUCQKSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506873 1068274498 /nfs/dbraw/zinc/27/44/98/1068274498.db2.gz FTQNGHCHHLLQEE-SSGKUCQKSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506873 1068274492 /nfs/dbraw/zinc/27/44/92/1068274492.db2.gz FTQNGHCHHLLQEE-SSGKUCQKSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506874 1068274675 /nfs/dbraw/zinc/27/46/75/1068274675.db2.gz FTQNGHCHHLLQEE-WZYRSQIMSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506874 1068274674 /nfs/dbraw/zinc/27/46/74/1068274674.db2.gz FTQNGHCHHLLQEE-WZYRSQIMSA-N 2 1 486.613 0.944 20 0 JCADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CCN1C(=O)c1ccccc1 ZINC001173506874 1068274664 /nfs/dbraw/zinc/27/46/64/1068274664.db2.gz FTQNGHCHHLLQEE-WZYRSQIMSA-N 2 1 486.613 0.944 20 0 JCADMP CCN(C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001174983324 1068308746 /nfs/dbraw/zinc/30/87/46/1068308746.db2.gz HCDYOEKEIUTBHQ-UHFFFAOYSA-N 2 1 458.563 0.321 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)CN3CC[NH+](C)CC3)nc2C(N)=O)nc1C ZINC001178953419 1068518390 /nfs/dbraw/zinc/51/83/90/1068518390.db2.gz JVGDWKNCKUFTHR-RBUKOAKNSA-N 2 1 495.632 0.796 20 0 JCADMP COC(=O)[C@H](CCCC[NH3+])N(C(=O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC001178955813 1068518305 /nfs/dbraw/zinc/51/83/05/1068518305.db2.gz CSPWJXPWFXZDIP-IBGZPJMESA-N 2 1 454.593 0.430 20 0 JCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)CC[C@@H]2C1 ZINC001179010451 1068522585 /nfs/dbraw/zinc/52/25/85/1068522585.db2.gz GJZDEMJCVOHTLH-FYYLOGMGSA-N 2 1 450.624 0.905 20 0 JCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)C2)C1 ZINC001179010635 1068522617 /nfs/dbraw/zinc/52/26/17/1068522617.db2.gz KASVUUKZLAEOLA-RUZDIDTESA-N 2 1 477.650 0.396 20 0 JCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)C2)C1 ZINC001179010635 1068522609 /nfs/dbraw/zinc/52/26/09/1068522609.db2.gz KASVUUKZLAEOLA-RUZDIDTESA-N 2 1 477.650 0.396 20 0 JCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)C2)C1 ZINC001179010636 1068522690 /nfs/dbraw/zinc/52/26/90/1068522690.db2.gz KASVUUKZLAEOLA-VWLOTQADSA-N 2 1 477.650 0.396 20 0 JCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)C2)C1 ZINC001179010636 1068522675 /nfs/dbraw/zinc/52/26/75/1068522675.db2.gz KASVUUKZLAEOLA-VWLOTQADSA-N 2 1 477.650 0.396 20 0 JCADMP C[NH+]1C[C@@H](C(=O)NCCN2CCC[N@@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155277 1068537318 /nfs/dbraw/zinc/53/73/18/1068537318.db2.gz FLEZSPIRQSRGJM-IBGZPJMESA-N 2 1 453.628 0.840 20 0 JCADMP C[NH+]1C[C@@H](C(=O)NCCN2CCC[N@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155277 1068537308 /nfs/dbraw/zinc/53/73/08/1068537308.db2.gz FLEZSPIRQSRGJM-IBGZPJMESA-N 2 1 453.628 0.840 20 0 JCADMP C[N@H+]1C[C@@H](C(=O)NCCN2CCC[NH+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155277 1068537303 /nfs/dbraw/zinc/53/73/03/1068537303.db2.gz FLEZSPIRQSRGJM-IBGZPJMESA-N 2 1 453.628 0.840 20 0 JCADMP C[NH+]1C[C@H](C(=O)NCCN2CCC[N@@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155278 1068537371 /nfs/dbraw/zinc/53/73/71/1068537371.db2.gz FLEZSPIRQSRGJM-LJQANCHMSA-N 2 1 453.628 0.840 20 0 JCADMP C[NH+]1C[C@H](C(=O)NCCN2CCC[N@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155278 1068537366 /nfs/dbraw/zinc/53/73/66/1068537366.db2.gz FLEZSPIRQSRGJM-LJQANCHMSA-N 2 1 453.628 0.840 20 0 JCADMP C[N@H+]1C[C@H](C(=O)NCCN2CCC[NH+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155278 1068537360 /nfs/dbraw/zinc/53/73/60/1068537360.db2.gz FLEZSPIRQSRGJM-LJQANCHMSA-N 2 1 453.628 0.840 20 0 JCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156643 1068539124 /nfs/dbraw/zinc/53/91/24/1068539124.db2.gz SGAQACASTCAQKI-FTEYMNFISA-N 2 1 470.611 0.928 20 0 JCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156644 1068539471 /nfs/dbraw/zinc/53/94/71/1068539471.db2.gz SGAQACASTCAQKI-MLYOOKFZSA-N 2 1 470.611 0.928 20 0 JCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156645 1068539339 /nfs/dbraw/zinc/53/93/39/1068539339.db2.gz SGAQACASTCAQKI-SOAMZJECSA-N 2 1 470.611 0.928 20 0 JCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156646 1068539239 /nfs/dbraw/zinc/53/92/39/1068539239.db2.gz SGAQACASTCAQKI-XSYGEPLQSA-N 2 1 470.611 0.928 20 0 JCADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C2)CC1 ZINC001179379519 1068567081 /nfs/dbraw/zinc/56/70/81/1068567081.db2.gz CVXSEAAXLZPAPC-INIZCTEOSA-N 2 1 457.576 0.762 20 0 JCADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C2)CC1 ZINC001179379520 1068567022 /nfs/dbraw/zinc/56/70/22/1068567022.db2.gz CVXSEAAXLZPAPC-MRXNPFEDSA-N 2 1 457.576 0.762 20 0 JCADMP CC(C)N1CCN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001180351074 1068606332 /nfs/dbraw/zinc/60/63/32/1068606332.db2.gz OEEVIZCVCZIJEN-PAPPXSOASA-N 2 1 457.660 0.308 20 0 JCADMP CC(C)N1CCN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001180351075 1068606510 /nfs/dbraw/zinc/60/65/10/1068606510.db2.gz OEEVIZCVCZIJEN-TZWCSUAMSA-N 2 1 457.660 0.308 20 0 JCADMP CC(C)N1CCN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001180351076 1068606573 /nfs/dbraw/zinc/60/65/73/1068606573.db2.gz OEEVIZCVCZIJEN-WODKUCBQSA-N 2 1 457.660 0.308 20 0 JCADMP CC(C)N1CCN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001180351077 1068607345 /nfs/dbraw/zinc/60/73/45/1068607345.db2.gz OEEVIZCVCZIJEN-YOWRRBNZSA-N 2 1 457.660 0.308 20 0 JCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001180405715 1068615478 /nfs/dbraw/zinc/61/54/78/1068615478.db2.gz PJGHMSKTAPGUPZ-LEWJYISDSA-N 2 1 467.570 0.865 20 0 JCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001180406891 1068616282 /nfs/dbraw/zinc/61/62/82/1068616282.db2.gz FUBYZHAXSSPQAT-XZOQPEGZSA-N 2 1 480.613 0.894 20 0 JCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407226 1068616153 /nfs/dbraw/zinc/61/61/53/1068616153.db2.gz IZMVNIICWUWYKY-VRUMLPLGSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407226 1068616148 /nfs/dbraw/zinc/61/61/48/1068616148.db2.gz IZMVNIICWUWYKY-VRUMLPLGSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407226 1068616143 /nfs/dbraw/zinc/61/61/43/1068616143.db2.gz IZMVNIICWUWYKY-VRUMLPLGSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407226 1068616138 /nfs/dbraw/zinc/61/61/38/1068616138.db2.gz IZMVNIICWUWYKY-VRUMLPLGSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407228 1068616178 /nfs/dbraw/zinc/61/61/78/1068616178.db2.gz IZMVNIICWUWYKY-VVZHRXSXSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407228 1068616174 /nfs/dbraw/zinc/61/61/74/1068616174.db2.gz IZMVNIICWUWYKY-VVZHRXSXSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407228 1068616170 /nfs/dbraw/zinc/61/61/70/1068616170.db2.gz IZMVNIICWUWYKY-VVZHRXSXSA-N 2 1 486.613 0.595 20 0 JCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C(=O)OC)C2)C1 ZINC001180407228 1068616164 /nfs/dbraw/zinc/61/61/64/1068616164.db2.gz IZMVNIICWUWYKY-VVZHRXSXSA-N 2 1 486.613 0.595 20 0 JCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001180407330 1068616060 /nfs/dbraw/zinc/61/60/60/1068616060.db2.gz KCDIMKJJWWOQAZ-ZWKOTPCHSA-N 2 1 476.555 0.530 20 0 JCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001180407765 1068615928 /nfs/dbraw/zinc/61/59/28/1068615928.db2.gz NJCRUZPWYCJYAI-RBUKOAKNSA-N 2 1 483.569 0.772 20 0 JCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001180407794 1068616006 /nfs/dbraw/zinc/61/60/06/1068616006.db2.gz OBIAAEHRCGTGTC-XZOQPEGZSA-N 2 1 499.656 0.604 20 0 JCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001180410135 1068616981 /nfs/dbraw/zinc/61/69/81/1068616981.db2.gz QKZDRGIIAOLKRW-FCHUYYIVSA-N 2 1 486.594 0.854 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[N@@H+](C)C1CCCC1)C(N)=O ZINC001180630476 1068629069 /nfs/dbraw/zinc/62/90/69/1068629069.db2.gz KYUWYRDGXUEUCG-ZJOUEHCJSA-N 2 1 480.654 0.092 20 0 JCADMP CCCCC[N@@H+](C)CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001181869592 1068716304 /nfs/dbraw/zinc/71/63/04/1068716304.db2.gz XCCHSHOSNINVEM-ONTIZHBOSA-N 2 1 496.697 0.729 20 0 JCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001182000962 1068720368 /nfs/dbraw/zinc/72/03/68/1068720368.db2.gz FIQASXJKUWVICL-MUGJNUQGSA-N 2 1 480.654 0.092 20 0 JCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001182000963 1068720341 /nfs/dbraw/zinc/72/03/41/1068720341.db2.gz FIQASXJKUWVICL-YRPNKDGESA-N 2 1 480.654 0.092 20 0 JCADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@H+]1CC1CC1)C(N)=O ZINC001182561495 1068761530 /nfs/dbraw/zinc/76/15/30/1068761530.db2.gz VBBHXCKGVAVWQG-TUFLPTIASA-N 2 1 492.665 0.092 20 0 JCADMP CC[C@H]1C[N@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001183353412 1068837837 /nfs/dbraw/zinc/83/78/37/1068837837.db2.gz RZAANLXGAZEZCI-DRXAUKQYSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001183353412 1068837825 /nfs/dbraw/zinc/83/78/25/1068837825.db2.gz RZAANLXGAZEZCI-DRXAUKQYSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001183353413 1068838599 /nfs/dbraw/zinc/83/85/99/1068838599.db2.gz RZAANLXGAZEZCI-GYDNIMMGSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001183353413 1068838577 /nfs/dbraw/zinc/83/85/77/1068838577.db2.gz RZAANLXGAZEZCI-GYDNIMMGSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001183353414 1068838515 /nfs/dbraw/zinc/83/85/15/1068838515.db2.gz RZAANLXGAZEZCI-MEODRLKMSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001183353414 1068838494 /nfs/dbraw/zinc/83/84/94/1068838494.db2.gz RZAANLXGAZEZCI-MEODRLKMSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001183353415 1068838352 /nfs/dbraw/zinc/83/83/52/1068838352.db2.gz RZAANLXGAZEZCI-NKHYTNMXSA-N 2 1 495.628 0.046 20 0 JCADMP CC[C@H]1C[N@@H+]2CC[C@]3(c4ccccc4NC3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001183353415 1068838336 /nfs/dbraw/zinc/83/83/36/1068838336.db2.gz RZAANLXGAZEZCI-NKHYTNMXSA-N 2 1 495.628 0.046 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)COCCOCC[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001184870997 1068948516 /nfs/dbraw/zinc/94/85/16/1068948516.db2.gz RUMPKXIBKQDOPT-GVAUOCQISA-N 2 1 468.602 0.241 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)COCCOCC[NH+](Cc2ccccc2)Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001184870998 1068948595 /nfs/dbraw/zinc/94/85/95/1068948595.db2.gz RUMPKXIBKQDOPT-ISJGIBHGSA-N 2 1 468.602 0.241 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)COCCOCC[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001184870999 1068948386 /nfs/dbraw/zinc/94/83/86/1068948386.db2.gz RUMPKXIBKQDOPT-SDHSZQHLSA-N 2 1 468.602 0.241 20 0 JCADMP [NH3+][C@@H]1NCN(C(=O)COCCOCC[NH+](Cc2ccccc2)Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001184871000 1068948321 /nfs/dbraw/zinc/94/83/21/1068948321.db2.gz RUMPKXIBKQDOPT-UBFVSLLYSA-N 2 1 468.602 0.241 20 0 JCADMP Cn1nnc2c1CCN(C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001185225771 1068965205 /nfs/dbraw/zinc/96/52/05/1068965205.db2.gz HMQGXJSMEFKFCB-FCHUYYIVSA-N 2 1 456.591 0.846 20 0 JCADMP Cn1nnc2c1CCN(C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001185225771 1068965189 /nfs/dbraw/zinc/96/51/89/1068965189.db2.gz HMQGXJSMEFKFCB-FCHUYYIVSA-N 2 1 456.591 0.846 20 0 JCADMP Cn1nnc2c1CCN(C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001185225772 1068964643 /nfs/dbraw/zinc/96/46/43/1068964643.db2.gz HMQGXJSMEFKFCB-VXKWHMMOSA-N 2 1 456.591 0.846 20 0 JCADMP Cn1nnc2c1CCN(C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001185225772 1068964627 /nfs/dbraw/zinc/96/46/27/1068964627.db2.gz HMQGXJSMEFKFCB-VXKWHMMOSA-N 2 1 456.591 0.846 20 0 JCADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)c2nonc21 ZINC001185241552 1068966843 /nfs/dbraw/zinc/96/68/43/1068966843.db2.gz WRJJOUOTXYOEPG-KRWDZBQOSA-N 2 1 476.559 0.258 20 0 JCADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)c2nonc21 ZINC001185241552 1068966836 /nfs/dbraw/zinc/96/68/36/1068966836.db2.gz WRJJOUOTXYOEPG-KRWDZBQOSA-N 2 1 476.559 0.258 20 0 JCADMP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[N@@H+](C)CCN1C)S(=O)(=O)c1ccc(C)cc1 ZINC001185266791 1068968965 /nfs/dbraw/zinc/96/89/65/1068968965.db2.gz GMVUYFKXWMGLGJ-OALUTQOASA-N 2 1 454.593 0.429 20 0 JCADMP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[N@H+](C)CCN1C)S(=O)(=O)c1ccc(C)cc1 ZINC001185266791 1068968951 /nfs/dbraw/zinc/96/89/51/1068968951.db2.gz GMVUYFKXWMGLGJ-OALUTQOASA-N 2 1 454.593 0.429 20 0 JCADMP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1C[N@@H+](C)CCN1C)S(=O)(=O)c1ccc(C)cc1 ZINC001185266792 1068968832 /nfs/dbraw/zinc/96/88/32/1068968832.db2.gz GMVUYFKXWMGLGJ-RBUKOAKNSA-N 2 1 454.593 0.429 20 0 JCADMP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1C[N@H+](C)CCN1C)S(=O)(=O)c1ccc(C)cc1 ZINC001185266792 1068968822 /nfs/dbraw/zinc/96/88/22/1068968822.db2.gz GMVUYFKXWMGLGJ-RBUKOAKNSA-N 2 1 454.593 0.429 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3C[N@H+](C)CCN3C)nc2C(N)=O)nc1C ZINC001185267385 1068968348 /nfs/dbraw/zinc/96/83/48/1068968348.db2.gz SPSVZMURAKMDQD-NLWGTHIKSA-N 2 1 495.632 0.794 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3C[N@H+](C)CCN3C)nc2C(N)=O)nc1C ZINC001185267386 1068968699 /nfs/dbraw/zinc/96/86/99/1068968699.db2.gz SPSVZMURAKMDQD-NSHGMRRFSA-N 2 1 495.632 0.794 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C[N@H+]3CC[C@@H](O)C3)nc2C(N)=O)nc1C ZINC001186054165 1069068599 /nfs/dbraw/zinc/06/85/99/1069068599.db2.gz BNTWBWRJIGREGP-FGTMMUONSA-N 2 1 482.589 0.615 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C[N@@H+]3CC[C@@H](O)C3)nc2C(N)=O)nc1C ZINC001186054165 1069068593 /nfs/dbraw/zinc/06/85/93/1069068593.db2.gz BNTWBWRJIGREGP-FGTMMUONSA-N 2 1 482.589 0.615 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C[N@H+]3CC[C@H](O)C3)nc2C(N)=O)nc1C ZINC001186054168 1069068568 /nfs/dbraw/zinc/06/85/68/1069068568.db2.gz BNTWBWRJIGREGP-OKZBNKHCSA-N 2 1 482.589 0.615 20 0 JCADMP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C[N@@H+]3CC[C@H](O)C3)nc2C(N)=O)nc1C ZINC001186054168 1069068565 /nfs/dbraw/zinc/06/85/65/1069068565.db2.gz BNTWBWRJIGREGP-OKZBNKHCSA-N 2 1 482.589 0.615 20 0 JCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)C1 ZINC001186101098 1069072706 /nfs/dbraw/zinc/07/27/06/1069072706.db2.gz PWRUTYMSMZBKBN-KRWDZBQOSA-N 2 1 460.579 0.238 20 0 JCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)C1 ZINC001186101098 1069072701 /nfs/dbraw/zinc/07/27/01/1069072701.db2.gz PWRUTYMSMZBKBN-KRWDZBQOSA-N 2 1 460.579 0.238 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466658 1069234491 /nfs/dbraw/zinc/23/44/91/1069234491.db2.gz DGSMWUMLBMKPMW-KUMDOQPPSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466658 1069234479 /nfs/dbraw/zinc/23/44/79/1069234479.db2.gz DGSMWUMLBMKPMW-KUMDOQPPSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466659 1069234444 /nfs/dbraw/zinc/23/44/44/1069234444.db2.gz DGSMWUMLBMKPMW-LEUUJVKFSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466659 1069234436 /nfs/dbraw/zinc/23/44/36/1069234436.db2.gz DGSMWUMLBMKPMW-LEUUJVKFSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466660 1069235129 /nfs/dbraw/zinc/23/51/29/1069235129.db2.gz DGSMWUMLBMKPMW-NBZYBJRUSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466660 1069235115 /nfs/dbraw/zinc/23/51/15/1069235115.db2.gz DGSMWUMLBMKPMW-NBZYBJRUSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466661 1069235306 /nfs/dbraw/zinc/23/53/06/1069235306.db2.gz DGSMWUMLBMKPMW-ZXZOHKHHSA-N 2 1 499.660 0.655 20 0 JCADMP CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001187466661 1069235294 /nfs/dbraw/zinc/23/52/94/1069235294.db2.gz DGSMWUMLBMKPMW-ZXZOHKHHSA-N 2 1 499.660 0.655 20 0 JCADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC001190985199 1069384809 /nfs/dbraw/zinc/38/48/09/1069384809.db2.gz OESLDEQEXRERNG-IBGZPJMESA-N 2 1 451.612 0.942 20 0 JCADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC001190985201 1069385085 /nfs/dbraw/zinc/38/50/85/1069385085.db2.gz OESLDEQEXRERNG-LJQANCHMSA-N 2 1 451.612 0.942 20 0 JCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001192987672 1069478979 /nfs/dbraw/zinc/47/89/79/1069478979.db2.gz DKYGEOARJLBYIZ-UHFFFAOYSA-N 2 1 455.600 0.228 20 0 JCADMP CN1CCN(c2cncc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2)CC1 ZINC001193951581 1069522011 /nfs/dbraw/zinc/52/20/11/1069522011.db2.gz LQFQXHDIOCWUBD-HLFCFCHVSA-N 2 1 492.665 0.743 20 0 JCADMP CN1CCN(c2cncc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2)CC1 ZINC001193951586 1069522063 /nfs/dbraw/zinc/52/20/63/1069522063.db2.gz LQFQXHDIOCWUBD-KIIOGERKSA-N 2 1 492.665 0.743 20 0 JCADMP CN1CCN(c2cncc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2)CC1 ZINC001193951589 1069522026 /nfs/dbraw/zinc/52/20/26/1069522026.db2.gz LQFQXHDIOCWUBD-PRWKWXBKSA-N 2 1 492.665 0.743 20 0 JCADMP CN1CCN(c2cncc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2)CC1 ZINC001193951592 1069522044 /nfs/dbraw/zinc/52/20/44/1069522044.db2.gz LQFQXHDIOCWUBD-RVVPWISLSA-N 2 1 492.665 0.743 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393232 1069638414 /nfs/dbraw/zinc/63/84/14/1069638414.db2.gz MAEJOJZRJHQVAP-FQEVSTJZSA-N 2 1 453.609 0.527 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393232 1069638408 /nfs/dbraw/zinc/63/84/08/1069638408.db2.gz MAEJOJZRJHQVAP-FQEVSTJZSA-N 2 1 453.609 0.527 20 0 JCADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393232 1069638399 /nfs/dbraw/zinc/63/83/99/1069638399.db2.gz MAEJOJZRJHQVAP-FQEVSTJZSA-N 2 1 453.609 0.527 20 0 JCADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393232 1069638393 /nfs/dbraw/zinc/63/83/93/1069638393.db2.gz MAEJOJZRJHQVAP-FQEVSTJZSA-N 2 1 453.609 0.527 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393234 1069638515 /nfs/dbraw/zinc/63/85/15/1069638515.db2.gz MAEJOJZRJHQVAP-HXUWFJFHSA-N 2 1 453.609 0.527 20 0 JCADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393234 1069638510 /nfs/dbraw/zinc/63/85/10/1069638510.db2.gz MAEJOJZRJHQVAP-HXUWFJFHSA-N 2 1 453.609 0.527 20 0 JCADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393234 1069638506 /nfs/dbraw/zinc/63/85/06/1069638506.db2.gz MAEJOJZRJHQVAP-HXUWFJFHSA-N 2 1 453.609 0.527 20 0 JCADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393234 1069638502 /nfs/dbraw/zinc/63/85/02/1069638502.db2.gz MAEJOJZRJHQVAP-HXUWFJFHSA-N 2 1 453.609 0.527 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783033 1069658422 /nfs/dbraw/zinc/65/84/22/1069658422.db2.gz WULWTBZZQIMHLD-BBWFWOEESA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783033 1069658418 /nfs/dbraw/zinc/65/84/18/1069658418.db2.gz WULWTBZZQIMHLD-BBWFWOEESA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783033 1069658416 /nfs/dbraw/zinc/65/84/16/1069658416.db2.gz WULWTBZZQIMHLD-BBWFWOEESA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783033 1069658411 /nfs/dbraw/zinc/65/84/11/1069658411.db2.gz WULWTBZZQIMHLD-BBWFWOEESA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783034 1069658308 /nfs/dbraw/zinc/65/83/08/1069658308.db2.gz WULWTBZZQIMHLD-ZACQAIPSSA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783034 1069658302 /nfs/dbraw/zinc/65/83/02/1069658302.db2.gz WULWTBZZQIMHLD-ZACQAIPSSA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783034 1069658298 /nfs/dbraw/zinc/65/82/98/1069658298.db2.gz WULWTBZZQIMHLD-ZACQAIPSSA-N 2 1 450.584 0.583 20 0 JCADMP CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(=O)[nH]c1=O ZINC001196783034 1069658293 /nfs/dbraw/zinc/65/82/93/1069658293.db2.gz WULWTBZZQIMHLD-ZACQAIPSSA-N 2 1 450.584 0.583 20 0 JCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC001197598474 1069698708 /nfs/dbraw/zinc/69/87/08/1069698708.db2.gz CJWRCODPMZMMON-JOCHJYFZSA-N 2 1 457.619 0.564 20 0 JCADMP O=C(c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001197599295 1069698870 /nfs/dbraw/zinc/69/88/70/1069698870.db2.gz MDCDECSAXMPUQV-BHIFYINESA-N 2 1 497.621 0.433 20 0 JCADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2nonc21 ZINC001197621784 1069697817 /nfs/dbraw/zinc/69/78/17/1069697817.db2.gz ZPZSCSAAJRCVLC-QGZVFWFLSA-N 2 1 488.570 0.645 20 0 JCADMP Cn1nnc2c1CCN(C(=O)c1ccncc1N1CC[NH+](C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001198145504 1069728658 /nfs/dbraw/zinc/72/86/58/1069728658.db2.gz BAYBSAUATKQJHD-JOCHJYFZSA-N 2 1 468.606 0.814 20 0 JCADMP Cn1nnc2c1CCN(C(=O)c1ccncc1N1CC[NH+](C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001198145509 1069728558 /nfs/dbraw/zinc/72/85/58/1069728558.db2.gz BAYBSAUATKQJHD-QFIPXVFZSA-N 2 1 468.606 0.814 20 0 JCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccncc1N1CC[NH+](C)CC1)CC2 ZINC001198145823 1069728798 /nfs/dbraw/zinc/72/87/98/1069728798.db2.gz KGXNZWKXFITJFJ-UHFFFAOYSA-N 2 1 457.623 0.144 20 0 JCADMP C[NH+]1CCN(c2cnccc2C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001198146264 1069729455 /nfs/dbraw/zinc/72/94/55/1069729455.db2.gz XJPKLKQGENAUJZ-PZJWPPBQSA-N 2 1 497.625 0.013 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccncc2N2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001198158240 1069731294 /nfs/dbraw/zinc/73/12/94/1069731294.db2.gz BELBSLNODLTWOY-OMKNMKTRSA-N 3 1 492.665 0.743 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccncc2N2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001198158241 1069731248 /nfs/dbraw/zinc/73/12/48/1069731248.db2.gz BELBSLNODLTWOY-RWGFNOPZSA-N 3 1 492.665 0.743 20 0 JCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccncc2N2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001198158242 1069731032 /nfs/dbraw/zinc/73/10/32/1069731032.db2.gz BELBSLNODLTWOY-TYEXILJQSA-N 3 1 492.665 0.743 20 0 JCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccncc2N2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001198158243 1069731505 /nfs/dbraw/zinc/73/15/05/1069731505.db2.gz BELBSLNODLTWOY-XTGKXIELSA-N 3 1 492.665 0.743 20 0 JCADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccncc2N2CC[NH+](C)CC2)c2nonc21 ZINC001198158590 1069731546 /nfs/dbraw/zinc/73/15/46/1069731546.db2.gz IPICGLJHCXBYDN-UHFFFAOYSA-N 2 1 488.574 0.225 20 0 JCADMP C[NH+]1CCN(c2ccncc2C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001199356243 1069818784 /nfs/dbraw/zinc/81/87/84/1069818784.db2.gz VBXWESYUSKHZKY-PZJWPPBQSA-N 2 1 497.625 0.013 20 0 JCADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cnccc2N2CC[NH+](C)CC2)c2nonc21 ZINC001199360146 1069822781 /nfs/dbraw/zinc/82/27/81/1069822781.db2.gz SBIKNOKBIJNMCH-UHFFFAOYSA-N 2 1 488.574 0.225 20 0 JCADMP O=C(c1c[nH+]ccc1N1CCCC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001199364415 1069822485 /nfs/dbraw/zinc/82/24/85/1069822485.db2.gz CAFPBHLJLLWFNZ-AZUAARDMSA-N 2 1 468.583 0.861 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)c2)CC1 ZINC001199821637 1069860990 /nfs/dbraw/zinc/86/09/90/1069860990.db2.gz PEUPBFGARKJPCR-SFHVURJKSA-N 2 1 453.609 0.980 20 0 JCADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)c2)CC1 ZINC001199821637 1069860975 /nfs/dbraw/zinc/86/09/75/1069860975.db2.gz PEUPBFGARKJPCR-SFHVURJKSA-N 2 1 453.609 0.980 20 0 JCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[NH+](CC(C)(C)O)C3)c2)CC1 ZINC001199821637 1069860959 /nfs/dbraw/zinc/86/09/59/1069860959.db2.gz PEUPBFGARKJPCR-SFHVURJKSA-N 2 1 453.609 0.980 20 0 JCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[NH+](CC(C)(C)O)C3)c2)CC1 ZINC001199821637 1069860942 /nfs/dbraw/zinc/86/09/42/1069860942.db2.gz PEUPBFGARKJPCR-SFHVURJKSA-N 2 1 453.609 0.980 20 0 JCADMP O=C(C1CC[NH+](C2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)CC1)N1CCOCC1 ZINC001199941782 1069868878 /nfs/dbraw/zinc/86/88/78/1069868878.db2.gz LAKBVMZARTVAGR-UHFFFAOYSA-N 2 1 467.680 0.618 20 0 JCADMP Cn1nnc2c1CCN(C(=S)NCCC[NH+]1CCOCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001199943236 1069864634 /nfs/dbraw/zinc/86/46/34/1069864634.db2.gz GNTOHEUHNBLHKI-IBGZPJMESA-N 2 1 451.641 0.424 20 0 JCADMP Cn1nnc2c1CCN(C(=S)NCCC[NH+]1CCOCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001199943244 1069864593 /nfs/dbraw/zinc/86/45/93/1069864593.db2.gz GNTOHEUHNBLHKI-LJQANCHMSA-N 2 1 451.641 0.424 20 0 JCADMP S=C(NCCC[NH+]1CCOCC1)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001199943896 1069865479 /nfs/dbraw/zinc/86/54/79/1069865479.db2.gz PKXJZZMZWWDGEF-UHFFFAOYSA-N 2 1 451.641 0.693 20 0 JCADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001212000714 1069983126 /nfs/dbraw/zinc/98/31/26/1069983126.db2.gz TXERGIDUBYAJTE-SFTDATJTSA-N 2 1 467.526 0.994 20 0 JCADMP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)(N2CCOCC2)CC1 ZINC001299362007 1070341701 /nfs/dbraw/zinc/34/17/01/1070341701.db2.gz OPWDROYQSDMEPF-UHFFFAOYSA-N 2 1 453.628 0.842 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001545670677 1070287430 /nfs/dbraw/zinc/28/74/30/1070287430.db2.gz UKJLHQXUAFNQBX-FHWLQOOXSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001545670677 1070287412 /nfs/dbraw/zinc/28/74/12/1070287412.db2.gz UKJLHQXUAFNQBX-FHWLQOOXSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001545670677 1070287398 /nfs/dbraw/zinc/28/73/98/1070287398.db2.gz UKJLHQXUAFNQBX-FHWLQOOXSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001545670678 1070287542 /nfs/dbraw/zinc/28/75/42/1070287542.db2.gz UKJLHQXUAFNQBX-GBESFXJTSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001545670678 1070287529 /nfs/dbraw/zinc/28/75/29/1070287529.db2.gz UKJLHQXUAFNQBX-GBESFXJTSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001545670678 1070287519 /nfs/dbraw/zinc/28/75/19/1070287519.db2.gz UKJLHQXUAFNQBX-GBESFXJTSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001545670679 1070287224 /nfs/dbraw/zinc/28/72/24/1070287224.db2.gz UKJLHQXUAFNQBX-IPMKNSEASA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001545670679 1070287211 /nfs/dbraw/zinc/28/72/11/1070287211.db2.gz UKJLHQXUAFNQBX-IPMKNSEASA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001545670679 1070287190 /nfs/dbraw/zinc/28/71/90/1070287190.db2.gz UKJLHQXUAFNQBX-IPMKNSEASA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001545670680 1070287321 /nfs/dbraw/zinc/28/73/21/1070287321.db2.gz UKJLHQXUAFNQBX-OTWHNJEPSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001545670680 1070287310 /nfs/dbraw/zinc/28/73/10/1070287310.db2.gz UKJLHQXUAFNQBX-OTWHNJEPSA-N 2 1 460.627 0.702 20 0 JCADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001545670680 1070287301 /nfs/dbraw/zinc/28/73/01/1070287301.db2.gz UKJLHQXUAFNQBX-OTWHNJEPSA-N 2 1 460.627 0.702 20 0 JCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001687426656 1070025097 /nfs/dbraw/zinc/02/50/97/1070025097.db2.gz NWUDJFXJWQUXDB-JOCHJYFZSA-N 2 1 450.672 0.983 20 0 JCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001687426657 1070025031 /nfs/dbraw/zinc/02/50/31/1070025031.db2.gz NWUDJFXJWQUXDB-QFIPXVFZSA-N 2 1 450.672 0.983 20 0 JCADMP