smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164404044 718837500 /nfs/dbraw/zinc/83/75/00/718837500.db2.gz KZEFMASPQAEUCG-MSOLQXFVSA-N 2 1 430.597 0.974 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164404049 718837536 /nfs/dbraw/zinc/83/75/36/718837536.db2.gz KZEFMASPQAEUCG-QZTJIDSGSA-N 2 1 430.597 0.974 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164404053 718837439 /nfs/dbraw/zinc/83/74/39/718837439.db2.gz KZEFMASPQAEUCG-ROUUACIJSA-N 2 1 430.597 0.974 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164404055 718837563 /nfs/dbraw/zinc/83/75/63/718837563.db2.gz KZEFMASPQAEUCG-ZWKOTPCHSA-N 2 1 430.597 0.974 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164406299 718852370 /nfs/dbraw/zinc/85/23/70/718852370.db2.gz NKJGZWJJJOIXIY-DGGJZMOXSA-N 2 1 431.581 0.899 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164406319 718852341 /nfs/dbraw/zinc/85/23/41/718852341.db2.gz NKJGZWJJJOIXIY-HKARXFIJSA-N 2 1 431.581 0.899 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164406324 718852391 /nfs/dbraw/zinc/85/23/91/718852391.db2.gz NKJGZWJJJOIXIY-QQMNAOGKSA-N 2 1 431.581 0.899 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164406327 718852466 /nfs/dbraw/zinc/85/24/66/718852466.db2.gz NKJGZWJJJOIXIY-SAHWJRBASA-N 2 1 431.581 0.899 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164411067 718878856 /nfs/dbraw/zinc/87/88/56/718878856.db2.gz LWZVYYRLWGFLCL-HNNXBMFYSA-N 2 1 430.553 0.159 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164411067 718878852 /nfs/dbraw/zinc/87/88/52/718878852.db2.gz LWZVYYRLWGFLCL-HNNXBMFYSA-N 2 1 430.553 0.159 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164411068 718879106 /nfs/dbraw/zinc/87/91/06/718879106.db2.gz LWZVYYRLWGFLCL-OAHLLOKOSA-N 2 1 430.553 0.159 20 0 ICADMP CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164411068 718879105 /nfs/dbraw/zinc/87/91/05/718879105.db2.gz LWZVYYRLWGFLCL-OAHLLOKOSA-N 2 1 430.553 0.159 20 0 ICADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5C[C@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164418574 718887728 /nfs/dbraw/zinc/88/77/28/718887728.db2.gz PCZGRHOPVACLDN-BTYIYWSLSA-N 2 1 429.594 0.813 20 0 ICADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5C[C@@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164418578 718887791 /nfs/dbraw/zinc/88/77/91/718887791.db2.gz PCZGRHOPVACLDN-QVKFZJNVSA-N 2 1 429.594 0.813 20 0 ICADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431699 718970825 /nfs/dbraw/zinc/97/08/25/718970825.db2.gz ALYGQUTYZFHBHZ-MSOLQXFVSA-N 2 1 428.459 0.750 20 0 ICADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431700 718970775 /nfs/dbraw/zinc/97/07/75/718970775.db2.gz ALYGQUTYZFHBHZ-QZTJIDSGSA-N 2 1 428.459 0.750 20 0 ICADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431702 718971034 /nfs/dbraw/zinc/97/10/34/718971034.db2.gz ALYGQUTYZFHBHZ-ROUUACIJSA-N 2 1 428.459 0.750 20 0 ICADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164431704 718970579 /nfs/dbraw/zinc/97/05/79/718970579.db2.gz ALYGQUTYZFHBHZ-ZWKOTPCHSA-N 2 1 428.459 0.750 20 0 ICADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5[C@@H]([NH3+])[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164439901 718985586 /nfs/dbraw/zinc/98/55/86/718985586.db2.gz HBZFLSRYAMAPNS-VQFNDLOPSA-N 2 1 429.594 0.669 20 0 ICADMP COC(=O)[C@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164630624 719134488 /nfs/dbraw/zinc/13/44/88/719134488.db2.gz KHIWAIIVNWIWAR-CRAIPNDOSA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164630624 719134481 /nfs/dbraw/zinc/13/44/81/719134481.db2.gz KHIWAIIVNWIWAR-CRAIPNDOSA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164630625 719134017 /nfs/dbraw/zinc/13/40/17/719134017.db2.gz KHIWAIIVNWIWAR-MAUKXSAKSA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164630625 719134012 /nfs/dbraw/zinc/13/40/12/719134012.db2.gz KHIWAIIVNWIWAR-MAUKXSAKSA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164630626 719134267 /nfs/dbraw/zinc/13/42/67/719134267.db2.gz KHIWAIIVNWIWAR-QAPCUYQASA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164630626 719134259 /nfs/dbraw/zinc/13/42/59/719134259.db2.gz KHIWAIIVNWIWAR-QAPCUYQASA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164630627 719134808 /nfs/dbraw/zinc/13/48/08/719134808.db2.gz KHIWAIIVNWIWAR-YJBOKZPZSA-N 2 1 433.553 0.832 20 0 ICADMP COC(=O)[C@@H]1C[NH2+]CCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164630627 719134807 /nfs/dbraw/zinc/13/48/07/719134807.db2.gz KHIWAIIVNWIWAR-YJBOKZPZSA-N 2 1 433.553 0.832 20 0 ICADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164649685 719306866 /nfs/dbraw/zinc/30/68/66/719306866.db2.gz VXXDJSHTUZHXNG-UHFFFAOYSA-N 2 1 447.609 0.970 20 0 ICADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679729 719644974 /nfs/dbraw/zinc/64/49/74/719644974.db2.gz KRRNKRQNOMINCF-UHFFFAOYSA-N 2 1 446.577 0.624 20 0 ICADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679729 719644962 /nfs/dbraw/zinc/64/49/62/719644962.db2.gz KRRNKRQNOMINCF-UHFFFAOYSA-N 2 1 446.577 0.624 20 0 ICADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)c2c1CC[NH2+]C2 ZINC001164680195 719639145 /nfs/dbraw/zinc/63/91/45/719639145.db2.gz SARDVJZDQAGOKF-UHFFFAOYSA-N 2 1 434.566 0.774 20 0 ICADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)c2c1CC[NH2+]C2 ZINC001164680195 719639139 /nfs/dbraw/zinc/63/91/39/719639139.db2.gz SARDVJZDQAGOKF-UHFFFAOYSA-N 2 1 434.566 0.774 20 0 ICADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164681582 719632529 /nfs/dbraw/zinc/63/25/29/719632529.db2.gz IMENGIPNAMUCNO-UHFFFAOYSA-N 2 1 434.566 0.774 20 0 ICADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164681582 719632526 /nfs/dbraw/zinc/63/25/26/719632526.db2.gz IMENGIPNAMUCNO-UHFFFAOYSA-N 2 1 434.566 0.774 20 0 ICADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3c(ncn3C)c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164682487 719614748 /nfs/dbraw/zinc/61/47/48/719614748.db2.gz DNFQAMBZSDOXHT-UHFFFAOYSA-N 2 1 425.541 0.872 20 0 ICADMP CC(C)[N@H+](C)Cc1nn(-c2nc3c(ncn3C)c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164682487 719614737 /nfs/dbraw/zinc/61/47/37/719614737.db2.gz DNFQAMBZSDOXHT-UHFFFAOYSA-N 2 1 425.541 0.872 20 0 ICADMP Cn1nnc2c1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715998 720200223 /nfs/dbraw/zinc/20/02/23/720200223.db2.gz NWTBUOQJTKLLBJ-IBGZPJMESA-N 2 1 441.584 0.573 20 0 ICADMP Cn1nnc2c1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715999 720200714 /nfs/dbraw/zinc/20/07/14/720200714.db2.gz NWTBUOQJTKLLBJ-LJQANCHMSA-N 2 1 441.584 0.573 20 0 ICADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164720956 720301583 /nfs/dbraw/zinc/30/15/83/720301583.db2.gz GANQCCCOSPIRQK-JOCHJYFZSA-N 2 1 432.569 0.520 20 0 ICADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164720956 720301577 /nfs/dbraw/zinc/30/15/77/720301577.db2.gz GANQCCCOSPIRQK-JOCHJYFZSA-N 2 1 432.569 0.520 20 0 ICADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164720957 720300453 /nfs/dbraw/zinc/30/04/53/720300453.db2.gz GANQCCCOSPIRQK-QFIPXVFZSA-N 2 1 432.569 0.520 20 0 ICADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C2)C1 ZINC001164720957 720300444 /nfs/dbraw/zinc/30/04/44/720300444.db2.gz GANQCCCOSPIRQK-QFIPXVFZSA-N 2 1 432.569 0.520 20 0 ICADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164749589 720949080 /nfs/dbraw/zinc/94/90/80/720949080.db2.gz HYRBXZOOUUBEON-UHFFFAOYSA-N 2 1 427.465 0.977 20 0 ICADMP CCc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(N2CCOCC2)[nH+]1 ZINC001164750952 720959331 /nfs/dbraw/zinc/95/93/31/720959331.db2.gz NQAOZTZBJKHCOT-UHFFFAOYSA-N 2 1 429.525 0.718 20 0 ICADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810401 720070639 /nfs/dbraw/zinc/07/06/39/720070639.db2.gz LQAHHKGPTXJTKU-HTAPYJJXSA-N 2 1 449.621 0.753 20 0 ICADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810402 720070933 /nfs/dbraw/zinc/07/09/33/720070933.db2.gz LQAHHKGPTXJTKU-JTSKRJEESA-N 2 1 449.621 0.753 20 0 ICADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810403 720070247 /nfs/dbraw/zinc/07/02/47/720070247.db2.gz LQAHHKGPTXJTKU-VGOFRKELSA-N 2 1 449.621 0.753 20 0 ICADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001164810404 720070372 /nfs/dbraw/zinc/07/03/72/720070372.db2.gz LQAHHKGPTXJTKU-VGSWGCGISA-N 2 1 449.621 0.753 20 0 ICADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CC[NH2+]CC1)CCC2 ZINC001164812780 720229358 /nfs/dbraw/zinc/22/93/58/720229358.db2.gz IDTSFMHJUHFFBA-UHFFFAOYSA-N 2 1 439.564 0.934 20 0 ICADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164869758 721131596 /nfs/dbraw/zinc/13/15/96/721131596.db2.gz BBKQFNYZSZVMAZ-MOPGFXCFSA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164869758 721131586 /nfs/dbraw/zinc/13/15/86/721131586.db2.gz BBKQFNYZSZVMAZ-MOPGFXCFSA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164869759 721133046 /nfs/dbraw/zinc/13/30/46/721133046.db2.gz BBKQFNYZSZVMAZ-OALUTQOASA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164869759 721133036 /nfs/dbraw/zinc/13/30/36/721133036.db2.gz BBKQFNYZSZVMAZ-OALUTQOASA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164869760 721131692 /nfs/dbraw/zinc/13/16/92/721131692.db2.gz BBKQFNYZSZVMAZ-RBUKOAKNSA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164869760 721131682 /nfs/dbraw/zinc/13/16/82/721131682.db2.gz BBKQFNYZSZVMAZ-RBUKOAKNSA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164869761 721133182 /nfs/dbraw/zinc/13/31/82/721133182.db2.gz BBKQFNYZSZVMAZ-RTBURBONSA-N 2 1 437.548 0.791 20 0 ICADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164869761 721133166 /nfs/dbraw/zinc/13/31/66/721133166.db2.gz BBKQFNYZSZVMAZ-RTBURBONSA-N 2 1 437.548 0.791 20 0 ICADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(N4CCC([NH3+])CC4)n3)CC2)C1 ZINC001164872451 721279724 /nfs/dbraw/zinc/27/97/24/721279724.db2.gz DJSKZDHDTVWUOY-UHFFFAOYSA-N 2 1 431.585 0.411 20 0 ICADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)C1 ZINC001164872779 721263251 /nfs/dbraw/zinc/26/32/51/721263251.db2.gz FWOUBDBJOORJDW-UHFFFAOYSA-N 2 1 431.585 0.235 20 0 ICADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)C1 ZINC001164877218 721286801 /nfs/dbraw/zinc/28/68/01/721286801.db2.gz MGVMOIIJNCUFNI-UHFFFAOYSA-N 2 1 432.569 0.614 20 0 ICADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC2)C1 ZINC001164877829 721289737 /nfs/dbraw/zinc/28/97/37/721289737.db2.gz PCHCDKHFGUQEFF-UHFFFAOYSA-N 2 1 446.596 0.862 20 0 ICADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)CC1 ZINC001164996633 722235567 /nfs/dbraw/zinc/23/55/67/722235567.db2.gz HKZNSBATCIDBHA-UHFFFAOYSA-N 2 1 436.564 0.274 20 0 ICADMP C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CCC2 ZINC001165001882 722256073 /nfs/dbraw/zinc/25/60/73/722256073.db2.gz IBLVXHSUVFIZDG-UHFFFAOYSA-N 2 1 442.568 0.601 20 0 ICADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001467010504 1068991837 /nfs/dbraw/zinc/99/18/37/1068991837.db2.gz SXWUEGSFRQWXJD-UHFFFAOYSA-N 2 1 432.569 0.994 20 0 ICADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)CC1 ZINC001467344696 1069000712 /nfs/dbraw/zinc/00/07/12/1069000712.db2.gz NFFUHQVBAGLBEX-HBMCJLEFSA-N 2 1 435.613 0.375 20 0 ICADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)CC1 ZINC001467344698 1069000675 /nfs/dbraw/zinc/00/06/75/1069000675.db2.gz NFFUHQVBAGLBEX-QHAWAJNXSA-N 2 1 435.613 0.375 20 0 ICADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2)CC1 ZINC001467603773 1069017666 /nfs/dbraw/zinc/01/76/66/1069017666.db2.gz MRZKRZBRROHFIU-LADGPHEKSA-N 2 1 445.608 0.849 20 0 ICADMP C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC001467630582 1069019135 /nfs/dbraw/zinc/01/91/35/1069019135.db2.gz NJYVIKOMGAJGFN-UHFFFAOYSA-N 2 1 444.580 0.347 20 0 ICADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001467646545 1069020768 /nfs/dbraw/zinc/02/07/68/1069020768.db2.gz JLIKKEQSVHKRMR-UHFFFAOYSA-N 2 1 431.581 0.913 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC001467900257 1069046192 /nfs/dbraw/zinc/04/61/92/1069046192.db2.gz ZVFWZKVQXHMSNZ-AQNXPRMDSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC001467900257 1069046170 /nfs/dbraw/zinc/04/61/70/1069046170.db2.gz ZVFWZKVQXHMSNZ-AQNXPRMDSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900258 1069047045 /nfs/dbraw/zinc/04/70/45/1069047045.db2.gz ZVFWZKVQXHMSNZ-HSALFYBXSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900258 1069047032 /nfs/dbraw/zinc/04/70/32/1069047032.db2.gz ZVFWZKVQXHMSNZ-HSALFYBXSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900258 1069047016 /nfs/dbraw/zinc/04/70/16/1069047016.db2.gz ZVFWZKVQXHMSNZ-HSALFYBXSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900258 1069047004 /nfs/dbraw/zinc/04/70/04/1069047004.db2.gz ZVFWZKVQXHMSNZ-HSALFYBXSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC001467900259 1069046475 /nfs/dbraw/zinc/04/64/75/1069046475.db2.gz ZVFWZKVQXHMSNZ-VAMGGRTRSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC001467900259 1069046456 /nfs/dbraw/zinc/04/64/56/1069046456.db2.gz ZVFWZKVQXHMSNZ-VAMGGRTRSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900260 1069046936 /nfs/dbraw/zinc/04/69/36/1069046936.db2.gz ZVFWZKVQXHMSNZ-ZCNNSNEGSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900260 1069046916 /nfs/dbraw/zinc/04/69/16/1069046916.db2.gz ZVFWZKVQXHMSNZ-ZCNNSNEGSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900260 1069046898 /nfs/dbraw/zinc/04/68/98/1069046898.db2.gz ZVFWZKVQXHMSNZ-ZCNNSNEGSA-N 2 1 425.618 0.970 20 0 ICADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC001467900260 1069046882 /nfs/dbraw/zinc/04/68/82/1069046882.db2.gz ZVFWZKVQXHMSNZ-ZCNNSNEGSA-N 2 1 425.618 0.970 20 0 ICADMP C[NH+]1CCN(C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c2ccccc2)CC1 ZINC001468580305 1069138971 /nfs/dbraw/zinc/13/89/71/1069138971.db2.gz NJNBUFMWPZEMQE-QNWVGRARSA-N 2 1 431.581 0.500 20 0 ICADMP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c2ccccc2)CC1 ZINC001468580312 1069139049 /nfs/dbraw/zinc/13/90/49/1069139049.db2.gz NJNBUFMWPZEMQE-QZNHQXDQSA-N 2 1 431.581 0.500 20 0 ICADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1 ZINC001468583823 1069139734 /nfs/dbraw/zinc/13/97/34/1069139734.db2.gz QGXXFJDFQPRDRU-SIKLNZKXSA-N 2 1 433.553 0.003 20 0 ICADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001468608053 1069141896 /nfs/dbraw/zinc/14/18/96/1069141896.db2.gz PQZZUHSMEKZHDB-NRFANRHFSA-N 2 1 431.581 0.995 20 0 ICADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001468608057 1069141891 /nfs/dbraw/zinc/14/18/91/1069141891.db2.gz PQZZUHSMEKZHDB-OAQYLSRUSA-N 2 1 431.581 0.995 20 0 ICADMP C[NH+](C)CCN1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1=O ZINC001468715811 1069155668 /nfs/dbraw/zinc/15/56/68/1069155668.db2.gz NSUMMRRDENCNSU-FQEVSTJZSA-N 2 1 444.580 0.299 20 0 ICADMP C[NH+](C)CCN1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1=O ZINC001468715812 1069155739 /nfs/dbraw/zinc/15/57/39/1069155739.db2.gz NSUMMRRDENCNSU-HXUWFJFHSA-N 2 1 444.580 0.299 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173139 /nfs/dbraw/zinc/17/31/39/1069173139.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173131 /nfs/dbraw/zinc/17/31/31/1069173131.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173123 /nfs/dbraw/zinc/17/31/23/1069173123.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863373 1069173118 /nfs/dbraw/zinc/17/31/18/1069173118.db2.gz QYWLQLVOKAJEQF-LEWJYISDSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173245 /nfs/dbraw/zinc/17/32/45/1069173245.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173234 /nfs/dbraw/zinc/17/32/34/1069173234.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173232 /nfs/dbraw/zinc/17/32/32/1069173232.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863376 1069173225 /nfs/dbraw/zinc/17/32/25/1069173225.db2.gz QYWLQLVOKAJEQF-NHCUHLMSSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173320 /nfs/dbraw/zinc/17/33/20/1069173320.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173314 /nfs/dbraw/zinc/17/33/14/1069173314.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173309 /nfs/dbraw/zinc/17/33/09/1069173309.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001468863378 1069173302 /nfs/dbraw/zinc/17/33/02/1069173302.db2.gz QYWLQLVOKAJEQF-RTWAWAEBSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173065 /nfs/dbraw/zinc/17/30/65/1069173065.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 1 430.597 0.689 20 0 ICADMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173058 /nfs/dbraw/zinc/17/30/58/1069173058.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173051 /nfs/dbraw/zinc/17/30/51/1069173051.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 1 430.597 0.689 20 0 ICADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001468863380 1069173040 /nfs/dbraw/zinc/17/30/40/1069173040.db2.gz QYWLQLVOKAJEQF-SFTDATJTSA-N 2 1 430.597 0.689 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001470026749 1069272884 /nfs/dbraw/zinc/27/28/84/1069272884.db2.gz REVHSQPDFIRMGT-INIZCTEOSA-N 2 1 441.598 0.172 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001470026749 1069272871 /nfs/dbraw/zinc/27/28/71/1069272871.db2.gz REVHSQPDFIRMGT-INIZCTEOSA-N 2 1 441.598 0.172 20 0 ICADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001470451630 1069318724 /nfs/dbraw/zinc/31/87/24/1069318724.db2.gz JQHAERZFRQRENV-UHFFFAOYSA-N 2 1 437.585 0.383 20 0 ICADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001470452856 1069319156 /nfs/dbraw/zinc/31/91/56/1069319156.db2.gz QKJZAWOZMSSXEG-NRFANRHFSA-N 2 1 432.565 0.934 20 0 ICADMP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001470452856 1069319139 /nfs/dbraw/zinc/31/91/39/1069319139.db2.gz QKJZAWOZMSSXEG-NRFANRHFSA-N 2 1 432.565 0.934 20 0 ICADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001470452859 1069319365 /nfs/dbraw/zinc/31/93/65/1069319365.db2.gz QKJZAWOZMSSXEG-OAQYLSRUSA-N 2 1 432.565 0.934 20 0 ICADMP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001470452859 1069319351 /nfs/dbraw/zinc/31/93/51/1069319351.db2.gz QKJZAWOZMSSXEG-OAQYLSRUSA-N 2 1 432.565 0.934 20 0 ICADMP COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@@H+](C)C1 ZINC001470518854 1069323005 /nfs/dbraw/zinc/32/30/05/1069323005.db2.gz RLVTUIFDKMHPSG-FQEVSTJZSA-N 2 1 445.564 0.630 20 0 ICADMP COC(=O)[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@@H+](C)C1 ZINC001470518863 1069323216 /nfs/dbraw/zinc/32/32/16/1069323216.db2.gz RLVTUIFDKMHPSG-HXUWFJFHSA-N 2 1 445.564 0.630 20 0 ICADMP CN1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@@H+](C)CC1 ZINC001470523926 1069323431 /nfs/dbraw/zinc/32/34/31/1069323431.db2.gz WIPAGQVZTJZTTI-UHFFFAOYSA-N 2 1 430.597 0.773 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771204 1069352255 /nfs/dbraw/zinc/35/22/55/1069352255.db2.gz DVOBPMFTUDKUAE-ROUUACIJSA-N 2 1 445.564 0.965 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771204 1069352240 /nfs/dbraw/zinc/35/22/40/1069352240.db2.gz DVOBPMFTUDKUAE-ROUUACIJSA-N 2 1 445.564 0.965 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771205 1069352547 /nfs/dbraw/zinc/35/25/47/1069352547.db2.gz DVOBPMFTUDKUAE-ZWKOTPCHSA-N 2 1 445.564 0.965 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771205 1069352530 /nfs/dbraw/zinc/35/25/30/1069352530.db2.gz DVOBPMFTUDKUAE-ZWKOTPCHSA-N 2 1 445.564 0.965 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001470772062 1069352619 /nfs/dbraw/zinc/35/26/19/1069352619.db2.gz JBHZWGFFGOLRAZ-KRWDZBQOSA-N 2 1 440.614 0.438 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001470772062 1069352604 /nfs/dbraw/zinc/35/26/04/1069352604.db2.gz JBHZWGFFGOLRAZ-KRWDZBQOSA-N 2 1 440.614 0.438 20 0 ICADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935926 1069370737 /nfs/dbraw/zinc/37/07/37/1069370737.db2.gz PONPEIJJSUOWPJ-FCHUYYIVSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935926 1069370725 /nfs/dbraw/zinc/37/07/25/1069370725.db2.gz PONPEIJJSUOWPJ-FCHUYYIVSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935926 1069370712 /nfs/dbraw/zinc/37/07/12/1069370712.db2.gz PONPEIJJSUOWPJ-FCHUYYIVSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935926 1069370703 /nfs/dbraw/zinc/37/07/03/1069370703.db2.gz PONPEIJJSUOWPJ-FCHUYYIVSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935931 1069370892 /nfs/dbraw/zinc/37/08/92/1069370892.db2.gz PONPEIJJSUOWPJ-FGZHOGPDSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935931 1069370885 /nfs/dbraw/zinc/37/08/85/1069370885.db2.gz PONPEIJJSUOWPJ-FGZHOGPDSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935931 1069370877 /nfs/dbraw/zinc/37/08/77/1069370877.db2.gz PONPEIJJSUOWPJ-FGZHOGPDSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935931 1069370872 /nfs/dbraw/zinc/37/08/72/1069370872.db2.gz PONPEIJJSUOWPJ-FGZHOGPDSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935935 1069370818 /nfs/dbraw/zinc/37/08/18/1069370818.db2.gz PONPEIJJSUOWPJ-VXKWHMMOSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935935 1069370806 /nfs/dbraw/zinc/37/08/06/1069370806.db2.gz PONPEIJJSUOWPJ-VXKWHMMOSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935935 1069370800 /nfs/dbraw/zinc/37/08/00/1069370800.db2.gz PONPEIJJSUOWPJ-VXKWHMMOSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935935 1069370791 /nfs/dbraw/zinc/37/07/91/1069370791.db2.gz PONPEIJJSUOWPJ-VXKWHMMOSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935938 1069370627 /nfs/dbraw/zinc/37/06/27/1069370627.db2.gz PONPEIJJSUOWPJ-YADHBBJMSA-N 2 1 442.608 0.751 20 0 ICADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC001470935938 1069370611 /nfs/dbraw/zinc/37/06/11/1069370611.db2.gz PONPEIJJSUOWPJ-YADHBBJMSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935938 1069370593 /nfs/dbraw/zinc/37/05/93/1069370593.db2.gz PONPEIJJSUOWPJ-YADHBBJMSA-N 2 1 442.608 0.751 20 0 ICADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC1 ZINC001470935938 1069370576 /nfs/dbraw/zinc/37/05/76/1069370576.db2.gz PONPEIJJSUOWPJ-YADHBBJMSA-N 2 1 442.608 0.751 20 0 ICADMP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+](C)C1 ZINC001471322869 1069417184 /nfs/dbraw/zinc/41/71/84/1069417184.db2.gz RBHOSUXMBAPXRN-INIZCTEOSA-N 2 1 441.573 0.722 20 0 ICADMP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+](C)C1 ZINC001471322870 1069417157 /nfs/dbraw/zinc/41/71/57/1069417157.db2.gz RBHOSUXMBAPXRN-MRXNPFEDSA-N 2 1 441.573 0.722 20 0 ICADMP CN1CCN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+](C)CC1 ZINC001471323068 1069417298 /nfs/dbraw/zinc/41/72/98/1069417298.db2.gz SQDLICRSVLWIFS-UHFFFAOYSA-N 2 1 426.606 0.864 20 0 ICADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001471410198 1069432177 /nfs/dbraw/zinc/43/21/77/1069432177.db2.gz TUALGXQFESICSM-IBGZPJMESA-N 2 1 433.553 0.024 20 0 ICADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001471410198 1069432166 /nfs/dbraw/zinc/43/21/66/1069432166.db2.gz TUALGXQFESICSM-IBGZPJMESA-N 2 1 433.553 0.024 20 0 ICADMP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)ccc2[nH]c1=O ZINC001471538258 1069452577 /nfs/dbraw/zinc/45/25/77/1069452577.db2.gz OOROQYVFKFRLHD-IBGZPJMESA-N 2 1 444.580 0.830 20 0 ICADMP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)ccc2[nH]c1=O ZINC001471538259 1069452703 /nfs/dbraw/zinc/45/27/03/1069452703.db2.gz OOROQYVFKFRLHD-LJQANCHMSA-N 2 1 444.580 0.830 20 0 ICADMP CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC001472364273 1069555909 /nfs/dbraw/zinc/55/59/09/1069555909.db2.gz OTLKBMNNVCXNOF-FQEVSTJZSA-N 2 1 426.565 0.950 20 0 ICADMP CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC001472364274 1069556000 /nfs/dbraw/zinc/55/60/00/1069556000.db2.gz OTLKBMNNVCXNOF-HXUWFJFHSA-N 2 1 426.565 0.950 20 0 ICADMP C[NH+]1CCC(NC(=O)CN2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001473641736 1069611489 /nfs/dbraw/zinc/61/14/89/1069611489.db2.gz UYXZPULFBABCKF-UHFFFAOYSA-N 2 1 442.608 0.752 20 0 ICADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473642841 1069612342 /nfs/dbraw/zinc/61/23/42/1069612342.db2.gz NDJDSJTXCNBTBJ-JOCHJYFZSA-N 2 1 433.597 0.481 20 0 ICADMP COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473642841 1069612338 /nfs/dbraw/zinc/61/23/38/1069612338.db2.gz NDJDSJTXCNBTBJ-JOCHJYFZSA-N 2 1 433.597 0.481 20 0 ICADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473642842 1069612373 /nfs/dbraw/zinc/61/23/73/1069612373.db2.gz NDJDSJTXCNBTBJ-QFIPXVFZSA-N 2 1 433.597 0.481 20 0 ICADMP COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473642842 1069612372 /nfs/dbraw/zinc/61/23/72/1069612372.db2.gz NDJDSJTXCNBTBJ-QFIPXVFZSA-N 2 1 433.597 0.481 20 0 ICADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC001473682914 1069618875 /nfs/dbraw/zinc/61/88/75/1069618875.db2.gz KJUNRBSGIOCINF-ATVHPVEESA-N 2 1 447.561 0.623 20 0 ICADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC001473682916 1069618806 /nfs/dbraw/zinc/61/88/06/1069618806.db2.gz KJUNRBSGIOCINF-SFQUDFHCSA-N 2 1 447.561 0.623 20 0 ICADMP CN(CC[NH+](C)CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001475478031 1069756329 /nfs/dbraw/zinc/75/63/29/1069756329.db2.gz RQYDWWXYKRBVDK-QFIPXVFZSA-N 2 1 448.589 0.962 20 0 ICADMP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC001475478031 1069756307 /nfs/dbraw/zinc/75/63/07/1069756307.db2.gz RQYDWWXYKRBVDK-QFIPXVFZSA-N 2 1 448.589 0.962 20 0 ICADMP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC001475478031 1069756291 /nfs/dbraw/zinc/75/62/91/1069756291.db2.gz RQYDWWXYKRBVDK-QFIPXVFZSA-N 2 1 448.589 0.962 20 0 ICADMP CN(CCN(C)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)CCN1C(=O)c2ccccc2C1=O ZINC001475478031 1069756283 /nfs/dbraw/zinc/75/62/83/1069756283.db2.gz RQYDWWXYKRBVDK-QFIPXVFZSA-N 2 1 448.589 0.962 20 0 ICADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001477275738 1069913855 /nfs/dbraw/zinc/91/38/55/1069913855.db2.gz ZJMQCOGFWULHNG-UHFFFAOYSA-N 2 1 438.617 0.073 20 0 ICADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001477710977 1069940639 /nfs/dbraw/zinc/94/06/39/1069940639.db2.gz RZWYDHQGKHBJRL-PMACEKPBSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477710977 1069940633 /nfs/dbraw/zinc/94/06/33/1069940633.db2.gz RZWYDHQGKHBJRL-PMACEKPBSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710977 1069940628 /nfs/dbraw/zinc/94/06/28/1069940628.db2.gz RZWYDHQGKHBJRL-PMACEKPBSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001477710978 1069941405 /nfs/dbraw/zinc/94/14/05/1069941405.db2.gz RZWYDHQGKHBJRL-UXHICEINSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477710978 1069941401 /nfs/dbraw/zinc/94/14/01/1069941401.db2.gz RZWYDHQGKHBJRL-UXHICEINSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710978 1069941397 /nfs/dbraw/zinc/94/13/97/1069941397.db2.gz RZWYDHQGKHBJRL-UXHICEINSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001477710979 1069941286 /nfs/dbraw/zinc/94/12/86/1069941286.db2.gz RZWYDHQGKHBJRL-VQTJNVASSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477710979 1069941282 /nfs/dbraw/zinc/94/12/82/1069941282.db2.gz RZWYDHQGKHBJRL-VQTJNVASSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710979 1069941274 /nfs/dbraw/zinc/94/12/74/1069941274.db2.gz RZWYDHQGKHBJRL-VQTJNVASSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001477710980 1069941361 /nfs/dbraw/zinc/94/13/61/1069941361.db2.gz RZWYDHQGKHBJRL-WOJBJXKFSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477710980 1069941360 /nfs/dbraw/zinc/94/13/60/1069941360.db2.gz RZWYDHQGKHBJRL-WOJBJXKFSA-N 2 1 438.617 0.025 20 0 ICADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001477710980 1069941354 /nfs/dbraw/zinc/94/13/54/1069941354.db2.gz RZWYDHQGKHBJRL-WOJBJXKFSA-N 2 1 438.617 0.025 20 0 ICADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001477772408 1069946750 /nfs/dbraw/zinc/94/67/50/1069946750.db2.gz FYXRMIFBHACPMR-UHFFFAOYSA-N 2 1 447.580 0.659 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001477841988 1069954071 /nfs/dbraw/zinc/95/40/71/1069954071.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001477841988 1069954067 /nfs/dbraw/zinc/95/40/67/1069954067.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[NH+]1C ZINC001477841988 1069954066 /nfs/dbraw/zinc/95/40/66/1069954066.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[NH+]1C ZINC001477841988 1069954065 /nfs/dbraw/zinc/95/40/65/1069954065.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001477841988 1069954053 /nfs/dbraw/zinc/95/40/53/1069954053.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001477841988 1069954047 /nfs/dbraw/zinc/95/40/47/1069954047.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCN1C ZINC001477841988 1069954044 /nfs/dbraw/zinc/95/40/44/1069954044.db2.gz SPTODBWSULBIDI-DZFGPLHGSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001477841989 1069954807 /nfs/dbraw/zinc/95/48/07/1069954807.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001477841989 1069954805 /nfs/dbraw/zinc/95/48/05/1069954805.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[NH+]1C ZINC001477841989 1069954800 /nfs/dbraw/zinc/95/48/00/1069954800.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CN(C)CC[NH+]1C ZINC001477841989 1069954793 /nfs/dbraw/zinc/95/47/93/1069954793.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001477841989 1069954779 /nfs/dbraw/zinc/95/47/79/1069954779.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001477841989 1069954773 /nfs/dbraw/zinc/95/47/73/1069954773.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCN1C ZINC001477841989 1069954769 /nfs/dbraw/zinc/95/47/69/1069954769.db2.gz SPTODBWSULBIDI-IOMROCGXSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001477841990 1069954855 /nfs/dbraw/zinc/95/48/55/1069954855.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001477841990 1069954848 /nfs/dbraw/zinc/95/48/48/1069954848.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001477841990 1069954843 /nfs/dbraw/zinc/95/48/43/1069954843.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001477841990 1069954837 /nfs/dbraw/zinc/95/48/37/1069954837.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001477841990 1069954826 /nfs/dbraw/zinc/95/48/26/1069954826.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001477841990 1069954823 /nfs/dbraw/zinc/95/48/23/1069954823.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCN1C ZINC001477841990 1069954820 /nfs/dbraw/zinc/95/48/20/1069954820.db2.gz SPTODBWSULBIDI-WMQCIHAUSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001477841991 1069954712 /nfs/dbraw/zinc/95/47/12/1069954712.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001477841991 1069954708 /nfs/dbraw/zinc/95/47/08/1069954708.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001477841991 1069954701 /nfs/dbraw/zinc/95/47/01/1069954701.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CN(C)CC[NH+]1C ZINC001477841991 1069954693 /nfs/dbraw/zinc/95/46/93/1069954693.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001477841991 1069954679 /nfs/dbraw/zinc/95/46/79/1069954679.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001477841991 1069954671 /nfs/dbraw/zinc/95/46/71/1069954671.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCN1C ZINC001477841991 1069954663 /nfs/dbraw/zinc/95/46/63/1069954663.db2.gz SPTODBWSULBIDI-YYWHXJBOSA-N 2 1 430.597 0.817 20 0 ICADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001477853322 1069955319 /nfs/dbraw/zinc/95/53/19/1069955319.db2.gz AXCWKEDVXVKTIO-LEWJYISDSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001477853322 1069955315 /nfs/dbraw/zinc/95/53/15/1069955315.db2.gz AXCWKEDVXVKTIO-LEWJYISDSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853322 1069955309 /nfs/dbraw/zinc/95/53/09/1069955309.db2.gz AXCWKEDVXVKTIO-LEWJYISDSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853322 1069955304 /nfs/dbraw/zinc/95/53/04/1069955304.db2.gz AXCWKEDVXVKTIO-LEWJYISDSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001477853324 1069955546 /nfs/dbraw/zinc/95/55/46/1069955546.db2.gz AXCWKEDVXVKTIO-NHCUHLMSSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001477853324 1069955538 /nfs/dbraw/zinc/95/55/38/1069955538.db2.gz AXCWKEDVXVKTIO-NHCUHLMSSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853324 1069955535 /nfs/dbraw/zinc/95/55/35/1069955535.db2.gz AXCWKEDVXVKTIO-NHCUHLMSSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853324 1069955529 /nfs/dbraw/zinc/95/55/29/1069955529.db2.gz AXCWKEDVXVKTIO-NHCUHLMSSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001477853327 1069955659 /nfs/dbraw/zinc/95/56/59/1069955659.db2.gz AXCWKEDVXVKTIO-RTWAWAEBSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001477853327 1069955655 /nfs/dbraw/zinc/95/56/55/1069955655.db2.gz AXCWKEDVXVKTIO-RTWAWAEBSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853327 1069955651 /nfs/dbraw/zinc/95/56/51/1069955651.db2.gz AXCWKEDVXVKTIO-RTWAWAEBSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853327 1069955646 /nfs/dbraw/zinc/95/56/46/1069955646.db2.gz AXCWKEDVXVKTIO-RTWAWAEBSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001477853330 1069955594 /nfs/dbraw/zinc/95/55/94/1069955594.db2.gz AXCWKEDVXVKTIO-SFTDATJTSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001477853330 1069955590 /nfs/dbraw/zinc/95/55/90/1069955590.db2.gz AXCWKEDVXVKTIO-SFTDATJTSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853330 1069955584 /nfs/dbraw/zinc/95/55/84/1069955584.db2.gz AXCWKEDVXVKTIO-SFTDATJTSA-N 2 1 431.581 0.975 20 0 ICADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)cc1 ZINC001477853330 1069955580 /nfs/dbraw/zinc/95/55/80/1069955580.db2.gz AXCWKEDVXVKTIO-SFTDATJTSA-N 2 1 431.581 0.975 20 0 ICADMP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001477853348 1069955457 /nfs/dbraw/zinc/95/54/57/1069955457.db2.gz BAFNKAGXLPXNOM-JOCHJYFZSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001477853351 1069955421 /nfs/dbraw/zinc/95/54/21/1069955421.db2.gz BAFNKAGXLPXNOM-QFIPXVFZSA-N 2 1 445.608 0.719 20 0 ICADMP CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956329 /nfs/dbraw/zinc/95/63/29/1069956329.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 2 1 436.645 0.595 20 0 ICADMP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956136 /nfs/dbraw/zinc/95/61/36/1069956136.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 2 1 436.645 0.595 20 0 ICADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477868909 1069957714 /nfs/dbraw/zinc/95/77/14/1069957714.db2.gz OZXREJATBDGQSY-JOCHJYFZSA-N 2 1 444.624 0.903 20 0 ICADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477868910 1069957731 /nfs/dbraw/zinc/95/77/31/1069957731.db2.gz OZXREJATBDGQSY-QFIPXVFZSA-N 2 1 444.624 0.903 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982209 1069965751 /nfs/dbraw/zinc/96/57/51/1069965751.db2.gz DXFGQDOVSFZQNJ-INIZCTEOSA-N 2 1 443.618 0.144 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982209 1069965743 /nfs/dbraw/zinc/96/57/43/1069965743.db2.gz DXFGQDOVSFZQNJ-INIZCTEOSA-N 2 1 443.618 0.144 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001478152049 1069972836 /nfs/dbraw/zinc/97/28/36/1069972836.db2.gz KMLXAANPZRNMMF-ZDUSSCGKSA-N 2 1 431.525 0.872 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001478152049 1069972834 /nfs/dbraw/zinc/97/28/34/1069972834.db2.gz KMLXAANPZRNMMF-ZDUSSCGKSA-N 2 1 431.525 0.872 20 0 ICADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001478437141 1069988242 /nfs/dbraw/zinc/98/82/42/1069988242.db2.gz ORMKXJUSJGAGPK-QNWVGRARSA-N 2 1 432.565 0.802 20 0 ICADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001478437141 1069988236 /nfs/dbraw/zinc/98/82/36/1069988236.db2.gz ORMKXJUSJGAGPK-QNWVGRARSA-N 2 1 432.565 0.802 20 0 ICADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001478437141 1069988231 /nfs/dbraw/zinc/98/82/31/1069988231.db2.gz ORMKXJUSJGAGPK-QNWVGRARSA-N 2 1 432.565 0.802 20 0 ICADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001478437142 1069988378 /nfs/dbraw/zinc/98/83/78/1069988378.db2.gz ORMKXJUSJGAGPK-QZNHQXDQSA-N 2 1 432.565 0.802 20 0 ICADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001478437142 1069988374 /nfs/dbraw/zinc/98/83/74/1069988374.db2.gz ORMKXJUSJGAGPK-QZNHQXDQSA-N 2 1 432.565 0.802 20 0 ICADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001478437142 1069988367 /nfs/dbraw/zinc/98/83/67/1069988367.db2.gz ORMKXJUSJGAGPK-QZNHQXDQSA-N 2 1 432.565 0.802 20 0 ICADMP CC(C)C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)NCC[NH+](C)C ZINC001478788686 1070015780 /nfs/dbraw/zinc/01/57/80/1070015780.db2.gz GXFZPHIQXSFDAW-SFHVURJKSA-N 2 1 427.590 0.260 20 0 ICADMP C[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)(N2CCOCC2)CC1 ZINC001478817505 1070018802 /nfs/dbraw/zinc/01/88/02/1070018802.db2.gz DTYYCCDEFFGLKS-JOCHJYFZSA-N 2 1 445.608 0.849 20 0 ICADMP C[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)(N2CCOCC2)CC1 ZINC001478817506 1070018888 /nfs/dbraw/zinc/01/88/88/1070018888.db2.gz DTYYCCDEFFGLKS-QFIPXVFZSA-N 2 1 445.608 0.849 20 0 ICADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001478840250 1070020274 /nfs/dbraw/zinc/02/02/74/1070020274.db2.gz SAEBESKTGYDXJI-NHCUHLMSSA-N 2 1 431.581 0.939 20 0 ICADMP Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2)cn1C ZINC001478957003 1070035867 /nfs/dbraw/zinc/03/58/67/1070035867.db2.gz KYFLORJYXDXRKG-INIZCTEOSA-N 2 1 443.618 0.016 20 0 ICADMP Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2)cn1C ZINC001478957003 1070035850 /nfs/dbraw/zinc/03/58/50/1070035850.db2.gz KYFLORJYXDXRKG-INIZCTEOSA-N 2 1 443.618 0.016 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001478957661 1070035986 /nfs/dbraw/zinc/03/59/86/1070035986.db2.gz VDGFYQQPVRCUIC-INIZCTEOSA-N 2 1 430.575 0.104 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001478957661 1070035977 /nfs/dbraw/zinc/03/59/77/1070035977.db2.gz VDGFYQQPVRCUIC-INIZCTEOSA-N 2 1 430.575 0.104 20 0 ICADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001478972187 1070037952 /nfs/dbraw/zinc/03/79/52/1070037952.db2.gz ZXHMXRZAFNTZGC-FQEVSTJZSA-N 2 1 428.581 0.980 20 0 ICADMP O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001479187251 1070064252 /nfs/dbraw/zinc/06/42/52/1070064252.db2.gz NKJBKJIGPZZSLZ-JTHBVZDNSA-N 2 1 446.592 0.929 20 0 ICADMP NC(=O)[C@H]1CCC[NH+](Cc2cccc(CNC(=O)NCC[N@H+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392733 1070082671 /nfs/dbraw/zinc/08/26/71/1070082671.db2.gz WKCQFURBAUDYNI-FQEVSTJZSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@H]1CCC[NH+](Cc2cccc(CNC(=O)NCC[N@@H+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392733 1070082657 /nfs/dbraw/zinc/08/26/57/1070082657.db2.gz WKCQFURBAUDYNI-FQEVSTJZSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392733 1070082643 /nfs/dbraw/zinc/08/26/43/1070082643.db2.gz WKCQFURBAUDYNI-FQEVSTJZSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392733 1070082630 /nfs/dbraw/zinc/08/26/30/1070082630.db2.gz WKCQFURBAUDYNI-FQEVSTJZSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@@H]1CCC[NH+](Cc2cccc(CNC(=O)NCC[N@H+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392734 1070082885 /nfs/dbraw/zinc/08/28/85/1070082885.db2.gz WKCQFURBAUDYNI-HXUWFJFHSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@@H]1CCC[NH+](Cc2cccc(CNC(=O)NCC[N@@H+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392734 1070082870 /nfs/dbraw/zinc/08/28/70/1070082870.db2.gz WKCQFURBAUDYNI-HXUWFJFHSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392734 1070082855 /nfs/dbraw/zinc/08/28/55/1070082855.db2.gz WKCQFURBAUDYNI-HXUWFJFHSA-N 2 1 445.564 0.632 20 0 ICADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC4(C3)OCCO4)c2)C1 ZINC001479392734 1070082839 /nfs/dbraw/zinc/08/28/39/1070082839.db2.gz WKCQFURBAUDYNI-HXUWFJFHSA-N 2 1 445.564 0.632 20 0 ICADMP C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2)CC1 ZINC001479605712 1070098389 /nfs/dbraw/zinc/09/83/89/1070098389.db2.gz VPAUOIVLLHDYPX-JTHBVZDNSA-N 2 1 431.581 0.506 20 0 ICADMP C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494310614 1070141552 /nfs/dbraw/zinc/14/15/52/1070141552.db2.gz HJJHRZYJBQUIDK-HKUYNNGSSA-N 2 1 432.573 0.414 20 0 ICADMP C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494310615 1070141415 /nfs/dbraw/zinc/14/14/15/1070141415.db2.gz HJJHRZYJBQUIDK-IEBWSBKVSA-N 2 1 432.573 0.414 20 0 ICADMP C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001494310616 1070141319 /nfs/dbraw/zinc/14/13/19/1070141319.db2.gz HJJHRZYJBQUIDK-MJGOQNOKSA-N 2 1 432.573 0.414 20 0 ICADMP C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494310617 1070141503 /nfs/dbraw/zinc/14/15/03/1070141503.db2.gz HJJHRZYJBQUIDK-PKOBYXMFSA-N 2 1 432.573 0.414 20 0 ICADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498949374 1070255966 /nfs/dbraw/zinc/25/59/66/1070255966.db2.gz JAJRTTFCQJPSEL-PMACEKPBSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498949374 1070255953 /nfs/dbraw/zinc/25/59/53/1070255953.db2.gz JAJRTTFCQJPSEL-PMACEKPBSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498949375 1070255635 /nfs/dbraw/zinc/25/56/35/1070255635.db2.gz JAJRTTFCQJPSEL-UXHICEINSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001498949375 1070255620 /nfs/dbraw/zinc/25/56/20/1070255620.db2.gz JAJRTTFCQJPSEL-UXHICEINSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498949376 1070255432 /nfs/dbraw/zinc/25/54/32/1070255432.db2.gz JAJRTTFCQJPSEL-VQTJNVASSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498949376 1070255418 /nfs/dbraw/zinc/25/54/18/1070255418.db2.gz JAJRTTFCQJPSEL-VQTJNVASSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498949377 1070255792 /nfs/dbraw/zinc/25/57/92/1070255792.db2.gz JAJRTTFCQJPSEL-WOJBJXKFSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001498949377 1070255785 /nfs/dbraw/zinc/25/57/85/1070255785.db2.gz JAJRTTFCQJPSEL-WOJBJXKFSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001499181118 1070267998 /nfs/dbraw/zinc/26/79/98/1070267998.db2.gz OWVPRFXDNFBTKJ-AUSIDOKSSA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001499181118 1070267988 /nfs/dbraw/zinc/26/79/88/1070267988.db2.gz OWVPRFXDNFBTKJ-AUSIDOKSSA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001499181119 1070267779 /nfs/dbraw/zinc/26/77/79/1070267779.db2.gz OWVPRFXDNFBTKJ-CVDCTZTESA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001499181119 1070267765 /nfs/dbraw/zinc/26/77/65/1070267765.db2.gz OWVPRFXDNFBTKJ-CVDCTZTESA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001499181120 1070267942 /nfs/dbraw/zinc/26/79/42/1070267942.db2.gz OWVPRFXDNFBTKJ-WMZHIEFXSA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001499181120 1070267929 /nfs/dbraw/zinc/26/79/29/1070267929.db2.gz OWVPRFXDNFBTKJ-WMZHIEFXSA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001499181121 1070267726 /nfs/dbraw/zinc/26/77/26/1070267726.db2.gz OWVPRFXDNFBTKJ-XXBNENTESA-N 2 1 444.580 0.469 20 0 ICADMP CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001499181121 1070267710 /nfs/dbraw/zinc/26/77/10/1070267710.db2.gz OWVPRFXDNFBTKJ-XXBNENTESA-N 2 1 444.580 0.469 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001499720065 1070291458 /nfs/dbraw/zinc/29/14/58/1070291458.db2.gz TTZYJSRWHKTMKM-AZUAARDMSA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001499720065 1070291442 /nfs/dbraw/zinc/29/14/42/1070291442.db2.gz TTZYJSRWHKTMKM-AZUAARDMSA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001499720066 1070291269 /nfs/dbraw/zinc/29/12/69/1070291269.db2.gz TTZYJSRWHKTMKM-ICSRJNTNSA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001499720066 1070291254 /nfs/dbraw/zinc/29/12/54/1070291254.db2.gz TTZYJSRWHKTMKM-ICSRJNTNSA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001499720067 1070291871 /nfs/dbraw/zinc/29/18/71/1070291871.db2.gz TTZYJSRWHKTMKM-QUCCMNQESA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001499720067 1070291864 /nfs/dbraw/zinc/29/18/64/1070291864.db2.gz TTZYJSRWHKTMKM-QUCCMNQESA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001499720068 1070292625 /nfs/dbraw/zinc/29/26/25/1070292625.db2.gz TTZYJSRWHKTMKM-UYAOXDASSA-N 2 1 444.584 0.860 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001499720068 1070292609 /nfs/dbraw/zinc/29/26/09/1070292609.db2.gz TTZYJSRWHKTMKM-UYAOXDASSA-N 2 1 444.584 0.860 20 0 ICADMP CCCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001500407829 1070311599 /nfs/dbraw/zinc/31/15/99/1070311599.db2.gz WSAOMPOWXYPSNM-DLBZAZTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001500407829 1070311578 /nfs/dbraw/zinc/31/15/78/1070311578.db2.gz WSAOMPOWXYPSNM-DLBZAZTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001500407829 1070311559 /nfs/dbraw/zinc/31/15/59/1070311559.db2.gz WSAOMPOWXYPSNM-DLBZAZTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001500407829 1070311542 /nfs/dbraw/zinc/31/15/42/1070311542.db2.gz WSAOMPOWXYPSNM-DLBZAZTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001500407830 1070311445 /nfs/dbraw/zinc/31/14/45/1070311445.db2.gz WSAOMPOWXYPSNM-IAGOWNOFSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001500407830 1070311426 /nfs/dbraw/zinc/31/14/26/1070311426.db2.gz WSAOMPOWXYPSNM-IAGOWNOFSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001500407830 1070311410 /nfs/dbraw/zinc/31/14/10/1070311410.db2.gz WSAOMPOWXYPSNM-IAGOWNOFSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001500407830 1070311389 /nfs/dbraw/zinc/31/13/89/1070311389.db2.gz WSAOMPOWXYPSNM-IAGOWNOFSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001500407831 1070311909 /nfs/dbraw/zinc/31/19/09/1070311909.db2.gz WSAOMPOWXYPSNM-IRXDYDNUSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001500407831 1070311888 /nfs/dbraw/zinc/31/18/88/1070311888.db2.gz WSAOMPOWXYPSNM-IRXDYDNUSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001500407831 1070311867 /nfs/dbraw/zinc/31/18/67/1070311867.db2.gz WSAOMPOWXYPSNM-IRXDYDNUSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001500407831 1070311848 /nfs/dbraw/zinc/31/18/48/1070311848.db2.gz WSAOMPOWXYPSNM-IRXDYDNUSA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001500407832 1070312787 /nfs/dbraw/zinc/31/27/87/1070312787.db2.gz WSAOMPOWXYPSNM-SJORKVTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001500407832 1070312766 /nfs/dbraw/zinc/31/27/66/1070312766.db2.gz WSAOMPOWXYPSNM-SJORKVTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001500407832 1070312747 /nfs/dbraw/zinc/31/27/47/1070312747.db2.gz WSAOMPOWXYPSNM-SJORKVTESA-N 2 1 443.618 0.141 20 0 ICADMP CCCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001500407832 1070312728 /nfs/dbraw/zinc/31/27/28/1070312728.db2.gz WSAOMPOWXYPSNM-SJORKVTESA-N 2 1 443.618 0.141 20 0 ICADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001501770024 1070363950 /nfs/dbraw/zinc/36/39/50/1070363950.db2.gz NCKBMVFKJBZMHW-FQEVSTJZSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001501770024 1070363933 /nfs/dbraw/zinc/36/39/33/1070363933.db2.gz NCKBMVFKJBZMHW-FQEVSTJZSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2C[C@@H]2CCC[NH+]2CCCO)CC1 ZINC001501770024 1070363910 /nfs/dbraw/zinc/36/39/10/1070363910.db2.gz NCKBMVFKJBZMHW-FQEVSTJZSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2C[C@@H]2CCC[NH+]2CCCO)CC1 ZINC001501770024 1070363893 /nfs/dbraw/zinc/36/38/93/1070363893.db2.gz NCKBMVFKJBZMHW-FQEVSTJZSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001501770025 1070364475 /nfs/dbraw/zinc/36/44/75/1070364475.db2.gz NCKBMVFKJBZMHW-HXUWFJFHSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001501770025 1070364455 /nfs/dbraw/zinc/36/44/55/1070364455.db2.gz NCKBMVFKJBZMHW-HXUWFJFHSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2C[C@H]2CCC[NH+]2CCCO)CC1 ZINC001501770025 1070364435 /nfs/dbraw/zinc/36/44/35/1070364435.db2.gz NCKBMVFKJBZMHW-HXUWFJFHSA-N 2 1 435.617 0.814 20 0 ICADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2C[C@H]2CCC[NH+]2CCCO)CC1 ZINC001501770025 1070364416 /nfs/dbraw/zinc/36/44/16/1070364416.db2.gz NCKBMVFKJBZMHW-HXUWFJFHSA-N 2 1 435.617 0.814 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501904043 1070371959 /nfs/dbraw/zinc/37/19/59/1070371959.db2.gz SFMNKMWRHUTQET-JOCHJYFZSA-N 2 1 444.584 0.330 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501904044 1070371684 /nfs/dbraw/zinc/37/16/84/1070371684.db2.gz SFMNKMWRHUTQET-QFIPXVFZSA-N 2 1 444.584 0.330 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501906324 1070371814 /nfs/dbraw/zinc/37/18/14/1070371814.db2.gz AHTHNOMRWAGMIY-JOCHJYFZSA-N 2 1 435.617 0.534 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501906325 1070372244 /nfs/dbraw/zinc/37/22/44/1070372244.db2.gz AHTHNOMRWAGMIY-QFIPXVFZSA-N 2 1 435.617 0.534 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001501906556 1070371504 /nfs/dbraw/zinc/37/15/04/1070371504.db2.gz IDFLIFNWAMEDIR-GOSISDBHSA-N 2 1 448.616 0.560 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001501906557 1070372117 /nfs/dbraw/zinc/37/21/17/1070372117.db2.gz IDFLIFNWAMEDIR-SFHVURJKSA-N 2 1 448.616 0.560 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001502254743 1070399272 /nfs/dbraw/zinc/39/92/72/1070399272.db2.gz BMBDHZOYIBLFLQ-AOIWGVFYSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001502254744 1070399177 /nfs/dbraw/zinc/39/91/77/1070399177.db2.gz BMBDHZOYIBLFLQ-JENIJYKNSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001502254745 1070398802 /nfs/dbraw/zinc/39/88/02/1070398802.db2.gz BMBDHZOYIBLFLQ-LNLFQRSKSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001502254746 1070398608 /nfs/dbraw/zinc/39/86/08/1070398608.db2.gz BMBDHZOYIBLFLQ-ZIFCJYIRSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001502278414 1070403621 /nfs/dbraw/zinc/40/36/21/1070403621.db2.gz CBXZYCUTKPMVGP-MOPGFXCFSA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001502278414 1070403620 /nfs/dbraw/zinc/40/36/20/1070403620.db2.gz CBXZYCUTKPMVGP-MOPGFXCFSA-N 2 1 433.601 0.899 20 0 ICADMP CC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001502278414 1070403617 /nfs/dbraw/zinc/40/36/17/1070403617.db2.gz CBXZYCUTKPMVGP-MOPGFXCFSA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001502278415 1070403396 /nfs/dbraw/zinc/40/33/96/1070403396.db2.gz CBXZYCUTKPMVGP-OALUTQOASA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001502278415 1070403388 /nfs/dbraw/zinc/40/33/88/1070403388.db2.gz CBXZYCUTKPMVGP-OALUTQOASA-N 2 1 433.601 0.899 20 0 ICADMP CC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001502278415 1070403381 /nfs/dbraw/zinc/40/33/81/1070403381.db2.gz CBXZYCUTKPMVGP-OALUTQOASA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001502278416 1070403544 /nfs/dbraw/zinc/40/35/44/1070403544.db2.gz CBXZYCUTKPMVGP-RBUKOAKNSA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001502278416 1070403540 /nfs/dbraw/zinc/40/35/40/1070403540.db2.gz CBXZYCUTKPMVGP-RBUKOAKNSA-N 2 1 433.601 0.899 20 0 ICADMP CC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001502278416 1070403535 /nfs/dbraw/zinc/40/35/35/1070403535.db2.gz CBXZYCUTKPMVGP-RBUKOAKNSA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001502278417 1070403651 /nfs/dbraw/zinc/40/36/51/1070403651.db2.gz CBXZYCUTKPMVGP-RTBURBONSA-N 2 1 433.601 0.899 20 0 ICADMP CC[NH+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001502278417 1070403649 /nfs/dbraw/zinc/40/36/49/1070403649.db2.gz CBXZYCUTKPMVGP-RTBURBONSA-N 2 1 433.601 0.899 20 0 ICADMP CC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001502278417 1070403645 /nfs/dbraw/zinc/40/36/45/1070403645.db2.gz CBXZYCUTKPMVGP-RTBURBONSA-N 2 1 433.601 0.899 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001502319681 1070420940 /nfs/dbraw/zinc/42/09/40/1070420940.db2.gz TUIJCEAVDOYRLO-CVEARBPZSA-N 2 1 445.659 0.468 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001502319682 1070420988 /nfs/dbraw/zinc/42/09/88/1070420988.db2.gz TUIJCEAVDOYRLO-HOTGVXAUSA-N 2 1 445.659 0.468 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001502319683 1070421379 /nfs/dbraw/zinc/42/13/79/1070421379.db2.gz TUIJCEAVDOYRLO-HZPDHXFCSA-N 2 1 445.659 0.468 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001502319684 1070421343 /nfs/dbraw/zinc/42/13/43/1070421343.db2.gz TUIJCEAVDOYRLO-JKSUJKDBSA-N 2 1 445.659 0.468 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001502319721 1070421172 /nfs/dbraw/zinc/42/11/72/1070421172.db2.gz UFKRMISSHITHEE-DLBZAZTESA-N 2 1 427.619 0.905 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001502319722 1070421302 /nfs/dbraw/zinc/42/13/02/1070421302.db2.gz UFKRMISSHITHEE-IAGOWNOFSA-N 2 1 427.619 0.905 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001502319723 1070421060 /nfs/dbraw/zinc/42/10/60/1070421060.db2.gz UFKRMISSHITHEE-IRXDYDNUSA-N 2 1 427.619 0.905 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001502319724 1070421029 /nfs/dbraw/zinc/42/10/29/1070421029.db2.gz UFKRMISSHITHEE-SJORKVTESA-N 2 1 427.619 0.905 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001502325365 1070421886 /nfs/dbraw/zinc/42/18/86/1070421886.db2.gz FQTBSLUMOBRXNM-MSOLQXFVSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001502325366 1070422064 /nfs/dbraw/zinc/42/20/64/1070422064.db2.gz FQTBSLUMOBRXNM-QZTJIDSGSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001502325367 1070422325 /nfs/dbraw/zinc/42/23/25/1070422325.db2.gz FQTBSLUMOBRXNM-ROUUACIJSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001502325368 1070422036 /nfs/dbraw/zinc/42/20/36/1070422036.db2.gz FQTBSLUMOBRXNM-ZWKOTPCHSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334202 1070424950 /nfs/dbraw/zinc/42/49/50/1070424950.db2.gz BXDZCPFGPNJGKY-MOPGFXCFSA-N 2 1 448.616 0.024 20 0 ICADMP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334203 1070424884 /nfs/dbraw/zinc/42/48/84/1070424884.db2.gz BXDZCPFGPNJGKY-OALUTQOASA-N 2 1 448.616 0.024 20 0 ICADMP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334204 1070425945 /nfs/dbraw/zinc/42/59/45/1070425945.db2.gz BXDZCPFGPNJGKY-RBUKOAKNSA-N 2 1 448.616 0.024 20 0 ICADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334205 1070426062 /nfs/dbraw/zinc/42/60/62/1070426062.db2.gz BXDZCPFGPNJGKY-RTBURBONSA-N 2 1 448.616 0.024 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335764 1070426871 /nfs/dbraw/zinc/42/68/71/1070426871.db2.gz QJRZRYZMMWHVBT-PMACEKPBSA-N 2 1 435.617 0.576 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335765 1070427017 /nfs/dbraw/zinc/42/70/17/1070427017.db2.gz QJRZRYZMMWHVBT-UXHICEINSA-N 2 1 435.617 0.576 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335766 1070426937 /nfs/dbraw/zinc/42/69/37/1070426937.db2.gz QJRZRYZMMWHVBT-VQTJNVASSA-N 2 1 435.617 0.576 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335767 1070426689 /nfs/dbraw/zinc/42/66/89/1070426689.db2.gz QJRZRYZMMWHVBT-WOJBJXKFSA-N 2 1 435.617 0.576 20 0 ICADMP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502337622 1070426727 /nfs/dbraw/zinc/42/67/27/1070426727.db2.gz LJZNTBOTJLZQEN-VQTJNVASSA-N 2 1 435.617 0.924 20 0 ICADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502337623 1070427750 /nfs/dbraw/zinc/42/77/50/1070427750.db2.gz LJZNTBOTJLZQEN-WOJBJXKFSA-N 2 1 435.617 0.924 20 0 ICADMP CCN1CC[NH+](CCCn2c(C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001502354830 1070430694 /nfs/dbraw/zinc/43/06/94/1070430694.db2.gz OJQDQOVHYWXJSS-UHFFFAOYSA-N 2 1 432.617 0.359 20 0 ICADMP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503112624 1070540687 /nfs/dbraw/zinc/54/06/87/1070540687.db2.gz KSMCASDWEIAHLQ-FQEVSTJZSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503112626 1070541076 /nfs/dbraw/zinc/54/10/76/1070541076.db2.gz KSMCASDWEIAHLQ-HXUWFJFHSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001503114888 1070541630 /nfs/dbraw/zinc/54/16/30/1070541630.db2.gz AHWWJLHEUYNERI-PMACEKPBSA-N 2 1 436.601 0.941 20 0 ICADMP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001503114889 1070541469 /nfs/dbraw/zinc/54/14/69/1070541469.db2.gz AHWWJLHEUYNERI-UXHICEINSA-N 2 1 436.601 0.941 20 0 ICADMP Cn1cc(C[N@H+]2CCCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)cn1 ZINC001503405678 1070638331 /nfs/dbraw/zinc/63/83/31/1070638331.db2.gz ZFSNKIUGRGFNFK-FQEVSTJZSA-N 2 1 446.600 0.806 20 0 ICADMP Cn1cc(C[N@H+]2CCCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)cn1 ZINC001503405680 1070638222 /nfs/dbraw/zinc/63/82/22/1070638222.db2.gz ZFSNKIUGRGFNFK-HXUWFJFHSA-N 2 1 446.600 0.806 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503677496 1070713921 /nfs/dbraw/zinc/71/39/21/1070713921.db2.gz APGOHJDLETYNEM-HTAPYJJXSA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503677496 1070713908 /nfs/dbraw/zinc/71/39/08/1070713908.db2.gz APGOHJDLETYNEM-HTAPYJJXSA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503677497 1070713647 /nfs/dbraw/zinc/71/36/47/1070713647.db2.gz APGOHJDLETYNEM-JTSKRJEESA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503677497 1070713632 /nfs/dbraw/zinc/71/36/32/1070713632.db2.gz APGOHJDLETYNEM-JTSKRJEESA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503677498 1070713839 /nfs/dbraw/zinc/71/38/39/1070713839.db2.gz APGOHJDLETYNEM-VGOFRKELSA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503677498 1070713831 /nfs/dbraw/zinc/71/38/31/1070713831.db2.gz APGOHJDLETYNEM-VGOFRKELSA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503677499 1070713389 /nfs/dbraw/zinc/71/33/89/1070713389.db2.gz APGOHJDLETYNEM-VGSWGCGISA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503677499 1070713373 /nfs/dbraw/zinc/71/33/73/1070713373.db2.gz APGOHJDLETYNEM-VGSWGCGISA-N 2 1 449.600 0.090 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503678060 1070714716 /nfs/dbraw/zinc/71/47/16/1070714716.db2.gz KJJCVDCAAANSTO-JOCHJYFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503678060 1070714703 /nfs/dbraw/zinc/71/47/03/1070714703.db2.gz KJJCVDCAAANSTO-JOCHJYFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001503678060 1070714691 /nfs/dbraw/zinc/71/46/91/1070714691.db2.gz KJJCVDCAAANSTO-JOCHJYFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001503678060 1070714681 /nfs/dbraw/zinc/71/46/81/1070714681.db2.gz KJJCVDCAAANSTO-JOCHJYFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503678062 1070714587 /nfs/dbraw/zinc/71/45/87/1070714587.db2.gz KJJCVDCAAANSTO-QFIPXVFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503678062 1070714573 /nfs/dbraw/zinc/71/45/73/1070714573.db2.gz KJJCVDCAAANSTO-QFIPXVFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001503678062 1070714552 /nfs/dbraw/zinc/71/45/52/1070714552.db2.gz KJJCVDCAAANSTO-QFIPXVFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001503678062 1070714530 /nfs/dbraw/zinc/71/45/30/1070714530.db2.gz KJJCVDCAAANSTO-QFIPXVFZSA-N 2 1 449.600 0.128 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503684764 1070720573 /nfs/dbraw/zinc/72/05/73/1070720573.db2.gz KLTKTNGJNRYOOH-GCJKJVERSA-N 2 1 436.601 0.991 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503684764 1070720559 /nfs/dbraw/zinc/72/05/59/1070720559.db2.gz KLTKTNGJNRYOOH-GCJKJVERSA-N 2 1 436.601 0.991 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503684765 1070720873 /nfs/dbraw/zinc/72/08/73/1070720873.db2.gz KLTKTNGJNRYOOH-XMSQKQJNSA-N 2 1 436.601 0.991 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503684765 1070720859 /nfs/dbraw/zinc/72/08/59/1070720859.db2.gz KLTKTNGJNRYOOH-XMSQKQJNSA-N 2 1 436.601 0.991 20 0 ICADMP COc1cccc(OCC[NH+]2CCN(c3nnc(C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC001518415738 1070917594 /nfs/dbraw/zinc/91/75/94/1070917594.db2.gz ZOMDJTRPALZKTC-JOCHJYFZSA-N 2 1 430.553 0.863 20 0 ICADMP COc1cccc(OCC[NH+]2CCN(c3nnc(C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC001518415738 1070917590 /nfs/dbraw/zinc/91/75/90/1070917590.db2.gz ZOMDJTRPALZKTC-JOCHJYFZSA-N 2 1 430.553 0.863 20 0 ICADMP COc1cccc(OCC[NH+]2CCN(c3nnc(C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC001518415749 1070917504 /nfs/dbraw/zinc/91/75/04/1070917504.db2.gz ZOMDJTRPALZKTC-QFIPXVFZSA-N 2 1 430.553 0.863 20 0 ICADMP COc1cccc(OCC[NH+]2CCN(c3nnc(C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC001518415749 1070917499 /nfs/dbraw/zinc/91/74/99/1070917499.db2.gz ZOMDJTRPALZKTC-QFIPXVFZSA-N 2 1 430.553 0.863 20 0 ICADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001519063101 1070998619 /nfs/dbraw/zinc/99/86/19/1070998619.db2.gz VCNAABDHWAASIS-AQNXPRMDSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001519063101 1070998615 /nfs/dbraw/zinc/99/86/15/1070998615.db2.gz VCNAABDHWAASIS-AQNXPRMDSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001519063103 1070998767 /nfs/dbraw/zinc/99/87/67/1070998767.db2.gz VCNAABDHWAASIS-VAMGGRTRSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001519063103 1070998763 /nfs/dbraw/zinc/99/87/63/1070998763.db2.gz VCNAABDHWAASIS-VAMGGRTRSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001519063106 1070998588 /nfs/dbraw/zinc/99/85/88/1070998588.db2.gz VCNAABDHWAASIS-XUVXKRRUSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001519063106 1070998580 /nfs/dbraw/zinc/99/85/80/1070998580.db2.gz VCNAABDHWAASIS-XUVXKRRUSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001519063108 1070999382 /nfs/dbraw/zinc/99/93/82/1070999382.db2.gz VCNAABDHWAASIS-ZCNNSNEGSA-N 2 1 436.601 0.907 20 0 ICADMP COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001519063108 1070999376 /nfs/dbraw/zinc/99/93/76/1070999376.db2.gz VCNAABDHWAASIS-ZCNNSNEGSA-N 2 1 436.601 0.907 20 0 ICADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001519113799 1071007537 /nfs/dbraw/zinc/00/75/37/1071007537.db2.gz GNQSZGWUIFAMOC-GOSISDBHSA-N 2 1 432.573 0.415 20 0 ICADMP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001519113799 1071007518 /nfs/dbraw/zinc/00/75/18/1071007518.db2.gz GNQSZGWUIFAMOC-GOSISDBHSA-N 2 1 432.573 0.415 20 0 ICADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001519113801 1071006972 /nfs/dbraw/zinc/00/69/72/1071006972.db2.gz GNQSZGWUIFAMOC-SFHVURJKSA-N 2 1 432.573 0.415 20 0 ICADMP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001519113801 1071006953 /nfs/dbraw/zinc/00/69/53/1071006953.db2.gz GNQSZGWUIFAMOC-SFHVURJKSA-N 2 1 432.573 0.415 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519114077 1071006381 /nfs/dbraw/zinc/00/63/81/1071006381.db2.gz DLAQOONSTHBTGS-UXHICEINSA-N 2 1 436.601 0.909 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519114091 1071007337 /nfs/dbraw/zinc/00/73/37/1071007337.db2.gz DLAQOONSTHBTGS-WOJBJXKFSA-N 2 1 436.601 0.909 20 0 ICADMP COCC[NH+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001519114158 1071006607 /nfs/dbraw/zinc/00/66/07/1071006607.db2.gz ZHYUIRVEODXWLQ-FQEVSTJZSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[NH+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001519114158 1071006582 /nfs/dbraw/zinc/00/65/82/1071006582.db2.gz ZHYUIRVEODXWLQ-FQEVSTJZSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[N@@H+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001519114158 1071006561 /nfs/dbraw/zinc/00/65/61/1071006561.db2.gz ZHYUIRVEODXWLQ-FQEVSTJZSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[N@H+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001519114158 1071006545 /nfs/dbraw/zinc/00/65/45/1071006545.db2.gz ZHYUIRVEODXWLQ-FQEVSTJZSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[NH+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001519114173 1071006723 /nfs/dbraw/zinc/00/67/23/1071006723.db2.gz ZHYUIRVEODXWLQ-HXUWFJFHSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[NH+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001519114173 1071006704 /nfs/dbraw/zinc/00/67/04/1071006704.db2.gz ZHYUIRVEODXWLQ-HXUWFJFHSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[N@@H+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001519114173 1071006682 /nfs/dbraw/zinc/00/66/82/1071006682.db2.gz ZHYUIRVEODXWLQ-HXUWFJFHSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[N@H+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001519114173 1071006664 /nfs/dbraw/zinc/00/66/64/1071006664.db2.gz ZHYUIRVEODXWLQ-HXUWFJFHSA-N 2 1 446.600 0.629 20 0 ICADMP COCC[NH+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001519115936 1071008727 /nfs/dbraw/zinc/00/87/27/1071008727.db2.gz KRHOQQIEUKWAPV-IBGZPJMESA-N 2 1 433.601 0.867 20 0 ICADMP COCC[NH+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001519115936 1071008712 /nfs/dbraw/zinc/00/87/12/1071008712.db2.gz KRHOQQIEUKWAPV-IBGZPJMESA-N 2 1 433.601 0.867 20 0 ICADMP COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001519115936 1071008694 /nfs/dbraw/zinc/00/86/94/1071008694.db2.gz KRHOQQIEUKWAPV-IBGZPJMESA-N 2 1 433.601 0.867 20 0 ICADMP COCC[NH+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001519115937 1071007967 /nfs/dbraw/zinc/00/79/67/1071007967.db2.gz KRHOQQIEUKWAPV-LJQANCHMSA-N 2 1 433.601 0.867 20 0 ICADMP COCC[NH+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001519115937 1071007947 /nfs/dbraw/zinc/00/79/47/1071007947.db2.gz KRHOQQIEUKWAPV-LJQANCHMSA-N 2 1 433.601 0.867 20 0 ICADMP COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001519115937 1071007933 /nfs/dbraw/zinc/00/79/33/1071007933.db2.gz KRHOQQIEUKWAPV-LJQANCHMSA-N 2 1 433.601 0.867 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001519116043 1071008225 /nfs/dbraw/zinc/00/82/25/1071008225.db2.gz MOCUJIBLBUJQQS-IBGZPJMESA-N 2 1 449.600 0.356 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001519116044 1071008032 /nfs/dbraw/zinc/00/80/32/1071008032.db2.gz MOCUJIBLBUJQQS-LJQANCHMSA-N 2 1 449.600 0.356 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519116086 1071008142 /nfs/dbraw/zinc/00/81/42/1071008142.db2.gz NDZOOPXEFJKNOF-GOSISDBHSA-N 2 1 435.573 0.108 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519116088 1071007692 /nfs/dbraw/zinc/00/76/92/1071007692.db2.gz NDZOOPXEFJKNOF-SFHVURJKSA-N 2 1 435.573 0.108 20 0 ICADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519116235 1071009091 /nfs/dbraw/zinc/00/90/91/1071009091.db2.gz ONAPHPFCKHVPGN-LJQANCHMSA-N 2 1 446.600 0.805 20 0 ICADMP COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519117840 1071010931 /nfs/dbraw/zinc/01/09/31/1071010931.db2.gz PEIJMDCBVVUCQT-UHFFFAOYSA-N 2 1 449.600 0.393 20 0 ICADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001519192853 1071020901 /nfs/dbraw/zinc/02/09/01/1071020901.db2.gz FPGZNTCUTVVYDZ-IBGZPJMESA-N 2 1 449.600 0.129 20 0 ICADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001519192853 1071020881 /nfs/dbraw/zinc/02/08/81/1071020881.db2.gz FPGZNTCUTVVYDZ-IBGZPJMESA-N 2 1 449.600 0.129 20 0 ICADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001519192854 1071020665 /nfs/dbraw/zinc/02/06/65/1071020665.db2.gz FPGZNTCUTVVYDZ-LJQANCHMSA-N 2 1 449.600 0.129 20 0 ICADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001519192854 1071020647 /nfs/dbraw/zinc/02/06/47/1071020647.db2.gz FPGZNTCUTVVYDZ-LJQANCHMSA-N 2 1 449.600 0.129 20 0 ICADMP COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001519197100 1071024497 /nfs/dbraw/zinc/02/44/97/1071024497.db2.gz OQZKAEAWSXMVSM-UHFFFAOYSA-N 2 1 449.600 0.393 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001519206962 1071027647 /nfs/dbraw/zinc/02/76/47/1071027647.db2.gz FMSOKQRDVRWEDZ-FQEVSTJZSA-N 2 1 446.600 0.804 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001519206962 1071027636 /nfs/dbraw/zinc/02/76/36/1071027636.db2.gz FMSOKQRDVRWEDZ-FQEVSTJZSA-N 2 1 446.600 0.804 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001519206964 1071027910 /nfs/dbraw/zinc/02/79/10/1071027910.db2.gz FMSOKQRDVRWEDZ-HXUWFJFHSA-N 2 1 446.600 0.804 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001519206964 1071027900 /nfs/dbraw/zinc/02/79/00/1071027900.db2.gz FMSOKQRDVRWEDZ-HXUWFJFHSA-N 2 1 446.600 0.804 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001519209369 1071028495 /nfs/dbraw/zinc/02/84/95/1071028495.db2.gz OBUJCHNNMQDIGI-UHFFFAOYSA-N 2 1 430.557 0.350 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001519209389 1071028543 /nfs/dbraw/zinc/02/85/43/1071028543.db2.gz OITNBELCDZYZOE-KDURUIRLSA-N 2 1 446.600 0.946 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001519209389 1071028536 /nfs/dbraw/zinc/02/85/36/1071028536.db2.gz OITNBELCDZYZOE-KDURUIRLSA-N 2 1 446.600 0.946 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001519209390 1071028515 /nfs/dbraw/zinc/02/85/15/1071028515.db2.gz OITNBELCDZYZOE-OALUTQOASA-N 2 1 446.600 0.946 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001519209392 1071028391 /nfs/dbraw/zinc/02/83/91/1071028391.db2.gz OITNBELCDZYZOE-RTBURBONSA-N 2 1 446.600 0.946 20 0 ICADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001519223859 1071037701 /nfs/dbraw/zinc/03/77/01/1071037701.db2.gz WCDYHCXWHQIJEP-INIZCTEOSA-N 2 1 435.598 0.988 20 0 ICADMP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001519223860 1071037546 /nfs/dbraw/zinc/03/75/46/1071037546.db2.gz WCDYHCXWHQIJEP-MRXNPFEDSA-N 2 1 435.598 0.988 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001519440718 1071081800 /nfs/dbraw/zinc/08/18/00/1071081800.db2.gz DOULKRDWGJLDPS-CNNODRBYSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001519440718 1071081791 /nfs/dbraw/zinc/08/17/91/1071081791.db2.gz DOULKRDWGJLDPS-CNNODRBYSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519440718 1071081781 /nfs/dbraw/zinc/08/17/81/1071081781.db2.gz DOULKRDWGJLDPS-CNNODRBYSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001519440722 1071081863 /nfs/dbraw/zinc/08/18/63/1071081863.db2.gz DOULKRDWGJLDPS-IPJJNNNSSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001519440722 1071081856 /nfs/dbraw/zinc/08/18/56/1071081856.db2.gz DOULKRDWGJLDPS-IPJJNNNSSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519440722 1071081849 /nfs/dbraw/zinc/08/18/49/1071081849.db2.gz DOULKRDWGJLDPS-IPJJNNNSSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519445101 1071083233 /nfs/dbraw/zinc/08/32/33/1071083233.db2.gz HAMGCSZNOZJTJW-NPPFBWRTSA-N 2 1 436.601 0.989 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519445104 1071083125 /nfs/dbraw/zinc/08/31/25/1071083125.db2.gz HAMGCSZNOZJTJW-SPEDKVCISA-N 2 1 436.601 0.989 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001520825231 1071169465 /nfs/dbraw/zinc/16/94/65/1071169465.db2.gz DUMDPPNNZFDIEM-KGVIQGDOSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001520825231 1071169460 /nfs/dbraw/zinc/16/94/60/1071169460.db2.gz DUMDPPNNZFDIEM-KGVIQGDOSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520825231 1071169455 /nfs/dbraw/zinc/16/94/55/1071169455.db2.gz DUMDPPNNZFDIEM-KGVIQGDOSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520825231 1071169448 /nfs/dbraw/zinc/16/94/48/1071169448.db2.gz DUMDPPNNZFDIEM-KGVIQGDOSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001520825234 1071169298 /nfs/dbraw/zinc/16/92/98/1071169298.db2.gz DUMDPPNNZFDIEM-SVMVAKDDSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001520825234 1071169289 /nfs/dbraw/zinc/16/92/89/1071169289.db2.gz DUMDPPNNZFDIEM-SVMVAKDDSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520825234 1071169286 /nfs/dbraw/zinc/16/92/86/1071169286.db2.gz DUMDPPNNZFDIEM-SVMVAKDDSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520825234 1071169280 /nfs/dbraw/zinc/16/92/80/1071169280.db2.gz DUMDPPNNZFDIEM-SVMVAKDDSA-N 2 1 431.585 0.896 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001520839576 1071170126 /nfs/dbraw/zinc/17/01/26/1071170126.db2.gz PLLQKGFETUVREM-SELNLUPBSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001520839576 1071170120 /nfs/dbraw/zinc/17/01/20/1071170120.db2.gz PLLQKGFETUVREM-SELNLUPBSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520839576 1071170113 /nfs/dbraw/zinc/17/01/13/1071170113.db2.gz PLLQKGFETUVREM-SELNLUPBSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520839576 1071170107 /nfs/dbraw/zinc/17/01/07/1071170107.db2.gz PLLQKGFETUVREM-SELNLUPBSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001520839578 1071170251 /nfs/dbraw/zinc/17/02/51/1071170251.db2.gz PLLQKGFETUVREM-YYDVJCTNSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001520839578 1071170242 /nfs/dbraw/zinc/17/02/42/1071170242.db2.gz PLLQKGFETUVREM-YYDVJCTNSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520839578 1071170237 /nfs/dbraw/zinc/17/02/37/1071170237.db2.gz PLLQKGFETUVREM-YYDVJCTNSA-N 2 1 443.596 0.876 20 0 ICADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC001520839578 1071170227 /nfs/dbraw/zinc/17/02/27/1071170227.db2.gz PLLQKGFETUVREM-YYDVJCTNSA-N 2 1 443.596 0.876 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)CC1 ZINC001540414201 1071638632 /nfs/dbraw/zinc/63/86/32/1071638632.db2.gz JCUPVQLSSPZNMS-FQEVSTJZSA-N 2 1 426.627 0.514 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)CC1 ZINC001540414202 1071638573 /nfs/dbraw/zinc/63/85/73/1071638573.db2.gz JCUPVQLSSPZNMS-HXUWFJFHSA-N 2 1 426.627 0.514 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@H]3CO)C[C@H]2C)CC1 ZINC001541000780 1071721588 /nfs/dbraw/zinc/72/15/88/1071721588.db2.gz GIFJBKPCEOZLTO-BVYCBKJFSA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@@H+]3CCC[C@H]3CO)C[C@H]2C)CC1 ZINC001541000780 1071721584 /nfs/dbraw/zinc/72/15/84/1071721584.db2.gz GIFJBKPCEOZLTO-BVYCBKJFSA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@@H]3CO)C[C@H]2C)CC1 ZINC001541000781 1071721426 /nfs/dbraw/zinc/72/14/26/1071721426.db2.gz GIFJBKPCEOZLTO-STZQEDGTSA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@@H+]3CCC[C@@H]3CO)C[C@H]2C)CC1 ZINC001541000781 1071721420 /nfs/dbraw/zinc/72/14/20/1071721420.db2.gz GIFJBKPCEOZLTO-STZQEDGTSA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@@H]3CO)C[C@@H]2C)CC1 ZINC001541000782 1071722133 /nfs/dbraw/zinc/72/21/33/1071722133.db2.gz GIFJBKPCEOZLTO-VLCRHTCISA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@@H+]3CCC[C@@H]3CO)C[C@@H]2C)CC1 ZINC001541000782 1071722131 /nfs/dbraw/zinc/72/21/31/1071722131.db2.gz GIFJBKPCEOZLTO-VLCRHTCISA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@H+]3CCC[C@H]3CO)C[C@@H]2C)CC1 ZINC001541000783 1071722023 /nfs/dbraw/zinc/72/20/23/1071722023.db2.gz GIFJBKPCEOZLTO-YUXAGFNASA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCCC[N@@H+]3CCC[C@H]3CO)C[C@@H]2C)CC1 ZINC001541000783 1071722016 /nfs/dbraw/zinc/72/20/16/1071722016.db2.gz GIFJBKPCEOZLTO-YUXAGFNASA-N 2 1 447.628 0.812 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cnn(C)c4)n3C[C@H](C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001541002109 1071722123 /nfs/dbraw/zinc/72/21/23/1071722123.db2.gz RHLICZIARAEEOD-ABSDTBQOSA-N 2 1 443.600 0.618 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cnn(C)c4)n3C[C@H](C)[NH+](C)C)C[C@H]2C)CC1 ZINC001541002110 1071722151 /nfs/dbraw/zinc/72/21/51/1071722151.db2.gz RHLICZIARAEEOD-FUHIMQAGSA-N 2 1 443.600 0.618 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cnn(C)c4)n3C[C@@H](C)[NH+](C)C)C[C@H]2C)CC1 ZINC001541002111 1071722038 /nfs/dbraw/zinc/72/20/38/1071722038.db2.gz RHLICZIARAEEOD-MBOZVWFJSA-N 2 1 443.600 0.618 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cnn(C)c4)n3C[C@@H](C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001541002112 1071721946 /nfs/dbraw/zinc/72/19/46/1071721946.db2.gz RHLICZIARAEEOD-SQGPQFPESA-N 2 1 443.600 0.618 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002606 1071722540 /nfs/dbraw/zinc/72/25/40/1071722540.db2.gz VFQAMQICTSYPTG-BVYCBKJFSA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002606 1071722539 /nfs/dbraw/zinc/72/25/39/1071722539.db2.gz VFQAMQICTSYPTG-BVYCBKJFSA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002609 1071722708 /nfs/dbraw/zinc/72/27/08/1071722708.db2.gz VFQAMQICTSYPTG-STZQEDGTSA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002609 1071722703 /nfs/dbraw/zinc/72/27/03/1071722703.db2.gz VFQAMQICTSYPTG-STZQEDGTSA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002611 1071722623 /nfs/dbraw/zinc/72/26/23/1071722623.db2.gz VFQAMQICTSYPTG-VLCRHTCISA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002611 1071722618 /nfs/dbraw/zinc/72/26/18/1071722618.db2.gz VFQAMQICTSYPTG-VLCRHTCISA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002612 1071722577 /nfs/dbraw/zinc/72/25/77/1071722577.db2.gz VFQAMQICTSYPTG-YUXAGFNASA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002612 1071722571 /nfs/dbraw/zinc/72/25/71/1071722571.db2.gz VFQAMQICTSYPTG-YUXAGFNASA-N 2 1 447.628 0.932 20 0 ICADMP CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001541005181 1071723635 /nfs/dbraw/zinc/72/36/35/1071723635.db2.gz LXJRPBPEOCCDHZ-UHFFFAOYSA-N 2 1 443.600 0.763 20 0 ICADMP CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001541005181 1071723629 /nfs/dbraw/zinc/72/36/29/1071723629.db2.gz LXJRPBPEOCCDHZ-UHFFFAOYSA-N 2 1 443.600 0.763 20 0 ICADMP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001541360690 1071789414 /nfs/dbraw/zinc/78/94/14/1071789414.db2.gz HPLHYFKWMKECAC-UHFFFAOYSA-N 2 1 433.601 0.868 20 0 ICADMP CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001541468726 1071797083 /nfs/dbraw/zinc/79/70/83/1071797083.db2.gz OXINRROMUDVQCE-UHFFFAOYSA-N 2 1 447.628 0.943 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001541607331 1071814695 /nfs/dbraw/zinc/81/46/95/1071814695.db2.gz LXQSTRVJVJPLGA-MOPGFXCFSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001541607331 1071814686 /nfs/dbraw/zinc/81/46/86/1071814686.db2.gz LXQSTRVJVJPLGA-MOPGFXCFSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001541607331 1071814682 /nfs/dbraw/zinc/81/46/82/1071814682.db2.gz LXQSTRVJVJPLGA-MOPGFXCFSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001541607332 1071815601 /nfs/dbraw/zinc/81/56/01/1071815601.db2.gz LXQSTRVJVJPLGA-OALUTQOASA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001541607332 1071815591 /nfs/dbraw/zinc/81/55/91/1071815591.db2.gz LXQSTRVJVJPLGA-OALUTQOASA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001541607332 1071815580 /nfs/dbraw/zinc/81/55/80/1071815580.db2.gz LXQSTRVJVJPLGA-OALUTQOASA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001541607333 1071815847 /nfs/dbraw/zinc/81/58/47/1071815847.db2.gz LXQSTRVJVJPLGA-RBUKOAKNSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001541607333 1071815840 /nfs/dbraw/zinc/81/58/40/1071815840.db2.gz LXQSTRVJVJPLGA-RBUKOAKNSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001541607333 1071815829 /nfs/dbraw/zinc/81/58/29/1071815829.db2.gz LXQSTRVJVJPLGA-RBUKOAKNSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001541607334 1071815914 /nfs/dbraw/zinc/81/59/14/1071815914.db2.gz LXQSTRVJVJPLGA-RTBURBONSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001541607334 1071815906 /nfs/dbraw/zinc/81/59/06/1071815906.db2.gz LXQSTRVJVJPLGA-RTBURBONSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001541607334 1071815898 /nfs/dbraw/zinc/81/58/98/1071815898.db2.gz LXQSTRVJVJPLGA-RTBURBONSA-N 2 1 433.601 0.865 20 0 ICADMP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001541628415 1071818985 /nfs/dbraw/zinc/81/89/85/1071818985.db2.gz DDWUZPGRPJRRIC-MOPGFXCFSA-N 2 1 433.601 0.997 20 0 ICADMP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001541628416 1071818889 /nfs/dbraw/zinc/81/88/89/1071818889.db2.gz DDWUZPGRPJRRIC-OALUTQOASA-N 2 1 433.601 0.997 20 0 ICADMP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001541628417 1071818740 /nfs/dbraw/zinc/81/87/40/1071818740.db2.gz DDWUZPGRPJRRIC-RBUKOAKNSA-N 2 1 433.601 0.997 20 0 ICADMP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001541628418 1071819015 /nfs/dbraw/zinc/81/90/15/1071819015.db2.gz DDWUZPGRPJRRIC-RTBURBONSA-N 2 1 433.601 0.997 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001541649332 1071830386 /nfs/dbraw/zinc/83/03/86/1071830386.db2.gz COXZRMVGFCMFLI-FHWLQOOXSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001541649332 1071830383 /nfs/dbraw/zinc/83/03/83/1071830383.db2.gz COXZRMVGFCMFLI-FHWLQOOXSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541649332 1071830372 /nfs/dbraw/zinc/83/03/72/1071830372.db2.gz COXZRMVGFCMFLI-FHWLQOOXSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001541649333 1071830133 /nfs/dbraw/zinc/83/01/33/1071830133.db2.gz COXZRMVGFCMFLI-OTWHNJEPSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001541649333 1071830129 /nfs/dbraw/zinc/83/01/29/1071830129.db2.gz COXZRMVGFCMFLI-OTWHNJEPSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541649333 1071830127 /nfs/dbraw/zinc/83/01/27/1071830127.db2.gz COXZRMVGFCMFLI-OTWHNJEPSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001541649334 1071830185 /nfs/dbraw/zinc/83/01/85/1071830185.db2.gz COXZRMVGFCMFLI-QRVBRYPASA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001541649334 1071830179 /nfs/dbraw/zinc/83/01/79/1071830179.db2.gz COXZRMVGFCMFLI-QRVBRYPASA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001541649334 1071830177 /nfs/dbraw/zinc/83/01/77/1071830177.db2.gz COXZRMVGFCMFLI-QRVBRYPASA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001541649335 1071830262 /nfs/dbraw/zinc/83/02/62/1071830262.db2.gz COXZRMVGFCMFLI-QYZOEREBSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001541649335 1071830253 /nfs/dbraw/zinc/83/02/53/1071830253.db2.gz COXZRMVGFCMFLI-QYZOEREBSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[NH+]3C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001541649335 1071830248 /nfs/dbraw/zinc/83/02/48/1071830248.db2.gz COXZRMVGFCMFLI-QYZOEREBSA-N 2 1 433.601 0.936 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541656457 1071833636 /nfs/dbraw/zinc/83/36/36/1071833636.db2.gz GWIKAXSGXHXMLX-AVRDEDQJSA-N 2 1 433.601 0.795 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541656458 1071833557 /nfs/dbraw/zinc/83/35/57/1071833557.db2.gz GWIKAXSGXHXMLX-GCJKJVERSA-N 2 1 433.601 0.795 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541656459 1071834248 /nfs/dbraw/zinc/83/42/48/1071834248.db2.gz GWIKAXSGXHXMLX-PGRDOPGGSA-N 2 1 433.601 0.795 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541656460 1071834613 /nfs/dbraw/zinc/83/46/13/1071834613.db2.gz GWIKAXSGXHXMLX-XMSQKQJNSA-N 2 1 433.601 0.795 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541677140 1071851746 /nfs/dbraw/zinc/85/17/46/1071851746.db2.gz QNXFFXSJCSWZTO-JOCHJYFZSA-N 2 1 449.600 0.032 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541677141 1071852019 /nfs/dbraw/zinc/85/20/19/1071852019.db2.gz QNXFFXSJCSWZTO-QFIPXVFZSA-N 2 1 449.600 0.032 20 0 ICADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541845391 1071896977 /nfs/dbraw/zinc/89/69/77/1071896977.db2.gz DZYBZJXKAHKAFW-GOSISDBHSA-N 2 1 441.584 0.820 20 0 ICADMP C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541845391 1071896949 /nfs/dbraw/zinc/89/69/49/1071896949.db2.gz DZYBZJXKAHKAFW-GOSISDBHSA-N 2 1 441.584 0.820 20 0 ICADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541845392 1071896854 /nfs/dbraw/zinc/89/68/54/1071896854.db2.gz DZYBZJXKAHKAFW-SFHVURJKSA-N 2 1 441.584 0.820 20 0 ICADMP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541845392 1071896850 /nfs/dbraw/zinc/89/68/50/1071896850.db2.gz DZYBZJXKAHKAFW-SFHVURJKSA-N 2 1 441.584 0.820 20 0 ICADMP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001541865137 1071901455 /nfs/dbraw/zinc/90/14/55/1071901455.db2.gz JVPWMMUGOFPEDP-MSOLQXFVSA-N 2 1 446.600 0.093 20 0 ICADMP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001541865138 1071901431 /nfs/dbraw/zinc/90/14/31/1071901431.db2.gz JVPWMMUGOFPEDP-QZTJIDSGSA-N 2 1 446.600 0.093 20 0 ICADMP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001541865139 1071901501 /nfs/dbraw/zinc/90/15/01/1071901501.db2.gz JVPWMMUGOFPEDP-ROUUACIJSA-N 2 1 446.600 0.093 20 0 ICADMP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001541865140 1071901469 /nfs/dbraw/zinc/90/14/69/1071901469.db2.gz JVPWMMUGOFPEDP-ZWKOTPCHSA-N 2 1 446.600 0.093 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001541920633 1071919887 /nfs/dbraw/zinc/91/98/87/1071919887.db2.gz BEFGMXNOAFRQIY-IKGGRYGDSA-N 2 1 425.603 0.657 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001541920634 1071919920 /nfs/dbraw/zinc/91/99/20/1071919920.db2.gz BEFGMXNOAFRQIY-IXDOHACOSA-N 2 1 425.603 0.657 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001541920635 1071919953 /nfs/dbraw/zinc/91/99/53/1071919953.db2.gz BEFGMXNOAFRQIY-ULQDDVLXSA-N 2 1 425.603 0.657 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001541920636 1071919931 /nfs/dbraw/zinc/91/99/31/1071919931.db2.gz BEFGMXNOAFRQIY-YESZJQIVSA-N 2 1 425.603 0.657 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541946030 1071943201 /nfs/dbraw/zinc/94/32/01/1071943201.db2.gz OQUAADVJENOWBF-CGTJXYLNSA-N 2 1 439.630 0.903 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541946031 1071943316 /nfs/dbraw/zinc/94/33/16/1071943316.db2.gz OQUAADVJENOWBF-JQHSSLGASA-N 2 1 439.630 0.903 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541946032 1071943379 /nfs/dbraw/zinc/94/33/79/1071943379.db2.gz OQUAADVJENOWBF-RYQLBKOJSA-N 2 1 439.630 0.903 20 0 ICADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541946033 1071943275 /nfs/dbraw/zinc/94/32/75/1071943275.db2.gz OQUAADVJENOWBF-SZMVWBNQSA-N 2 1 439.630 0.903 20 0 ICADMP C[NH+](C)CCn1c2cc(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2[nH]c1=O ZINC001542655748 1071992655 /nfs/dbraw/zinc/99/26/55/1071992655.db2.gz LFBFBZAWGKCDQS-GOSISDBHSA-N 2 1 428.537 0.858 20 0 ICADMP C[NH+](C)CCn1c2cc(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ccc2[nH]c1=O ZINC001542655749 1071992756 /nfs/dbraw/zinc/99/27/56/1071992756.db2.gz LFBFBZAWGKCDQS-SFHVURJKSA-N 2 1 428.537 0.858 20 0 ICADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001542656227 1071992700 /nfs/dbraw/zinc/99/27/00/1071992700.db2.gz XNXBONIHOYVRTF-GOSISDBHSA-N 2 1 437.585 0.916 20 0 ICADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001542656227 1071992697 /nfs/dbraw/zinc/99/26/97/1071992697.db2.gz XNXBONIHOYVRTF-GOSISDBHSA-N 2 1 437.585 0.916 20 0 ICADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001542656228 1071992780 /nfs/dbraw/zinc/99/27/80/1071992780.db2.gz XNXBONIHOYVRTF-SFHVURJKSA-N 2 1 437.585 0.916 20 0 ICADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001542656228 1071992774 /nfs/dbraw/zinc/99/27/74/1071992774.db2.gz XNXBONIHOYVRTF-SFHVURJKSA-N 2 1 437.585 0.916 20 0 ICADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184701 1072048397 /nfs/dbraw/zinc/04/83/97/1072048397.db2.gz NSXBXGNLCLNTLN-DFQSSKMNSA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184701 1072048384 /nfs/dbraw/zinc/04/83/84/1072048384.db2.gz NSXBXGNLCLNTLN-DFQSSKMNSA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184702 1072048518 /nfs/dbraw/zinc/04/85/18/1072048518.db2.gz NSXBXGNLCLNTLN-IHPCNDPISA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184702 1072048508 /nfs/dbraw/zinc/04/85/08/1072048508.db2.gz NSXBXGNLCLNTLN-IHPCNDPISA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184703 1072048674 /nfs/dbraw/zinc/04/86/74/1072048674.db2.gz NSXBXGNLCLNTLN-SXLOBPIMSA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543184703 1072048668 /nfs/dbraw/zinc/04/86/68/1072048668.db2.gz NSXBXGNLCLNTLN-SXLOBPIMSA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184704 1072048787 /nfs/dbraw/zinc/04/87/87/1072048787.db2.gz NSXBXGNLCLNTLN-YSIASYRMSA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543184704 1072048778 /nfs/dbraw/zinc/04/87/78/1072048778.db2.gz NSXBXGNLCLNTLN-YSIASYRMSA-N 2 1 433.601 0.686 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001543301095 1072058181 /nfs/dbraw/zinc/05/81/81/1072058181.db2.gz KCOIDIZKCTXSMU-BJLQDIEVSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001543301096 1072058250 /nfs/dbraw/zinc/05/82/50/1072058250.db2.gz KCOIDIZKCTXSMU-GGPKGHCWSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301097 1072058358 /nfs/dbraw/zinc/05/83/58/1072058358.db2.gz KCOIDIZKCTXSMU-NSHGMRRFSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301097 1072058351 /nfs/dbraw/zinc/05/83/51/1072058351.db2.gz KCOIDIZKCTXSMU-NSHGMRRFSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301097 1072058344 /nfs/dbraw/zinc/05/83/44/1072058344.db2.gz KCOIDIZKCTXSMU-NSHGMRRFSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301098 1072057968 /nfs/dbraw/zinc/05/79/68/1072057968.db2.gz KCOIDIZKCTXSMU-WSTZPKSXSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301098 1072057949 /nfs/dbraw/zinc/05/79/49/1072057949.db2.gz KCOIDIZKCTXSMU-WSTZPKSXSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301098 1072057931 /nfs/dbraw/zinc/05/79/31/1072057931.db2.gz KCOIDIZKCTXSMU-WSTZPKSXSA-N 2 1 433.601 0.829 20 0 ICADMP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001543301497 1072058831 /nfs/dbraw/zinc/05/88/31/1072058831.db2.gz WDZXNYKWOODSPH-KDURUIRLSA-N 2 1 433.601 0.830 20 0 ICADMP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330236 1072064800 /nfs/dbraw/zinc/06/48/00/1072064800.db2.gz ALQSYIXCSOJTSB-PMACEKPBSA-N 2 1 433.601 0.688 20 0 ICADMP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330237 1072065072 /nfs/dbraw/zinc/06/50/72/1072065072.db2.gz ALQSYIXCSOJTSB-UXHICEINSA-N 2 1 433.601 0.688 20 0 ICADMP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330238 1072064685 /nfs/dbraw/zinc/06/46/85/1072064685.db2.gz ALQSYIXCSOJTSB-VQTJNVASSA-N 2 1 433.601 0.688 20 0 ICADMP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330239 1072064857 /nfs/dbraw/zinc/06/48/57/1072064857.db2.gz ALQSYIXCSOJTSB-WOJBJXKFSA-N 2 1 433.601 0.688 20 0 ICADMP Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001543330339 1072064895 /nfs/dbraw/zinc/06/48/95/1072064895.db2.gz DLAQOEDKRKLLQX-FQEVSTJZSA-N 2 1 437.658 0.867 20 0 ICADMP Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001543330340 1072064964 /nfs/dbraw/zinc/06/49/64/1072064964.db2.gz DLAQOEDKRKLLQX-HXUWFJFHSA-N 2 1 437.658 0.867 20 0 ICADMP C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001543445249 1072073991 /nfs/dbraw/zinc/07/39/91/1072073991.db2.gz UVCIXYKYAMSZTM-HNNXBMFYSA-N 2 1 433.534 0.745 20 0 ICADMP C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001543445250 1072073915 /nfs/dbraw/zinc/07/39/15/1072073915.db2.gz UVCIXYKYAMSZTM-OAHLLOKOSA-N 2 1 433.534 0.745 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2)CC1 ZINC001543641616 1072082860 /nfs/dbraw/zinc/08/28/60/1072082860.db2.gz SARDFCIMJFEBAR-UHFFFAOYSA-N 2 1 449.625 0.817 20 0 ICADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)cn1 ZINC001543916612 1072093375 /nfs/dbraw/zinc/09/33/75/1072093375.db2.gz HEUCRSAWEIHEPK-UHFFFAOYSA-N 2 1 433.582 0.622 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001543917031 1072093473 /nfs/dbraw/zinc/09/34/73/1072093473.db2.gz JSMFUGHRYBGLRA-UHFFFAOYSA-N 3 1 433.601 0.696 20 0 ICADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001544912186 1072151535 /nfs/dbraw/zinc/15/15/35/1072151535.db2.gz RMGQAQYRKCOWBW-DLBZAZTESA-N 2 1 425.574 0.772 20 0 ICADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001544912187 1072151419 /nfs/dbraw/zinc/15/14/19/1072151419.db2.gz RMGQAQYRKCOWBW-IAGOWNOFSA-N 2 1 425.574 0.772 20 0 ICADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001544912188 1072151558 /nfs/dbraw/zinc/15/15/58/1072151558.db2.gz RMGQAQYRKCOWBW-IRXDYDNUSA-N 2 1 425.574 0.772 20 0 ICADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001544912189 1072151479 /nfs/dbraw/zinc/15/14/79/1072151479.db2.gz RMGQAQYRKCOWBW-SJORKVTESA-N 2 1 425.574 0.772 20 0 ICADMP C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001544981986 1072158772 /nfs/dbraw/zinc/15/87/72/1072158772.db2.gz DYDJMLYEKRBREI-CTNGQTDRSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001544981988 1072158843 /nfs/dbraw/zinc/15/88/43/1072158843.db2.gz DYDJMLYEKRBREI-FPOVZHCZSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001544981991 1072158819 /nfs/dbraw/zinc/15/88/19/1072158819.db2.gz DYDJMLYEKRBREI-PZJWPPBQSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001544981992 1072158684 /nfs/dbraw/zinc/15/86/84/1072158684.db2.gz DYDJMLYEKRBREI-TZIWHRDSSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103446 1072167177 /nfs/dbraw/zinc/16/71/77/1072167177.db2.gz FEDINIHYGLWXEV-FGTMMUONSA-N 2 1 440.614 0.431 20 0 ICADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103447 1072167058 /nfs/dbraw/zinc/16/70/58/1072167058.db2.gz FEDINIHYGLWXEV-KURKYZTESA-N 2 1 440.614 0.431 20 0 ICADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103448 1072167163 /nfs/dbraw/zinc/16/71/63/1072167163.db2.gz FEDINIHYGLWXEV-KZNAEPCWSA-N 2 1 440.614 0.431 20 0 ICADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001545103449 1072166845 /nfs/dbraw/zinc/16/68/45/1072166845.db2.gz FEDINIHYGLWXEV-SQNIBIBYSA-N 2 1 440.614 0.431 20 0 ICADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001545182951 1072181367 /nfs/dbraw/zinc/18/13/67/1072181367.db2.gz SVECSJKJKFROFX-GOSISDBHSA-N 2 1 429.631 0.557 20 0 ICADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001545182952 1072181310 /nfs/dbraw/zinc/18/13/10/1072181310.db2.gz SVECSJKJKFROFX-SFHVURJKSA-N 2 1 429.631 0.557 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(S(=O)(=O)CCCOC)CC3)CC2)CC1 ZINC001545601367 1072207106 /nfs/dbraw/zinc/20/71/06/1072207106.db2.gz AWFYHCDXWDLUQL-UHFFFAOYSA-N 2 1 444.642 0.693 20 0 ICADMP CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546522248 1072211945 /nfs/dbraw/zinc/21/19/45/1072211945.db2.gz QIWRHAGIEMQUNT-IBGZPJMESA-N 2 1 433.601 0.430 20 0 ICADMP CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546522249 1072212064 /nfs/dbraw/zinc/21/20/64/1072212064.db2.gz QIWRHAGIEMQUNT-LJQANCHMSA-N 2 1 433.601 0.430 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001546522742 1072212137 /nfs/dbraw/zinc/21/21/37/1072212137.db2.gz JFMOPVLLUQJYJU-UHFFFAOYSA-N 2 1 435.617 0.942 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001546522742 1072212129 /nfs/dbraw/zinc/21/21/29/1072212129.db2.gz JFMOPVLLUQJYJU-UHFFFAOYSA-N 2 1 435.617 0.942 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001546522766 1072211972 /nfs/dbraw/zinc/21/19/72/1072211972.db2.gz JSZCUBMTCJCXPW-FQEVSTJZSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001546522767 1072212039 /nfs/dbraw/zinc/21/20/39/1072212039.db2.gz JSZCUBMTCJCXPW-HXUWFJFHSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001546523147 1072212612 /nfs/dbraw/zinc/21/26/12/1072212612.db2.gz ZDHUCFNWFAZUPE-UHFFFAOYSA-N 2 1 433.601 0.696 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001546740203 1072234322 /nfs/dbraw/zinc/23/43/22/1072234322.db2.gz XNJAALVIHPDNLS-AZUAARDMSA-N 2 1 446.600 0.804 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001546740204 1072234267 /nfs/dbraw/zinc/23/42/67/1072234267.db2.gz XNJAALVIHPDNLS-ICSRJNTNSA-N 2 1 446.600 0.804 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001546740205 1072234126 /nfs/dbraw/zinc/23/41/26/1072234126.db2.gz XNJAALVIHPDNLS-QUCCMNQESA-N 2 1 446.600 0.804 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001546740206 1072234006 /nfs/dbraw/zinc/23/40/06/1072234006.db2.gz XNJAALVIHPDNLS-UYAOXDASSA-N 2 1 446.600 0.804 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001546955453 1072249284 /nfs/dbraw/zinc/24/92/84/1072249284.db2.gz WPNWXUAMUKRXLB-JQVVWYNYSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001546955453 1072249279 /nfs/dbraw/zinc/24/92/79/1072249279.db2.gz WPNWXUAMUKRXLB-JQVVWYNYSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001546955453 1072249273 /nfs/dbraw/zinc/24/92/73/1072249273.db2.gz WPNWXUAMUKRXLB-JQVVWYNYSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001546955454 1072249318 /nfs/dbraw/zinc/24/93/18/1072249318.db2.gz WPNWXUAMUKRXLB-KNKQGSTJSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001546955454 1072249314 /nfs/dbraw/zinc/24/93/14/1072249314.db2.gz WPNWXUAMUKRXLB-KNKQGSTJSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001546955454 1072249310 /nfs/dbraw/zinc/24/93/10/1072249310.db2.gz WPNWXUAMUKRXLB-KNKQGSTJSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001546955455 1072249113 /nfs/dbraw/zinc/24/91/13/1072249113.db2.gz WPNWXUAMUKRXLB-NNMXDRDESA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001546955455 1072249107 /nfs/dbraw/zinc/24/91/07/1072249107.db2.gz WPNWXUAMUKRXLB-NNMXDRDESA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001546955455 1072249098 /nfs/dbraw/zinc/24/90/98/1072249098.db2.gz WPNWXUAMUKRXLB-NNMXDRDESA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001546955456 1072249214 /nfs/dbraw/zinc/24/92/14/1072249214.db2.gz WPNWXUAMUKRXLB-WOIUINJBSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001546955456 1072249206 /nfs/dbraw/zinc/24/92/06/1072249206.db2.gz WPNWXUAMUKRXLB-WOIUINJBSA-N 2 1 436.601 0.786 20 0 ICADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001546955456 1072249196 /nfs/dbraw/zinc/24/91/96/1072249196.db2.gz WPNWXUAMUKRXLB-WOIUINJBSA-N 2 1 436.601 0.786 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001547706817 1072332928 /nfs/dbraw/zinc/33/29/28/1072332928.db2.gz BZEVYPLXLUVLRR-HRAATJIYSA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001547706817 1072332922 /nfs/dbraw/zinc/33/29/22/1072332922.db2.gz BZEVYPLXLUVLRR-HRAATJIYSA-N 2 1 428.541 0.522 20 0 ICADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547706817 1072332916 /nfs/dbraw/zinc/33/29/16/1072332916.db2.gz BZEVYPLXLUVLRR-HRAATJIYSA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001547706820 1072332440 /nfs/dbraw/zinc/33/24/40/1072332440.db2.gz BZEVYPLXLUVLRR-IERDGZPVSA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001547706820 1072332433 /nfs/dbraw/zinc/33/24/33/1072332433.db2.gz BZEVYPLXLUVLRR-IERDGZPVSA-N 2 1 428.541 0.522 20 0 ICADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547706820 1072332430 /nfs/dbraw/zinc/33/24/30/1072332430.db2.gz BZEVYPLXLUVLRR-IERDGZPVSA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001547706870 1072332790 /nfs/dbraw/zinc/33/27/90/1072332790.db2.gz BZEVYPLXLUVLRR-IIBYNOLFSA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001547706870 1072332778 /nfs/dbraw/zinc/33/27/78/1072332778.db2.gz BZEVYPLXLUVLRR-IIBYNOLFSA-N 2 1 428.541 0.522 20 0 ICADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001547706870 1072332766 /nfs/dbraw/zinc/33/27/66/1072332766.db2.gz BZEVYPLXLUVLRR-IIBYNOLFSA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001547706871 1072332604 /nfs/dbraw/zinc/33/26/04/1072332604.db2.gz BZEVYPLXLUVLRR-KKSFZXQISA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001547706871 1072332590 /nfs/dbraw/zinc/33/25/90/1072332590.db2.gz BZEVYPLXLUVLRR-KKSFZXQISA-N 2 1 428.541 0.522 20 0 ICADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001547706871 1072332574 /nfs/dbraw/zinc/33/25/74/1072332574.db2.gz BZEVYPLXLUVLRR-KKSFZXQISA-N 2 1 428.541 0.522 20 0 ICADMP CC[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C1CC1 ZINC001547708628 1072334314 /nfs/dbraw/zinc/33/43/14/1072334314.db2.gz OWSPVDJXDCJIOH-CVEARBPZSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@H](C)C1)C1CC1 ZINC001547708628 1072334303 /nfs/dbraw/zinc/33/43/03/1072334303.db2.gz OWSPVDJXDCJIOH-CVEARBPZSA-N 2 1 427.619 0.903 20 0 ICADMP CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001547708628 1072334290 /nfs/dbraw/zinc/33/42/90/1072334290.db2.gz OWSPVDJXDCJIOH-CVEARBPZSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C1CC1 ZINC001547708629 1072334036 /nfs/dbraw/zinc/33/40/36/1072334036.db2.gz OWSPVDJXDCJIOH-HOTGVXAUSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C1CC1 ZINC001547708629 1072334027 /nfs/dbraw/zinc/33/40/27/1072334027.db2.gz OWSPVDJXDCJIOH-HOTGVXAUSA-N 2 1 427.619 0.903 20 0 ICADMP CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001547708629 1072334019 /nfs/dbraw/zinc/33/40/19/1072334019.db2.gz OWSPVDJXDCJIOH-HOTGVXAUSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C1CC1 ZINC001547708631 1072334384 /nfs/dbraw/zinc/33/43/84/1072334384.db2.gz OWSPVDJXDCJIOH-HZPDHXFCSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@H](C)C1)C1CC1 ZINC001547708631 1072334377 /nfs/dbraw/zinc/33/43/77/1072334377.db2.gz OWSPVDJXDCJIOH-HZPDHXFCSA-N 2 1 427.619 0.903 20 0 ICADMP CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001547708631 1072334367 /nfs/dbraw/zinc/33/43/67/1072334367.db2.gz OWSPVDJXDCJIOH-HZPDHXFCSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C1CC1 ZINC001547708633 1072334158 /nfs/dbraw/zinc/33/41/58/1072334158.db2.gz OWSPVDJXDCJIOH-JKSUJKDBSA-N 2 1 427.619 0.903 20 0 ICADMP CC[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C1CC1 ZINC001547708633 1072334146 /nfs/dbraw/zinc/33/41/46/1072334146.db2.gz OWSPVDJXDCJIOH-JKSUJKDBSA-N 2 1 427.619 0.903 20 0 ICADMP CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001547708633 1072334140 /nfs/dbraw/zinc/33/41/40/1072334140.db2.gz OWSPVDJXDCJIOH-JKSUJKDBSA-N 2 1 427.619 0.903 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547709727 1072334233 /nfs/dbraw/zinc/33/42/33/1072334233.db2.gz ZXBCMDPOKIRKOR-HLLBOEOZSA-N 2 1 427.619 0.759 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547709729 1072333959 /nfs/dbraw/zinc/33/39/59/1072333959.db2.gz ZXBCMDPOKIRKOR-VYDXJSESSA-N 2 1 427.619 0.759 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547709731 1072334460 /nfs/dbraw/zinc/33/44/60/1072334460.db2.gz ZXBCMDPOKIRKOR-YQQAZPJKSA-N 2 1 427.619 0.759 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547709733 1072334070 /nfs/dbraw/zinc/33/40/70/1072334070.db2.gz ZXBCMDPOKIRKOR-ZOBUZTSGSA-N 2 1 427.619 0.759 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001547718742 1072336062 /nfs/dbraw/zinc/33/60/62/1072336062.db2.gz MQKOXJVPFFTWQT-BBWFWOEESA-N 2 1 443.618 0.092 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001547718743 1072335815 /nfs/dbraw/zinc/33/58/15/1072335815.db2.gz MQKOXJVPFFTWQT-IKGGRYGDSA-N 2 1 443.618 0.092 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001547718744 1072335772 /nfs/dbraw/zinc/33/57/72/1072335772.db2.gz MQKOXJVPFFTWQT-ULQDDVLXSA-N 2 1 443.618 0.092 20 0 ICADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001547718745 1072336097 /nfs/dbraw/zinc/33/60/97/1072336097.db2.gz MQKOXJVPFFTWQT-ZACQAIPSSA-N 2 1 443.618 0.092 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723234 1072337222 /nfs/dbraw/zinc/33/72/22/1072337222.db2.gz BWVQWPMSNMMAGE-LEWJYISDSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723234 1072337214 /nfs/dbraw/zinc/33/72/14/1072337214.db2.gz BWVQWPMSNMMAGE-LEWJYISDSA-N 2 1 446.644 0.745 20 0 ICADMP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723234 1072337206 /nfs/dbraw/zinc/33/72/06/1072337206.db2.gz BWVQWPMSNMMAGE-LEWJYISDSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723237 1072337354 /nfs/dbraw/zinc/33/73/54/1072337354.db2.gz BWVQWPMSNMMAGE-NHCUHLMSSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723237 1072337345 /nfs/dbraw/zinc/33/73/45/1072337345.db2.gz BWVQWPMSNMMAGE-NHCUHLMSSA-N 2 1 446.644 0.745 20 0 ICADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001547723237 1072337336 /nfs/dbraw/zinc/33/73/36/1072337336.db2.gz BWVQWPMSNMMAGE-NHCUHLMSSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723240 1072337385 /nfs/dbraw/zinc/33/73/85/1072337385.db2.gz BWVQWPMSNMMAGE-RTWAWAEBSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723240 1072337371 /nfs/dbraw/zinc/33/73/71/1072337371.db2.gz BWVQWPMSNMMAGE-RTWAWAEBSA-N 2 1 446.644 0.745 20 0 ICADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723240 1072337369 /nfs/dbraw/zinc/33/73/69/1072337369.db2.gz BWVQWPMSNMMAGE-RTWAWAEBSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723242 1072337450 /nfs/dbraw/zinc/33/74/50/1072337450.db2.gz BWVQWPMSNMMAGE-SFTDATJTSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723242 1072337438 /nfs/dbraw/zinc/33/74/38/1072337438.db2.gz BWVQWPMSNMMAGE-SFTDATJTSA-N 2 1 446.644 0.745 20 0 ICADMP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC001547723242 1072337426 /nfs/dbraw/zinc/33/74/26/1072337426.db2.gz BWVQWPMSNMMAGE-SFTDATJTSA-N 2 1 446.644 0.745 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547724600 1072338380 /nfs/dbraw/zinc/33/83/80/1072338380.db2.gz RSJQEAKVEMUETR-IBGZPJMESA-N 2 1 443.600 0.530 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547724601 1072338144 /nfs/dbraw/zinc/33/81/44/1072338144.db2.gz RSJQEAKVEMUETR-LJQANCHMSA-N 2 1 443.600 0.530 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725825 1072339015 /nfs/dbraw/zinc/33/90/15/1072339015.db2.gz ZXNSIVTXJISGSD-FQEVSTJZSA-N 2 1 445.616 0.473 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725826 1072338887 /nfs/dbraw/zinc/33/88/87/1072338887.db2.gz ZXNSIVTXJISGSD-HXUWFJFHSA-N 2 1 445.616 0.473 20 0 ICADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909476 1072383460 /nfs/dbraw/zinc/38/34/60/1072383460.db2.gz QJWQOSLHWRMJSM-FCHUYYIVSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909476 1072383456 /nfs/dbraw/zinc/38/34/56/1072383456.db2.gz QJWQOSLHWRMJSM-FCHUYYIVSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547909476 1072383452 /nfs/dbraw/zinc/38/34/52/1072383452.db2.gz QJWQOSLHWRMJSM-FCHUYYIVSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909480 1072383496 /nfs/dbraw/zinc/38/34/96/1072383496.db2.gz QJWQOSLHWRMJSM-FGZHOGPDSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909480 1072383491 /nfs/dbraw/zinc/38/34/91/1072383491.db2.gz QJWQOSLHWRMJSM-FGZHOGPDSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547909480 1072383487 /nfs/dbraw/zinc/38/34/87/1072383487.db2.gz QJWQOSLHWRMJSM-FGZHOGPDSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909483 1072383475 /nfs/dbraw/zinc/38/34/75/1072383475.db2.gz QJWQOSLHWRMJSM-VXKWHMMOSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909483 1072383473 /nfs/dbraw/zinc/38/34/73/1072383473.db2.gz QJWQOSLHWRMJSM-VXKWHMMOSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547909483 1072383470 /nfs/dbraw/zinc/38/34/70/1072383470.db2.gz QJWQOSLHWRMJSM-VXKWHMMOSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909488 1072383413 /nfs/dbraw/zinc/38/34/13/1072383413.db2.gz QJWQOSLHWRMJSM-YADHBBJMSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)CCOC1 ZINC001547909488 1072383410 /nfs/dbraw/zinc/38/34/10/1072383410.db2.gz QJWQOSLHWRMJSM-YADHBBJMSA-N 2 1 436.601 0.917 20 0 ICADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001547909488 1072383408 /nfs/dbraw/zinc/38/34/08/1072383408.db2.gz QJWQOSLHWRMJSM-YADHBBJMSA-N 2 1 436.601 0.917 20 0 ICADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001548166173 1072416553 /nfs/dbraw/zinc/41/65/53/1072416553.db2.gz UZXNHRCYLZPENI-IBGZPJMESA-N 2 1 449.600 0.280 20 0 ICADMP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001548166173 1072416547 /nfs/dbraw/zinc/41/65/47/1072416547.db2.gz UZXNHRCYLZPENI-IBGZPJMESA-N 2 1 449.600 0.280 20 0 ICADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001548166178 1072416612 /nfs/dbraw/zinc/41/66/12/1072416612.db2.gz UZXNHRCYLZPENI-LJQANCHMSA-N 2 1 449.600 0.280 20 0 ICADMP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001548166178 1072416609 /nfs/dbraw/zinc/41/66/09/1072416609.db2.gz UZXNHRCYLZPENI-LJQANCHMSA-N 2 1 449.600 0.280 20 0 ICADMP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001548166923 1072417358 /nfs/dbraw/zinc/41/73/58/1072417358.db2.gz IXEUONBLYDWVHO-UHFFFAOYSA-N 2 1 449.600 0.281 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1CC ZINC001548282486 1072436248 /nfs/dbraw/zinc/43/62/48/1072436248.db2.gz INHFFASLEDXJED-AVRDEDQJSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1CC ZINC001548282486 1072436246 /nfs/dbraw/zinc/43/62/46/1072436246.db2.gz INHFFASLEDXJED-AVRDEDQJSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1CC ZINC001548282486 1072436242 /nfs/dbraw/zinc/43/62/42/1072436242.db2.gz INHFFASLEDXJED-AVRDEDQJSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1CC ZINC001548282488 1072436273 /nfs/dbraw/zinc/43/62/73/1072436273.db2.gz INHFFASLEDXJED-GCJKJVERSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1CC ZINC001548282488 1072436272 /nfs/dbraw/zinc/43/62/72/1072436272.db2.gz INHFFASLEDXJED-GCJKJVERSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1CC ZINC001548282488 1072436270 /nfs/dbraw/zinc/43/62/70/1072436270.db2.gz INHFFASLEDXJED-GCJKJVERSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1CC ZINC001548282490 1072436345 /nfs/dbraw/zinc/43/63/45/1072436345.db2.gz INHFFASLEDXJED-PGRDOPGGSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1CC ZINC001548282490 1072436343 /nfs/dbraw/zinc/43/63/43/1072436343.db2.gz INHFFASLEDXJED-PGRDOPGGSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1CC ZINC001548282490 1072436339 /nfs/dbraw/zinc/43/63/39/1072436339.db2.gz INHFFASLEDXJED-PGRDOPGGSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1CC ZINC001548282492 1072436224 /nfs/dbraw/zinc/43/62/24/1072436224.db2.gz INHFFASLEDXJED-XMSQKQJNSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1CC ZINC001548282492 1072436222 /nfs/dbraw/zinc/43/62/22/1072436222.db2.gz INHFFASLEDXJED-XMSQKQJNSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1CC ZINC001548282492 1072436217 /nfs/dbraw/zinc/43/62/17/1072436217.db2.gz INHFFASLEDXJED-XMSQKQJNSA-N 2 1 444.584 0.739 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001548283318 1072436296 /nfs/dbraw/zinc/43/62/96/1072436296.db2.gz BKDPCPUYQLUFLH-IBGZPJMESA-N 2 1 449.600 0.235 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001548283365 1072436307 /nfs/dbraw/zinc/43/63/07/1072436307.db2.gz BKDPCPUYQLUFLH-LJQANCHMSA-N 2 1 449.600 0.235 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001548284893 1072437502 /nfs/dbraw/zinc/43/75/02/1072437502.db2.gz KPDZTFDAXLQDIE-JOCHJYFZSA-N 2 1 429.569 0.489 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001548284893 1072437500 /nfs/dbraw/zinc/43/75/00/1072437500.db2.gz KPDZTFDAXLQDIE-JOCHJYFZSA-N 2 1 429.569 0.489 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001548284894 1072437522 /nfs/dbraw/zinc/43/75/22/1072437522.db2.gz KPDZTFDAXLQDIE-QFIPXVFZSA-N 2 1 429.569 0.489 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001548284894 1072437520 /nfs/dbraw/zinc/43/75/20/1072437520.db2.gz KPDZTFDAXLQDIE-QFIPXVFZSA-N 2 1 429.569 0.489 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001548286212 1072438219 /nfs/dbraw/zinc/43/82/19/1072438219.db2.gz YIFJSHYNNXEGSS-IBGZPJMESA-N 2 1 433.601 0.901 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001548286212 1072438213 /nfs/dbraw/zinc/43/82/13/1072438213.db2.gz YIFJSHYNNXEGSS-IBGZPJMESA-N 2 1 433.601 0.901 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001548286213 1072438340 /nfs/dbraw/zinc/43/83/40/1072438340.db2.gz YIFJSHYNNXEGSS-LJQANCHMSA-N 2 1 433.601 0.901 20 0 ICADMP CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001548286213 1072438338 /nfs/dbraw/zinc/43/83/38/1072438338.db2.gz YIFJSHYNNXEGSS-LJQANCHMSA-N 2 1 433.601 0.901 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554357141 1072560837 /nfs/dbraw/zinc/56/08/37/1072560837.db2.gz AMCCXSFTQDDWAY-HSZRJFAPSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554357141 1072560824 /nfs/dbraw/zinc/56/08/24/1072560824.db2.gz AMCCXSFTQDDWAY-HSZRJFAPSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001554357141 1072560807 /nfs/dbraw/zinc/56/08/07/1072560807.db2.gz AMCCXSFTQDDWAY-HSZRJFAPSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001554357141 1072560794 /nfs/dbraw/zinc/56/07/94/1072560794.db2.gz AMCCXSFTQDDWAY-HSZRJFAPSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554357142 1072560658 /nfs/dbraw/zinc/56/06/58/1072560658.db2.gz AMCCXSFTQDDWAY-QHCPKHFHSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554357142 1072560647 /nfs/dbraw/zinc/56/06/47/1072560647.db2.gz AMCCXSFTQDDWAY-QHCPKHFHSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001554357142 1072560635 /nfs/dbraw/zinc/56/06/35/1072560635.db2.gz AMCCXSFTQDDWAY-QHCPKHFHSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001554357142 1072560620 /nfs/dbraw/zinc/56/06/20/1072560620.db2.gz AMCCXSFTQDDWAY-QHCPKHFHSA-N 2 1 443.596 0.878 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554358391 1072563440 /nfs/dbraw/zinc/56/34/40/1072563440.db2.gz OTXXGDZDDFIHBI-JOCHJYFZSA-N 2 1 446.600 0.540 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001554358391 1072563422 /nfs/dbraw/zinc/56/34/22/1072563422.db2.gz OTXXGDZDDFIHBI-JOCHJYFZSA-N 2 1 446.600 0.540 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554358392 1072563235 /nfs/dbraw/zinc/56/32/35/1072563235.db2.gz OTXXGDZDDFIHBI-QFIPXVFZSA-N 2 1 446.600 0.540 20 0 ICADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001554358392 1072563229 /nfs/dbraw/zinc/56/32/29/1072563229.db2.gz OTXXGDZDDFIHBI-QFIPXVFZSA-N 2 1 446.600 0.540 20 0 ICADMP COCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001555485262 1072784097 /nfs/dbraw/zinc/78/40/97/1072784097.db2.gz JADHXBAEGMJOOW-AZUAARDMSA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001555485262 1072784086 /nfs/dbraw/zinc/78/40/86/1072784086.db2.gz JADHXBAEGMJOOW-AZUAARDMSA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001555485263 1072783734 /nfs/dbraw/zinc/78/37/34/1072783734.db2.gz JADHXBAEGMJOOW-ICSRJNTNSA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001555485263 1072783721 /nfs/dbraw/zinc/78/37/21/1072783721.db2.gz JADHXBAEGMJOOW-ICSRJNTNSA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001555485264 1072783793 /nfs/dbraw/zinc/78/37/93/1072783793.db2.gz JADHXBAEGMJOOW-QUCCMNQESA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001555485264 1072783783 /nfs/dbraw/zinc/78/37/83/1072783783.db2.gz JADHXBAEGMJOOW-QUCCMNQESA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001555485265 1072784035 /nfs/dbraw/zinc/78/40/35/1072784035.db2.gz JADHXBAEGMJOOW-UYAOXDASSA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001555485265 1072784026 /nfs/dbraw/zinc/78/40/26/1072784026.db2.gz JADHXBAEGMJOOW-UYAOXDASSA-N 2 1 444.584 0.860 20 0 ICADMP COCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555485932 1072784632 /nfs/dbraw/zinc/78/46/32/1072784632.db2.gz YZBQSQJGEYXRCI-UHFFFAOYSA-N 2 1 446.600 0.948 20 0 ICADMP COCC[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555521680 1072792663 /nfs/dbraw/zinc/79/26/63/1072792663.db2.gz DIFTWOXSWWMIGF-IBGZPJMESA-N 2 1 449.600 0.499 20 0 ICADMP COCC[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555521681 1072792410 /nfs/dbraw/zinc/79/24/10/1072792410.db2.gz DIFTWOXSWWMIGF-LJQANCHMSA-N 2 1 449.600 0.499 20 0 ICADMP COCC[NH+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001555523371 1072793986 /nfs/dbraw/zinc/79/39/86/1072793986.db2.gz WEOOQUOIFFRXND-FQEVSTJZSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[NH+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001555523371 1072793976 /nfs/dbraw/zinc/79/39/76/1072793976.db2.gz WEOOQUOIFFRXND-FQEVSTJZSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001555523371 1072793968 /nfs/dbraw/zinc/79/39/68/1072793968.db2.gz WEOOQUOIFFRXND-FQEVSTJZSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001555523371 1072793957 /nfs/dbraw/zinc/79/39/57/1072793957.db2.gz WEOOQUOIFFRXND-FQEVSTJZSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[NH+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001555523372 1072794093 /nfs/dbraw/zinc/79/40/93/1072794093.db2.gz WEOOQUOIFFRXND-HXUWFJFHSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[NH+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001555523372 1072794091 /nfs/dbraw/zinc/79/40/91/1072794091.db2.gz WEOOQUOIFFRXND-HXUWFJFHSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001555523372 1072794083 /nfs/dbraw/zinc/79/40/83/1072794083.db2.gz WEOOQUOIFFRXND-HXUWFJFHSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001555523372 1072794077 /nfs/dbraw/zinc/79/40/77/1072794077.db2.gz WEOOQUOIFFRXND-HXUWFJFHSA-N 2 1 429.569 0.753 20 0 ICADMP COCC[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001555526713 1072794404 /nfs/dbraw/zinc/79/44/04/1072794404.db2.gz CHTWJZFYQYPSFK-HKUYNNGSSA-N 2 1 449.600 0.497 20 0 ICADMP COCC[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001555526713 1072794397 /nfs/dbraw/zinc/79/43/97/1072794397.db2.gz CHTWJZFYQYPSFK-HKUYNNGSSA-N 2 1 449.600 0.497 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001555526713 1072794387 /nfs/dbraw/zinc/79/43/87/1072794387.db2.gz CHTWJZFYQYPSFK-HKUYNNGSSA-N 2 1 449.600 0.497 20 0 ICADMP COCC[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001555526714 1072794460 /nfs/dbraw/zinc/79/44/60/1072794460.db2.gz CHTWJZFYQYPSFK-PKOBYXMFSA-N 2 1 449.600 0.497 20 0 ICADMP COCC[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001555526714 1072794450 /nfs/dbraw/zinc/79/44/50/1072794450.db2.gz CHTWJZFYQYPSFK-PKOBYXMFSA-N 2 1 449.600 0.497 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001555526714 1072794438 /nfs/dbraw/zinc/79/44/38/1072794438.db2.gz CHTWJZFYQYPSFK-PKOBYXMFSA-N 2 1 449.600 0.497 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001555526793 1072794340 /nfs/dbraw/zinc/79/43/40/1072794340.db2.gz FVBPPIQYHBPXJL-OALUTQOASA-N 2 1 449.600 0.356 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001555526794 1072794498 /nfs/dbraw/zinc/79/44/98/1072794498.db2.gz FVBPPIQYHBPXJL-RBUKOAKNSA-N 2 1 449.600 0.356 20 0 ICADMP COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001555527289 1072795384 /nfs/dbraw/zinc/79/53/84/1072795384.db2.gz NATGTFNHSFIBFI-UHFFFAOYSA-N 2 1 446.600 0.805 20 0 ICADMP COCC[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555527570 1072796388 /nfs/dbraw/zinc/79/63/88/1072796388.db2.gz IWTZCSVUPRTPPZ-MOPGFXCFSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555527570 1072796385 /nfs/dbraw/zinc/79/63/85/1072796385.db2.gz IWTZCSVUPRTPPZ-MOPGFXCFSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555527570 1072796379 /nfs/dbraw/zinc/79/63/79/1072796379.db2.gz IWTZCSVUPRTPPZ-MOPGFXCFSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555527571 1072796111 /nfs/dbraw/zinc/79/61/11/1072796111.db2.gz IWTZCSVUPRTPPZ-OALUTQOASA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555527571 1072796101 /nfs/dbraw/zinc/79/61/01/1072796101.db2.gz IWTZCSVUPRTPPZ-OALUTQOASA-N 2 1 449.600 0.103 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555527571 1072796094 /nfs/dbraw/zinc/79/60/94/1072796094.db2.gz IWTZCSVUPRTPPZ-OALUTQOASA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555527574 1072796362 /nfs/dbraw/zinc/79/63/62/1072796362.db2.gz IWTZCSVUPRTPPZ-RBUKOAKNSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555527574 1072796358 /nfs/dbraw/zinc/79/63/58/1072796358.db2.gz IWTZCSVUPRTPPZ-RBUKOAKNSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555527574 1072796349 /nfs/dbraw/zinc/79/63/49/1072796349.db2.gz IWTZCSVUPRTPPZ-RBUKOAKNSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555527576 1072796040 /nfs/dbraw/zinc/79/60/40/1072796040.db2.gz IWTZCSVUPRTPPZ-RTBURBONSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555527576 1072796028 /nfs/dbraw/zinc/79/60/28/1072796028.db2.gz IWTZCSVUPRTPPZ-RTBURBONSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555527576 1072796011 /nfs/dbraw/zinc/79/60/11/1072796011.db2.gz IWTZCSVUPRTPPZ-RTBURBONSA-N 2 1 449.600 0.103 20 0 ICADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC2)CC1 ZINC001555578559 1072809555 /nfs/dbraw/zinc/80/95/55/1072809555.db2.gz XRGXNIQVHVSHBT-UHFFFAOYSA-N 2 1 428.541 0.790 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001555585993 1072812182 /nfs/dbraw/zinc/81/21/82/1072812182.db2.gz ISPKTVUXGKKKIY-UHFFFAOYSA-N 2 1 431.585 0.899 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001555587689 1072814262 /nfs/dbraw/zinc/81/42/62/1072814262.db2.gz YACCCBVLFUHCCQ-JOCHJYFZSA-N 2 1 430.553 0.789 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001555587689 1072814254 /nfs/dbraw/zinc/81/42/54/1072814254.db2.gz YACCCBVLFUHCCQ-JOCHJYFZSA-N 2 1 430.553 0.789 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001555587691 1072814148 /nfs/dbraw/zinc/81/41/48/1072814148.db2.gz YACCCBVLFUHCCQ-QFIPXVFZSA-N 2 1 430.553 0.789 20 0 ICADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001555587691 1072814140 /nfs/dbraw/zinc/81/41/40/1072814140.db2.gz YACCCBVLFUHCCQ-QFIPXVFZSA-N 2 1 430.553 0.789 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001555753173 1072861361 /nfs/dbraw/zinc/86/13/61/1072861361.db2.gz KJESXXCVHNIJII-FHWLQOOXSA-N 2 1 438.573 0.101 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001555753173 1072861348 /nfs/dbraw/zinc/86/13/48/1072861348.db2.gz KJESXXCVHNIJII-FHWLQOOXSA-N 2 1 438.573 0.101 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001555753175 1072861185 /nfs/dbraw/zinc/86/11/85/1072861185.db2.gz KJESXXCVHNIJII-OTWHNJEPSA-N 2 1 438.573 0.101 20 0 ICADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001555753175 1072861175 /nfs/dbraw/zinc/86/11/75/1072861175.db2.gz KJESXXCVHNIJII-OTWHNJEPSA-N 2 1 438.573 0.101 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(S(=O)(=O)NC(C)C)CC3)CC2)CC1 ZINC001556977188 1072998979 /nfs/dbraw/zinc/99/89/79/1072998979.db2.gz FVSYASYCFPHDRF-UHFFFAOYSA-N 2 1 429.631 0.570 20 0 ICADMP Cc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001557161340 1073018259 /nfs/dbraw/zinc/01/82/59/1073018259.db2.gz CQNRRSLKKNYCGS-INIZCTEOSA-N 2 1 425.537 0.756 20 0 ICADMP Cc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001557161348 1073018445 /nfs/dbraw/zinc/01/84/45/1073018445.db2.gz CQNRRSLKKNYCGS-MRXNPFEDSA-N 2 1 425.537 0.756 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557428416 1073040624 /nfs/dbraw/zinc/04/06/24/1073040624.db2.gz FTKUBEZNYOAYSE-FCHUYYIVSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001557428416 1073040619 /nfs/dbraw/zinc/04/06/19/1073040619.db2.gz FTKUBEZNYOAYSE-FCHUYYIVSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001557428419 1073040699 /nfs/dbraw/zinc/04/06/99/1073040699.db2.gz FTKUBEZNYOAYSE-FGZHOGPDSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001557428419 1073040691 /nfs/dbraw/zinc/04/06/91/1073040691.db2.gz FTKUBEZNYOAYSE-FGZHOGPDSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001557428422 1073040761 /nfs/dbraw/zinc/04/07/61/1073040761.db2.gz FTKUBEZNYOAYSE-VXKWHMMOSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001557428422 1073040750 /nfs/dbraw/zinc/04/07/50/1073040750.db2.gz FTKUBEZNYOAYSE-VXKWHMMOSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001557428425 1073040808 /nfs/dbraw/zinc/04/08/08/1073040808.db2.gz FTKUBEZNYOAYSE-YADHBBJMSA-N 2 1 444.576 0.583 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001557428425 1073040799 /nfs/dbraw/zinc/04/07/99/1073040799.db2.gz FTKUBEZNYOAYSE-YADHBBJMSA-N 2 1 444.576 0.583 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001557449565 1073045290 /nfs/dbraw/zinc/04/52/90/1073045290.db2.gz AQHYXRXVQHPOOP-INIZCTEOSA-N 2 1 444.573 0.848 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001557449565 1073045286 /nfs/dbraw/zinc/04/52/86/1073045286.db2.gz AQHYXRXVQHPOOP-INIZCTEOSA-N 2 1 444.573 0.848 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001557450045 1073045037 /nfs/dbraw/zinc/04/50/37/1073045037.db2.gz FSXDUQSUSOZIDT-FXAWDEMLSA-N 2 1 444.580 0.924 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001557450045 1073045030 /nfs/dbraw/zinc/04/50/30/1073045030.db2.gz FSXDUQSUSOZIDT-FXAWDEMLSA-N 2 1 444.580 0.924 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001557450047 1073045230 /nfs/dbraw/zinc/04/52/30/1073045230.db2.gz FSXDUQSUSOZIDT-PXNSSMCTSA-N 2 1 444.580 0.924 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001557450047 1073045218 /nfs/dbraw/zinc/04/52/18/1073045218.db2.gz FSXDUQSUSOZIDT-PXNSSMCTSA-N 2 1 444.580 0.924 20 0 ICADMP Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2)cn1C ZINC001557451253 1073045142 /nfs/dbraw/zinc/04/51/42/1073045142.db2.gz WCLPVVQYFBWFQP-INIZCTEOSA-N 2 1 442.630 0.517 20 0 ICADMP Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2)cn1C ZINC001557451253 1073045129 /nfs/dbraw/zinc/04/51/29/1073045129.db2.gz WCLPVVQYFBWFQP-INIZCTEOSA-N 2 1 442.630 0.517 20 0 ICADMP COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)[nH]1 ZINC001557930602 1073100554 /nfs/dbraw/zinc/10/05/54/1073100554.db2.gz JINIJXJNYWWWRV-QZTJIDSGSA-N 2 1 443.548 0.693 20 0 ICADMP CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC001557965461 1073104924 /nfs/dbraw/zinc/10/49/24/1073104924.db2.gz FFMPVUAUESREDW-UHFFFAOYSA-N 2 1 443.658 0.914 20 0 ICADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001559963842 1073260257 /nfs/dbraw/zinc/26/02/57/1073260257.db2.gz FBVMTQWMPFRBGN-IBGZPJMESA-N 2 1 431.581 0.229 20 0 ICADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001559963843 1073260213 /nfs/dbraw/zinc/26/02/13/1073260213.db2.gz FBVMTQWMPFRBGN-LJQANCHMSA-N 2 1 431.581 0.229 20 0 ICADMP NC(=O)c1cn(C2CC[NH+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)nn1 ZINC001560003828 1073264317 /nfs/dbraw/zinc/26/43/17/1073264317.db2.gz HRSGCHJFXXYDOS-UHFFFAOYSA-N 2 1 425.537 0.926 20 0 ICADMP C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001560055737 1073271300 /nfs/dbraw/zinc/27/13/00/1073271300.db2.gz LGFQJNHNZOCKAP-KSZLIROESA-N 2 1 436.578 0.918 20 0 ICADMP C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001560055738 1073271693 /nfs/dbraw/zinc/27/16/93/1073271693.db2.gz LGFQJNHNZOCKAP-KURKYZTESA-N 2 1 436.578 0.918 20 0 ICADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC001560056014 1073271555 /nfs/dbraw/zinc/27/15/55/1073271555.db2.gz UZPYMAJLWUSPDN-MOPGFXCFSA-N 2 1 436.578 0.207 20 0 ICADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC001560056014 1073271543 /nfs/dbraw/zinc/27/15/43/1073271543.db2.gz UZPYMAJLWUSPDN-MOPGFXCFSA-N 2 1 436.578 0.207 20 0 ICADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC001560056014 1073271530 /nfs/dbraw/zinc/27/15/30/1073271530.db2.gz UZPYMAJLWUSPDN-MOPGFXCFSA-N 2 1 436.578 0.207 20 0 ICADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC001560056014 1073271519 /nfs/dbraw/zinc/27/15/19/1073271519.db2.gz UZPYMAJLWUSPDN-MOPGFXCFSA-N 2 1 436.578 0.207 20 0 ICADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC001560056014 1073271499 /nfs/dbraw/zinc/27/14/99/1073271499.db2.gz UZPYMAJLWUSPDN-MOPGFXCFSA-N 2 1 436.578 0.207 20 0 ICADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC001561144331 1073307898 /nfs/dbraw/zinc/30/78/98/1073307898.db2.gz UCUUSHDQXBQWCM-UHFFFAOYSA-N 2 1 430.615 0.353 20 0 ICADMP O=c1cnc2cc(S(=O)(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2[nH]1 ZINC001561183057 1073310036 /nfs/dbraw/zinc/31/00/36/1073310036.db2.gz SBNUGWMXIMRRRN-UHFFFAOYSA-N 2 1 428.518 0.809 20 0 ICADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc2)CC1 ZINC001562293539 1073447015 /nfs/dbraw/zinc/44/70/15/1073447015.db2.gz QNSRMUXSPWDHBD-UHFFFAOYSA-N 2 1 432.569 0.948 20 0 ICADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448754 /nfs/dbraw/zinc/44/87/54/1073448754.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 2 1 425.555 0.201 20 0 ICADMP C[NH+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448747 /nfs/dbraw/zinc/44/87/47/1073448747.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 2 1 425.555 0.201 20 0 ICADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[NH+]3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448738 /nfs/dbraw/zinc/44/87/38/1073448738.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 2 1 425.555 0.201 20 0 ICADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCC[NH+]3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448733 /nfs/dbraw/zinc/44/87/33/1073448733.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 2 1 425.555 0.201 20 0 ICADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC001562329858 1073448416 /nfs/dbraw/zinc/44/84/16/1073448416.db2.gz JQQXJIMZMAFROW-UHFFFAOYSA-N 2 1 432.569 0.475 20 0 ICADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC001562813394 1072461999 /nfs/dbraw/zinc/46/19/99/1072461999.db2.gz POCIYGBQXRGJKB-CQSZACIVSA-N 2 1 427.347 0.784 20 0 ICADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001562813394 1072461997 /nfs/dbraw/zinc/46/19/97/1072461997.db2.gz POCIYGBQXRGJKB-CQSZACIVSA-N 2 1 427.347 0.784 20 0 ICADMP C[NH+](C)CCN1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC001563487956 1073490786 /nfs/dbraw/zinc/49/07/86/1073490786.db2.gz QGDNUIUXUNCJON-NRFANRHFSA-N 2 1 430.597 0.781 20 0 ICADMP C[NH+](C)CCN1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC001563487956 1073490779 /nfs/dbraw/zinc/49/07/79/1073490779.db2.gz QGDNUIUXUNCJON-NRFANRHFSA-N 2 1 430.597 0.781 20 0 ICADMP CN1CC[N@@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@H](c2ccccc2)C1 ZINC001563487956 1073490768 /nfs/dbraw/zinc/49/07/68/1073490768.db2.gz QGDNUIUXUNCJON-NRFANRHFSA-N 2 1 430.597 0.781 20 0 ICADMP C[NH+](C)CCN1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001563487957 1073490932 /nfs/dbraw/zinc/49/09/32/1073490932.db2.gz QGDNUIUXUNCJON-OAQYLSRUSA-N 2 1 430.597 0.781 20 0 ICADMP C[NH+](C)CCN1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001563487957 1073490927 /nfs/dbraw/zinc/49/09/27/1073490927.db2.gz QGDNUIUXUNCJON-OAQYLSRUSA-N 2 1 430.597 0.781 20 0 ICADMP CN1CC[N@@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@@H](c2ccccc2)C1 ZINC001563487957 1073490924 /nfs/dbraw/zinc/49/09/24/1073490924.db2.gz QGDNUIUXUNCJON-OAQYLSRUSA-N 2 1 430.597 0.781 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)cc2)CC1 ZINC001563566958 1073496255 /nfs/dbraw/zinc/49/62/55/1073496255.db2.gz VKLBBMUOKRHRQC-LEWJYISDSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)cc2)CC1 ZINC001563566958 1073496251 /nfs/dbraw/zinc/49/62/51/1073496251.db2.gz VKLBBMUOKRHRQC-LEWJYISDSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)cc2)CC1 ZINC001563566959 1073496397 /nfs/dbraw/zinc/49/63/97/1073496397.db2.gz VKLBBMUOKRHRQC-NHCUHLMSSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)cc2)CC1 ZINC001563566959 1073496395 /nfs/dbraw/zinc/49/63/95/1073496395.db2.gz VKLBBMUOKRHRQC-NHCUHLMSSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)cc2)CC1 ZINC001563566960 1073496297 /nfs/dbraw/zinc/49/62/97/1073496297.db2.gz VKLBBMUOKRHRQC-RTWAWAEBSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)cc2)CC1 ZINC001563566960 1073496294 /nfs/dbraw/zinc/49/62/94/1073496294.db2.gz VKLBBMUOKRHRQC-RTWAWAEBSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)cc2)CC1 ZINC001563566961 1073496416 /nfs/dbraw/zinc/49/64/16/1073496416.db2.gz VKLBBMUOKRHRQC-SFTDATJTSA-N 2 1 429.565 0.815 20 0 ICADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)cc2)CC1 ZINC001563566961 1073496413 /nfs/dbraw/zinc/49/64/13/1073496413.db2.gz VKLBBMUOKRHRQC-SFTDATJTSA-N 2 1 429.565 0.815 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001563567551 1073497582 /nfs/dbraw/zinc/49/75/82/1073497582.db2.gz RMSKGPUPVLTXFG-KRWDZBQOSA-N 2 1 432.569 0.330 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001563567551 1073497580 /nfs/dbraw/zinc/49/75/80/1073497580.db2.gz RMSKGPUPVLTXFG-KRWDZBQOSA-N 2 1 432.569 0.330 20 0 ICADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001563603873 1073500822 /nfs/dbraw/zinc/50/08/22/1073500822.db2.gz MHAIVCRIWSEEMW-UHFFFAOYSA-N 2 1 433.601 0.989 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563707693 1073505748 /nfs/dbraw/zinc/50/57/48/1073505748.db2.gz ZOXAMZVWHKCDOI-KRWDZBQOSA-N 2 1 442.605 0.637 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563707693 1073505739 /nfs/dbraw/zinc/50/57/39/1073505739.db2.gz ZOXAMZVWHKCDOI-KRWDZBQOSA-N 2 1 442.605 0.637 20 0 ICADMP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001563825358 1073514009 /nfs/dbraw/zinc/51/40/09/1073514009.db2.gz WJDWUQXIHWGYBD-NRFANRHFSA-N 2 1 445.612 0.429 20 0 ICADMP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001563825359 1073514120 /nfs/dbraw/zinc/51/41/20/1073514120.db2.gz WJDWUQXIHWGYBD-OAQYLSRUSA-N 2 1 445.612 0.429 20 0 ICADMP CN(C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001563993256 1073529658 /nfs/dbraw/zinc/52/96/58/1073529658.db2.gz XIEKFMLPDXDBSS-HBMCJLEFSA-N 2 1 429.565 0.998 20 0 ICADMP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C[NH+](C)C ZINC001564236110 1073541180 /nfs/dbraw/zinc/54/11/80/1073541180.db2.gz LMKZUSPILWUUAS-WOJBJXKFSA-N 2 1 438.661 0.994 20 0 ICADMP CN(C)S(=O)(=O)NCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001564797232 1071762440 /nfs/dbraw/zinc/76/24/40/1071762440.db2.gz MWCOASPXOMQGLT-UHFFFAOYSA-N 2 1 432.635 0.220 20 0 ICADMP CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC[N@H+]1CCO ZINC001564928846 1071771724 /nfs/dbraw/zinc/77/17/24/1071771724.db2.gz OMTUYRWKIFEMLC-UHFFFAOYSA-N 2 1 431.581 0.982 20 0 ICADMP CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001565049670 1071786112 /nfs/dbraw/zinc/78/61/12/1071786112.db2.gz HXXKDSBCRKEKSD-MOPGFXCFSA-N 2 1 430.615 0.636 20 0 ICADMP CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001565049671 1071785920 /nfs/dbraw/zinc/78/59/20/1071785920.db2.gz HXXKDSBCRKEKSD-OALUTQOASA-N 2 1 430.615 0.636 20 0 ICADMP CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001565049672 1071786720 /nfs/dbraw/zinc/78/67/20/1071786720.db2.gz HXXKDSBCRKEKSD-RBUKOAKNSA-N 2 1 430.615 0.636 20 0 ICADMP CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001565049673 1071786552 /nfs/dbraw/zinc/78/65/52/1071786552.db2.gz HXXKDSBCRKEKSD-RTBURBONSA-N 2 1 430.615 0.636 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001565055420 1071787315 /nfs/dbraw/zinc/78/73/15/1071787315.db2.gz CETDFGVUOASETR-KRWDZBQOSA-N 2 1 438.617 0.404 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001565055420 1071787304 /nfs/dbraw/zinc/78/73/04/1071787304.db2.gz CETDFGVUOASETR-KRWDZBQOSA-N 2 1 438.617 0.404 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055455 1071787205 /nfs/dbraw/zinc/78/72/05/1071787205.db2.gz DBYWTGSTQATBEU-ROUUACIJSA-N 2 1 433.619 0.094 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055455 1071787194 /nfs/dbraw/zinc/78/71/94/1071787194.db2.gz DBYWTGSTQATBEU-ROUUACIJSA-N 2 1 433.619 0.094 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055456 1071787112 /nfs/dbraw/zinc/78/71/12/1071787112.db2.gz DBYWTGSTQATBEU-ZWKOTPCHSA-N 2 1 433.619 0.094 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055456 1071787103 /nfs/dbraw/zinc/78/71/03/1071787103.db2.gz DBYWTGSTQATBEU-ZWKOTPCHSA-N 2 1 433.619 0.094 20 0 ICADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265633 1071810204 /nfs/dbraw/zinc/81/02/04/1071810204.db2.gz SJPKFEQBYISWMZ-LEWJYISDSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265633 1071810192 /nfs/dbraw/zinc/81/01/92/1071810192.db2.gz SJPKFEQBYISWMZ-LEWJYISDSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1CCOC ZINC001565265633 1071810187 /nfs/dbraw/zinc/81/01/87/1071810187.db2.gz SJPKFEQBYISWMZ-LEWJYISDSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265634 1071810295 /nfs/dbraw/zinc/81/02/95/1071810295.db2.gz SJPKFEQBYISWMZ-NHCUHLMSSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265634 1071810287 /nfs/dbraw/zinc/81/02/87/1071810287.db2.gz SJPKFEQBYISWMZ-NHCUHLMSSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1CCOC ZINC001565265634 1071810281 /nfs/dbraw/zinc/81/02/81/1071810281.db2.gz SJPKFEQBYISWMZ-NHCUHLMSSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265635 1071810036 /nfs/dbraw/zinc/81/00/36/1071810036.db2.gz SJPKFEQBYISWMZ-RTWAWAEBSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265635 1071810021 /nfs/dbraw/zinc/81/00/21/1071810021.db2.gz SJPKFEQBYISWMZ-RTWAWAEBSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@H]1CN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1CCOC ZINC001565265635 1071810008 /nfs/dbraw/zinc/81/00/08/1071810008.db2.gz SJPKFEQBYISWMZ-RTWAWAEBSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265636 1071809837 /nfs/dbraw/zinc/80/98/37/1071809837.db2.gz SJPKFEQBYISWMZ-SFTDATJTSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1CCOC ZINC001565265636 1071809816 /nfs/dbraw/zinc/80/98/16/1071809816.db2.gz SJPKFEQBYISWMZ-SFTDATJTSA-N 2 1 425.618 0.925 20 0 ICADMP CCC[C@H]1CN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1CCOC ZINC001565265636 1071809805 /nfs/dbraw/zinc/80/98/05/1071809805.db2.gz SJPKFEQBYISWMZ-SFTDATJTSA-N 2 1 425.618 0.925 20 0 ICADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265648 1071811221 /nfs/dbraw/zinc/81/12/21/1071811221.db2.gz SNGVCBLEVDZJJQ-ISKFKSNPSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265648 1071811210 /nfs/dbraw/zinc/81/12/10/1071811210.db2.gz SNGVCBLEVDZJJQ-ISKFKSNPSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001565265648 1071811196 /nfs/dbraw/zinc/81/11/96/1071811196.db2.gz SNGVCBLEVDZJJQ-ISKFKSNPSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265649 1071810950 /nfs/dbraw/zinc/81/09/50/1071810950.db2.gz SNGVCBLEVDZJJQ-LADGPHEKSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265649 1071810947 /nfs/dbraw/zinc/81/09/47/1071810947.db2.gz SNGVCBLEVDZJJQ-LADGPHEKSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001565265649 1071810942 /nfs/dbraw/zinc/81/09/42/1071810942.db2.gz SNGVCBLEVDZJJQ-LADGPHEKSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265650 1071810837 /nfs/dbraw/zinc/81/08/37/1071810837.db2.gz SNGVCBLEVDZJJQ-UPVQGACJSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265650 1071810831 /nfs/dbraw/zinc/81/08/31/1071810831.db2.gz SNGVCBLEVDZJJQ-UPVQGACJSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001565265650 1071810822 /nfs/dbraw/zinc/81/08/22/1071810822.db2.gz SNGVCBLEVDZJJQ-UPVQGACJSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265651 1071811289 /nfs/dbraw/zinc/81/12/89/1071811289.db2.gz SNGVCBLEVDZJJQ-VWNXMTODSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001565265651 1071811273 /nfs/dbraw/zinc/81/12/73/1071811273.db2.gz SNGVCBLEVDZJJQ-VWNXMTODSA-N 2 1 445.608 0.719 20 0 ICADMP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001565265651 1071811258 /nfs/dbraw/zinc/81/12/58/1071811258.db2.gz SNGVCBLEVDZJJQ-VWNXMTODSA-N 2 1 445.608 0.719 20 0 ICADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001565490524 1071844343 /nfs/dbraw/zinc/84/43/43/1071844343.db2.gz YVSNTAHHRMXTNH-JOCHJYFZSA-N 2 1 442.608 0.929 20 0 ICADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001565490525 1071844219 /nfs/dbraw/zinc/84/42/19/1071844219.db2.gz YVSNTAHHRMXTNH-QFIPXVFZSA-N 2 1 442.608 0.929 20 0 ICADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001565793877 1071873769 /nfs/dbraw/zinc/87/37/69/1071873769.db2.gz VCHLBAHOOZMOGB-JOCHJYFZSA-N 2 1 428.537 0.527 20 0 ICADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001565793878 1071873831 /nfs/dbraw/zinc/87/38/31/1071873831.db2.gz VCHLBAHOOZMOGB-QFIPXVFZSA-N 2 1 428.537 0.527 20 0 ICADMP C[NH+](C)CCSc1nc(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC001566216853 1071893851 /nfs/dbraw/zinc/89/38/51/1071893851.db2.gz DDIHPBYORSISDG-HNNXBMFYSA-N 2 1 434.653 0.917 20 0 ICADMP C[NH+](C)CCSc1nc(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC001566216854 1071893791 /nfs/dbraw/zinc/89/37/91/1071893791.db2.gz DDIHPBYORSISDG-OAHLLOKOSA-N 2 1 434.653 0.917 20 0 ICADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001569178061 1071972950 /nfs/dbraw/zinc/97/29/50/1071972950.db2.gz VAXGYVFXCNLQOZ-HDICACEKSA-N 2 1 440.610 0.752 20 0 ICADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001569178061 1071972945 /nfs/dbraw/zinc/97/29/45/1071972945.db2.gz VAXGYVFXCNLQOZ-HDICACEKSA-N 2 1 440.610 0.752 20 0 ICADMP CC[NH+]1CCN(CCC(=O)N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001569932020 1071991358 /nfs/dbraw/zinc/99/13/58/1071991358.db2.gz DQICGSNMNUBJEN-UHFFFAOYSA-N 2 1 429.565 0.700 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC(=O)N(CC[N@@H+](C)CCOC)C3)CC2)CC1 ZINC001570028813 1071993974 /nfs/dbraw/zinc/99/39/74/1071993974.db2.gz HCTWDCORJNDYCL-FQEVSTJZSA-N 3 1 437.629 0.478 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC(=O)N(CC[N@H+](C)CCOC)C3)CC2)CC1 ZINC001570028813 1071993969 /nfs/dbraw/zinc/99/39/69/1071993969.db2.gz HCTWDCORJNDYCL-FQEVSTJZSA-N 3 1 437.629 0.478 20 0 ICADMP CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CC(=O)N(CC[N@@H+](C)CCOC)C3)CC2)CC1 ZINC001570028813 1071993968 /nfs/dbraw/zinc/99/39/68/1071993968.db2.gz HCTWDCORJNDYCL-FQEVSTJZSA-N 2 1 437.629 0.478 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(=O)N(CC[N@@H+](C)CCOC)C3)CC2)CC1 ZINC001570028814 1071994018 /nfs/dbraw/zinc/99/40/18/1071994018.db2.gz HCTWDCORJNDYCL-HXUWFJFHSA-N 3 1 437.629 0.478 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(=O)N(CC[N@H+](C)CCOC)C3)CC2)CC1 ZINC001570028814 1071994015 /nfs/dbraw/zinc/99/40/15/1071994015.db2.gz HCTWDCORJNDYCL-HXUWFJFHSA-N 3 1 437.629 0.478 20 0 ICADMP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(=O)N(CC[N@@H+](C)CCOC)C3)CC2)CC1 ZINC001570028814 1071994013 /nfs/dbraw/zinc/99/40/13/1071994013.db2.gz HCTWDCORJNDYCL-HXUWFJFHSA-N 2 1 437.629 0.478 20 0 ICADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329438 1072009640 /nfs/dbraw/zinc/00/96/40/1072009640.db2.gz WHHSAVRXMZZLMJ-PMACEKPBSA-N 2 1 435.613 0.232 20 0 ICADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329439 1072009807 /nfs/dbraw/zinc/00/98/07/1072009807.db2.gz WHHSAVRXMZZLMJ-UXHICEINSA-N 2 1 435.613 0.232 20 0 ICADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329440 1072009748 /nfs/dbraw/zinc/00/97/48/1072009748.db2.gz WHHSAVRXMZZLMJ-VQTJNVASSA-N 2 1 435.613 0.232 20 0 ICADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC001570329441 1072009597 /nfs/dbraw/zinc/00/95/97/1072009597.db2.gz WHHSAVRXMZZLMJ-WOJBJXKFSA-N 2 1 435.613 0.232 20 0 ICADMP COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC001583251307 1072046201 /nfs/dbraw/zinc/04/62/01/1072046201.db2.gz LFCMIPIIBBNVBY-HSZRJFAPSA-N 2 1 442.564 0.983 20 0 ICADMP COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC001583251308 1072045899 /nfs/dbraw/zinc/04/58/99/1072045899.db2.gz LFCMIPIIBBNVBY-QHCPKHFHSA-N 2 1 442.564 0.983 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001584247525 1072092194 /nfs/dbraw/zinc/09/21/94/1072092194.db2.gz IKPZZOCCPUOOLJ-INIZCTEOSA-N 2 1 444.573 0.848 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001584247525 1072092179 /nfs/dbraw/zinc/09/21/79/1072092179.db2.gz IKPZZOCCPUOOLJ-INIZCTEOSA-N 2 1 444.573 0.848 20 0 ICADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001584247615 1072092318 /nfs/dbraw/zinc/09/23/18/1072092318.db2.gz JTEHYGHJXRQRCT-HNNXBMFYSA-N 2 1 432.612 0.771 20 0 ICADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001584247615 1072092308 /nfs/dbraw/zinc/09/23/08/1072092308.db2.gz JTEHYGHJXRQRCT-HNNXBMFYSA-N 2 1 432.612 0.771 20 0 ICADMP Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC001584932893 1072122384 /nfs/dbraw/zinc/12/23/84/1072122384.db2.gz PCIKUFSGPXRPJU-IBGZPJMESA-N 2 1 425.537 0.633 20 0 ICADMP Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC001584932893 1072122382 /nfs/dbraw/zinc/12/23/82/1072122382.db2.gz PCIKUFSGPXRPJU-IBGZPJMESA-N 2 1 425.537 0.633 20 0 ICADMP Cc1c(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001584932893 1072122377 /nfs/dbraw/zinc/12/23/77/1072122377.db2.gz PCIKUFSGPXRPJU-IBGZPJMESA-N 2 1 425.537 0.633 20 0 ICADMP C[NH+]1CCN([C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc2)CC1 ZINC001585024895 1072127842 /nfs/dbraw/zinc/12/78/42/1072127842.db2.gz HYRSMBZNWRGPSY-JOCHJYFZSA-N 2 1 429.609 0.888 20 0 ICADMP C[NH+]1CCN([C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc2)CC1 ZINC001585024899 1072127895 /nfs/dbraw/zinc/12/78/95/1072127895.db2.gz HYRSMBZNWRGPSY-QFIPXVFZSA-N 2 1 429.609 0.888 20 0 ICADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001585236913 1072140499 /nfs/dbraw/zinc/14/04/99/1072140499.db2.gz HNQGUPVXHKKBEP-LEWJYISDSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001585236913 1072140496 /nfs/dbraw/zinc/14/04/96/1072140496.db2.gz HNQGUPVXHKKBEP-LEWJYISDSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001585236914 1072140585 /nfs/dbraw/zinc/14/05/85/1072140585.db2.gz HNQGUPVXHKKBEP-NHCUHLMSSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001585236914 1072140574 /nfs/dbraw/zinc/14/05/74/1072140574.db2.gz HNQGUPVXHKKBEP-NHCUHLMSSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001585236916 1072140450 /nfs/dbraw/zinc/14/04/50/1072140450.db2.gz HNQGUPVXHKKBEP-RTWAWAEBSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001585236916 1072140444 /nfs/dbraw/zinc/14/04/44/1072140444.db2.gz HNQGUPVXHKKBEP-RTWAWAEBSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001585236918 1072140417 /nfs/dbraw/zinc/14/04/17/1072140417.db2.gz HNQGUPVXHKKBEP-SFTDATJTSA-N 2 1 445.612 0.746 20 0 ICADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001585236918 1072140411 /nfs/dbraw/zinc/14/04/11/1072140411.db2.gz HNQGUPVXHKKBEP-SFTDATJTSA-N 2 1 445.612 0.746 20 0 ICADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001585666634 1072164524 /nfs/dbraw/zinc/16/45/24/1072164524.db2.gz LMDWFRTYPRWHKK-PMACEKPBSA-N 2 1 436.597 0.802 20 0 ICADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001585666637 1072164376 /nfs/dbraw/zinc/16/43/76/1072164376.db2.gz LMDWFRTYPRWHKK-UXHICEINSA-N 2 1 436.597 0.802 20 0 ICADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001585666638 1072164332 /nfs/dbraw/zinc/16/43/32/1072164332.db2.gz LMDWFRTYPRWHKK-VQTJNVASSA-N 2 1 436.597 0.802 20 0 ICADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001585666640 1072164392 /nfs/dbraw/zinc/16/43/92/1072164392.db2.gz LMDWFRTYPRWHKK-WOJBJXKFSA-N 2 1 436.597 0.802 20 0 ICADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001585911132 1072178193 /nfs/dbraw/zinc/17/81/93/1072178193.db2.gz VDPAVIAIIZQDNV-DEOSSOPVSA-N 2 1 443.592 0.915 20 0 ICADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001585911132 1072178183 /nfs/dbraw/zinc/17/81/83/1072178183.db2.gz VDPAVIAIIZQDNV-DEOSSOPVSA-N 2 1 443.592 0.915 20 0 ICADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001585911133 1072178007 /nfs/dbraw/zinc/17/80/07/1072178007.db2.gz VDPAVIAIIZQDNV-XMMPIXPASA-N 2 1 443.592 0.915 20 0 ICADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001585911133 1072178001 /nfs/dbraw/zinc/17/80/01/1072178001.db2.gz VDPAVIAIIZQDNV-XMMPIXPASA-N 2 1 443.592 0.915 20 0 ICADMP Cc1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001586571338 1072219131 /nfs/dbraw/zinc/21/91/31/1072219131.db2.gz FNASGOLJIQKJKW-UHFFFAOYSA-N 2 1 425.537 0.410 20 0 ICADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC001587384907 1072263988 /nfs/dbraw/zinc/26/39/88/1072263988.db2.gz XOPJTYSPMOSZAV-FQEVSTJZSA-N 2 1 449.571 0.966 20 0 ICADMP CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001588055958 1072311854 /nfs/dbraw/zinc/31/18/54/1072311854.db2.gz BKUCXSJPSNPYDN-GOSISDBHSA-N 2 1 442.626 0.335 20 0 ICADMP CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001588055960 1072311811 /nfs/dbraw/zinc/31/18/11/1072311811.db2.gz BKUCXSJPSNPYDN-SFHVURJKSA-N 2 1 442.626 0.335 20 0 ICADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001589194000 1072353085 /nfs/dbraw/zinc/35/30/85/1072353085.db2.gz AGAWKTBSYISQES-IBGZPJMESA-N 2 1 449.596 0.032 20 0 ICADMP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001589194001 1072352807 /nfs/dbraw/zinc/35/28/07/1072352807.db2.gz AGAWKTBSYISQES-LJQANCHMSA-N 2 1 449.596 0.032 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001595505829 1072391171 /nfs/dbraw/zinc/39/11/71/1072391171.db2.gz QOGZJNNYMJXCJE-ACRUOGEOSA-N 2 1 436.597 0.707 20 0 ICADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001595505830 1072391115 /nfs/dbraw/zinc/39/11/15/1072391115.db2.gz QOGZJNNYMJXCJE-PCCBWWKXSA-N 2 1 436.597 0.707 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138005 1072454507 /nfs/dbraw/zinc/45/45/07/1072454507.db2.gz ZBAJZDHLPWBBCY-JXHRLWIKSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138005 1072454500 /nfs/dbraw/zinc/45/45/00/1072454500.db2.gz ZBAJZDHLPWBBCY-JXHRLWIKSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[NH+](C)C3)C[C@@H]2C)CC1 ZINC001596138005 1072454492 /nfs/dbraw/zinc/45/44/92/1072454492.db2.gz ZBAJZDHLPWBBCY-JXHRLWIKSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC001596138006 1072455167 /nfs/dbraw/zinc/45/51/67/1072455167.db2.gz ZBAJZDHLPWBBCY-KKLQWCBXSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)C[C@H]2C)CC1 ZINC001596138006 1072455159 /nfs/dbraw/zinc/45/51/59/1072455159.db2.gz ZBAJZDHLPWBBCY-KKLQWCBXSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[NH+](C)C3)C[C@H]2C)CC1 ZINC001596138006 1072455156 /nfs/dbraw/zinc/45/51/56/1072455156.db2.gz ZBAJZDHLPWBBCY-KKLQWCBXSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138007 1072455090 /nfs/dbraw/zinc/45/50/90/1072455090.db2.gz ZBAJZDHLPWBBCY-NOXFTYBFSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138007 1072455082 /nfs/dbraw/zinc/45/50/82/1072455082.db2.gz ZBAJZDHLPWBBCY-NOXFTYBFSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[NH+](C)C3)C[C@@H]2C)CC1 ZINC001596138007 1072455074 /nfs/dbraw/zinc/45/50/74/1072455074.db2.gz ZBAJZDHLPWBBCY-NOXFTYBFSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC001596138008 1072455213 /nfs/dbraw/zinc/45/52/13/1072455213.db2.gz ZBAJZDHLPWBBCY-XQFWAAQXSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@H+](C)C3)C[C@H]2C)CC1 ZINC001596138008 1072455211 /nfs/dbraw/zinc/45/52/11/1072455211.db2.gz ZBAJZDHLPWBBCY-XQFWAAQXSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[NH+](C)C3)C[C@H]2C)CC1 ZINC001596138008 1072455209 /nfs/dbraw/zinc/45/52/09/1072455209.db2.gz ZBAJZDHLPWBBCY-XQFWAAQXSA-N 2 1 447.628 0.847 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCC[NH+]3CCC(O)CC3)C[C@H]2C)CC1 ZINC001596267912 1072468942 /nfs/dbraw/zinc/46/89/42/1072468942.db2.gz NZFKZKIARVUHBB-DYESRHJHSA-N 2 1 433.601 0.422 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCC[NH+]3CCC(O)CC3)C[C@@H]2C)CC1 ZINC001596267913 1072469081 /nfs/dbraw/zinc/46/90/81/1072469081.db2.gz NZFKZKIARVUHBB-LAUBAEHRSA-N 2 1 433.601 0.422 20 0 ICADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCC[NH+]3CCC(O)CC3)C[C@H]2C)CC1 ZINC001596267914 1072469102 /nfs/dbraw/zinc/46/91/02/1072469102.db2.gz NZFKZKIARVUHBB-UTKZUKDTSA-N 2 1 433.601 0.422 20 0 ICADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCC[NH+]3CCC(O)CC3)C[C@@H]2C)CC1 ZINC001596267915 1072468930 /nfs/dbraw/zinc/46/89/30/1072468930.db2.gz NZFKZKIARVUHBB-UWJYYQICSA-N 2 1 433.601 0.422 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001596268282 1072469930 /nfs/dbraw/zinc/46/99/30/1072469930.db2.gz VJCNOTAFTYKFLG-AZUAARDMSA-N 2 1 435.617 0.969 20 0 ICADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001596268283 1072469785 /nfs/dbraw/zinc/46/97/85/1072469785.db2.gz VJCNOTAFTYKFLG-ICSRJNTNSA-N 2 1 435.617 0.969 20 0 ICADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001596268284 1072469776 /nfs/dbraw/zinc/46/97/76/1072469776.db2.gz VJCNOTAFTYKFLG-QUCCMNQESA-N 2 1 435.617 0.969 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001596268285 1072469943 /nfs/dbraw/zinc/46/99/43/1072469943.db2.gz VJCNOTAFTYKFLG-UYAOXDASSA-N 2 1 435.617 0.969 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC4CC4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001596275406 1072471148 /nfs/dbraw/zinc/47/11/48/1072471148.db2.gz KVLZVLVMIUQZQU-GHTZIAJQSA-N 2 1 447.628 0.798 20 0 ICADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC4CC4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001596275407 1072471247 /nfs/dbraw/zinc/47/12/47/1072471247.db2.gz KVLZVLVMIUQZQU-NQIIRXRSSA-N 2 1 447.628 0.798 20 0 ICADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC4CC4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001596275408 1072471027 /nfs/dbraw/zinc/47/10/27/1072471027.db2.gz KVLZVLVMIUQZQU-RXVVDRJESA-N 2 1 447.628 0.798 20 0 ICADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC4CC4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001596275409 1072471219 /nfs/dbraw/zinc/47/12/19/1072471219.db2.gz KVLZVLVMIUQZQU-WIYYLYMNSA-N 2 1 447.628 0.798 20 0 ICADMP CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001597123240 1072538218 /nfs/dbraw/zinc/53/82/18/1072538218.db2.gz VACLKLWGWWFJNA-UHFFFAOYSA-N 2 1 446.533 0.709 20 0 ICADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001597656937 1072568394 /nfs/dbraw/zinc/56/83/94/1072568394.db2.gz GIBDPJYINFWJRI-UHFFFAOYSA-N 2 1 439.626 0.544 20 0 ICADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001603656589 1072655461 /nfs/dbraw/zinc/65/54/61/1072655461.db2.gz LDRCZOAPGORKED-IBGZPJMESA-N 2 1 435.617 0.798 20 0 ICADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001603656590 1072655487 /nfs/dbraw/zinc/65/54/87/1072655487.db2.gz LDRCZOAPGORKED-LJQANCHMSA-N 2 1 435.617 0.798 20 0 ICADMP CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001607438350 1072674956 /nfs/dbraw/zinc/67/49/56/1072674956.db2.gz XSAGLVCLUUSNAO-LEWJYISDSA-N 2 1 443.592 0.288 20 0 ICADMP CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001607438351 1072675080 /nfs/dbraw/zinc/67/50/80/1072675080.db2.gz XSAGLVCLUUSNAO-NHCUHLMSSA-N 2 1 443.592 0.288 20 0 ICADMP CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001607438352 1072675046 /nfs/dbraw/zinc/67/50/46/1072675046.db2.gz XSAGLVCLUUSNAO-RTWAWAEBSA-N 2 1 443.592 0.288 20 0 ICADMP CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001607438353 1072674920 /nfs/dbraw/zinc/67/49/20/1072674920.db2.gz XSAGLVCLUUSNAO-SFTDATJTSA-N 2 1 443.592 0.288 20 0 ICADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)CC2)CC1 ZINC001607600907 1072680796 /nfs/dbraw/zinc/68/07/96/1072680796.db2.gz JQHOHDBWGOQXFM-UHFFFAOYSA-N 2 1 427.611 0.989 20 0 ICADMP CC(C)[NH+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001607939261 1072688528 /nfs/dbraw/zinc/68/85/28/1072688528.db2.gz OZVHBSQGVGWPLY-IBGZPJMESA-N 2 1 441.584 0.818 20 0 ICADMP CC(C)[NH+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001607939261 1072688524 /nfs/dbraw/zinc/68/85/24/1072688524.db2.gz OZVHBSQGVGWPLY-IBGZPJMESA-N 2 1 441.584 0.818 20 0 ICADMP CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001607939261 1072688521 /nfs/dbraw/zinc/68/85/21/1072688521.db2.gz OZVHBSQGVGWPLY-IBGZPJMESA-N 2 1 441.584 0.818 20 0 ICADMP CC(C)[NH+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001607939262 1072688627 /nfs/dbraw/zinc/68/86/27/1072688627.db2.gz OZVHBSQGVGWPLY-LJQANCHMSA-N 2 1 441.584 0.818 20 0 ICADMP CC(C)[NH+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001607939262 1072688619 /nfs/dbraw/zinc/68/86/19/1072688619.db2.gz OZVHBSQGVGWPLY-LJQANCHMSA-N 2 1 441.584 0.818 20 0 ICADMP CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001607939262 1072688614 /nfs/dbraw/zinc/68/86/14/1072688614.db2.gz OZVHBSQGVGWPLY-LJQANCHMSA-N 2 1 441.584 0.818 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001608604382 1072718879 /nfs/dbraw/zinc/71/88/79/1072718879.db2.gz CDNGFDYDAAWUSU-JXFKEZNVSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001608604382 1072718874 /nfs/dbraw/zinc/71/88/74/1072718874.db2.gz CDNGFDYDAAWUSU-JXFKEZNVSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001608604383 1072718751 /nfs/dbraw/zinc/71/87/51/1072718751.db2.gz CDNGFDYDAAWUSU-OXJNMPFZSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001608604383 1072718746 /nfs/dbraw/zinc/71/87/46/1072718746.db2.gz CDNGFDYDAAWUSU-OXJNMPFZSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001608604384 1072718771 /nfs/dbraw/zinc/71/87/71/1072718771.db2.gz CDNGFDYDAAWUSU-OXQOHEQNSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001608604384 1072718766 /nfs/dbraw/zinc/71/87/66/1072718766.db2.gz CDNGFDYDAAWUSU-OXQOHEQNSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001608604385 1072718858 /nfs/dbraw/zinc/71/88/58/1072718858.db2.gz CDNGFDYDAAWUSU-UZLBHIALSA-N 2 1 437.614 0.374 20 0 ICADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001608604385 1072718853 /nfs/dbraw/zinc/71/88/53/1072718853.db2.gz CDNGFDYDAAWUSU-UZLBHIALSA-N 2 1 437.614 0.374 20 0 ICADMP CC[NH+]1CCN(C(=O)CNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC001611388128 1072775102 /nfs/dbraw/zinc/77/51/02/1072775102.db2.gz BEWSVOGVSROLFS-UHFFFAOYSA-N 2 1 425.537 0.458 20 0 ICADMP CC[NH+]1CCN(C(=O)CNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC001611388128 1072775098 /nfs/dbraw/zinc/77/50/98/1072775098.db2.gz BEWSVOGVSROLFS-UHFFFAOYSA-N 2 1 425.537 0.458 20 0 ICADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001612448343 1072889019 /nfs/dbraw/zinc/88/90/19/1072889019.db2.gz IYANCXULLWLENW-GOSISDBHSA-N 2 1 430.557 0.780 20 0 ICADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001612448344 1072889139 /nfs/dbraw/zinc/88/91/39/1072889139.db2.gz IYANCXULLWLENW-SFHVURJKSA-N 2 1 430.557 0.780 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001612448369 1072889408 /nfs/dbraw/zinc/88/94/08/1072889408.db2.gz JSZSSDYCKUFQKJ-DOTOQJQBSA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001612448369 1072889393 /nfs/dbraw/zinc/88/93/93/1072889393.db2.gz JSZSSDYCKUFQKJ-DOTOQJQBSA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001612448370 1072889353 /nfs/dbraw/zinc/88/93/53/1072889353.db2.gz JSZSSDYCKUFQKJ-NVXWUHKLSA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001612448370 1072889336 /nfs/dbraw/zinc/88/93/36/1072889336.db2.gz JSZSSDYCKUFQKJ-NVXWUHKLSA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001612448371 1072889104 /nfs/dbraw/zinc/88/91/04/1072889104.db2.gz JSZSSDYCKUFQKJ-RDJZCZTQSA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001612448371 1072889095 /nfs/dbraw/zinc/88/90/95/1072889095.db2.gz JSZSSDYCKUFQKJ-RDJZCZTQSA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001612448372 1072889755 /nfs/dbraw/zinc/88/97/55/1072889755.db2.gz JSZSSDYCKUFQKJ-WBVHZDCISA-N 2 1 436.586 0.768 20 0 ICADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001612448372 1072889743 /nfs/dbraw/zinc/88/97/43/1072889743.db2.gz JSZSSDYCKUFQKJ-WBVHZDCISA-N 2 1 436.586 0.768 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612594090 1072907923 /nfs/dbraw/zinc/90/79/23/1072907923.db2.gz QTZLFHVVBXWWFU-PMACEKPBSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612594090 1072907919 /nfs/dbraw/zinc/90/79/19/1072907919.db2.gz QTZLFHVVBXWWFU-PMACEKPBSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001612594090 1072907915 /nfs/dbraw/zinc/90/79/15/1072907915.db2.gz QTZLFHVVBXWWFU-PMACEKPBSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612594091 1072907841 /nfs/dbraw/zinc/90/78/41/1072907841.db2.gz QTZLFHVVBXWWFU-UXHICEINSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612594091 1072907838 /nfs/dbraw/zinc/90/78/38/1072907838.db2.gz QTZLFHVVBXWWFU-UXHICEINSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001612594091 1072907837 /nfs/dbraw/zinc/90/78/37/1072907837.db2.gz QTZLFHVVBXWWFU-UXHICEINSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612594092 1072907900 /nfs/dbraw/zinc/90/79/00/1072907900.db2.gz QTZLFHVVBXWWFU-VQTJNVASSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612594092 1072907895 /nfs/dbraw/zinc/90/78/95/1072907895.db2.gz QTZLFHVVBXWWFU-VQTJNVASSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001612594092 1072907891 /nfs/dbraw/zinc/90/78/91/1072907891.db2.gz QTZLFHVVBXWWFU-VQTJNVASSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612594093 1072908006 /nfs/dbraw/zinc/90/80/06/1072908006.db2.gz QTZLFHVVBXWWFU-WOJBJXKFSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612594093 1072907999 /nfs/dbraw/zinc/90/79/99/1072907999.db2.gz QTZLFHVVBXWWFU-WOJBJXKFSA-N 2 1 433.601 0.566 20 0 ICADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001612594093 1072907992 /nfs/dbraw/zinc/90/79/92/1072907992.db2.gz QTZLFHVVBXWWFU-WOJBJXKFSA-N 2 1 433.601 0.566 20 0 ICADMP C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001612967251 1072944345 /nfs/dbraw/zinc/94/43/45/1072944345.db2.gz SGGBGXHYTWWCIV-CTNGQTDRSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001612967252 1072944746 /nfs/dbraw/zinc/94/47/46/1072944746.db2.gz SGGBGXHYTWWCIV-FPOVZHCZSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001612967253 1072944686 /nfs/dbraw/zinc/94/46/86/1072944686.db2.gz SGGBGXHYTWWCIV-PZJWPPBQSA-N 2 1 443.596 0.999 20 0 ICADMP C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001612967254 1072944675 /nfs/dbraw/zinc/94/46/75/1072944675.db2.gz SGGBGXHYTWWCIV-TZIWHRDSSA-N 2 1 443.596 0.999 20 0 ICADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001613588209 1072983565 /nfs/dbraw/zinc/98/35/65/1072983565.db2.gz BGGMKBXQRKVAFL-JOCHJYFZSA-N 2 1 433.601 0.938 20 0 ICADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001613588210 1072983585 /nfs/dbraw/zinc/98/35/85/1072983585.db2.gz BGGMKBXQRKVAFL-QFIPXVFZSA-N 2 1 433.601 0.938 20 0 ICADMP CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001613943090 1073001573 /nfs/dbraw/zinc/00/15/73/1073001573.db2.gz DMOPHZGFAIDENZ-CTNGQTDRSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001613943090 1073001568 /nfs/dbraw/zinc/00/15/68/1073001568.db2.gz DMOPHZGFAIDENZ-CTNGQTDRSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[NH+]1CCOCC1 ZINC001613943091 1073001749 /nfs/dbraw/zinc/00/17/49/1073001749.db2.gz DMOPHZGFAIDENZ-FPOVZHCZSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[NH+]1CCOCC1 ZINC001613943091 1073001743 /nfs/dbraw/zinc/00/17/43/1073001743.db2.gz DMOPHZGFAIDENZ-FPOVZHCZSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001613943092 1073001890 /nfs/dbraw/zinc/00/18/90/1073001890.db2.gz DMOPHZGFAIDENZ-PZJWPPBQSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001613943092 1073001883 /nfs/dbraw/zinc/00/18/83/1073001883.db2.gz DMOPHZGFAIDENZ-PZJWPPBQSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001613943093 1073001633 /nfs/dbraw/zinc/00/16/33/1073001633.db2.gz DMOPHZGFAIDENZ-TZIWHRDSSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001613943093 1073001624 /nfs/dbraw/zinc/00/16/24/1073001624.db2.gz DMOPHZGFAIDENZ-TZIWHRDSSA-N 2 1 447.628 0.942 20 0 ICADMP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001614013264 1073007672 /nfs/dbraw/zinc/00/76/72/1073007672.db2.gz MMMFRWVPRONHPF-FQEVSTJZSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001614013264 1073007665 /nfs/dbraw/zinc/00/76/65/1073007665.db2.gz MMMFRWVPRONHPF-FQEVSTJZSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001614013264 1073007653 /nfs/dbraw/zinc/00/76/53/1073007653.db2.gz MMMFRWVPRONHPF-FQEVSTJZSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001614013264 1073007639 /nfs/dbraw/zinc/00/76/39/1073007639.db2.gz MMMFRWVPRONHPF-FQEVSTJZSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[NH+]1CCCO ZINC001614013265 1073007857 /nfs/dbraw/zinc/00/78/57/1073007857.db2.gz MMMFRWVPRONHPF-HXUWFJFHSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[NH+]1CCCO ZINC001614013265 1073007852 /nfs/dbraw/zinc/00/78/52/1073007852.db2.gz MMMFRWVPRONHPF-HXUWFJFHSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001614013265 1073007844 /nfs/dbraw/zinc/00/78/44/1073007844.db2.gz MMMFRWVPRONHPF-HXUWFJFHSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001614013265 1073007839 /nfs/dbraw/zinc/00/78/39/1073007839.db2.gz MMMFRWVPRONHPF-HXUWFJFHSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001614018479 1073011055 /nfs/dbraw/zinc/01/10/55/1073011055.db2.gz RWXNZECSMQQJFF-FQEVSTJZSA-N 2 1 447.628 0.822 20 0 ICADMP CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001614018480 1073010948 /nfs/dbraw/zinc/01/09/48/1073010948.db2.gz RWXNZECSMQQJFF-HXUWFJFHSA-N 2 1 447.628 0.822 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001614230644 1073031697 /nfs/dbraw/zinc/03/16/97/1073031697.db2.gz PCJVYPPLMBITBH-DYESRHJHSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001614230644 1073031681 /nfs/dbraw/zinc/03/16/81/1073031681.db2.gz PCJVYPPLMBITBH-DYESRHJHSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001614230644 1073031670 /nfs/dbraw/zinc/03/16/70/1073031670.db2.gz PCJVYPPLMBITBH-DYESRHJHSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001614230645 1073031405 /nfs/dbraw/zinc/03/14/05/1073031405.db2.gz PCJVYPPLMBITBH-LAUBAEHRSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001614230645 1073031403 /nfs/dbraw/zinc/03/14/03/1073031403.db2.gz PCJVYPPLMBITBH-LAUBAEHRSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001614230645 1073031395 /nfs/dbraw/zinc/03/13/95/1073031395.db2.gz PCJVYPPLMBITBH-LAUBAEHRSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001614230646 1073031529 /nfs/dbraw/zinc/03/15/29/1073031529.db2.gz PCJVYPPLMBITBH-UTKZUKDTSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001614230646 1073031519 /nfs/dbraw/zinc/03/15/19/1073031519.db2.gz PCJVYPPLMBITBH-UTKZUKDTSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001614230646 1073031507 /nfs/dbraw/zinc/03/15/07/1073031507.db2.gz PCJVYPPLMBITBH-UTKZUKDTSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC001614230647 1073031853 /nfs/dbraw/zinc/03/18/53/1073031853.db2.gz PCJVYPPLMBITBH-UWJYYQICSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1CCOC ZINC001614230647 1073031837 /nfs/dbraw/zinc/03/18/37/1073031837.db2.gz PCJVYPPLMBITBH-UWJYYQICSA-N 2 1 430.557 0.349 20 0 ICADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1CCOC ZINC001614230647 1073031829 /nfs/dbraw/zinc/03/18/29/1073031829.db2.gz PCJVYPPLMBITBH-UWJYYQICSA-N 2 1 430.557 0.349 20 0 ICADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC001614905251 1073059376 /nfs/dbraw/zinc/05/93/76/1073059376.db2.gz AZCWLTCNKWHMHW-UHFFFAOYSA-N 2 1 429.565 0.946 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615411592 1073089555 /nfs/dbraw/zinc/08/95/55/1073089555.db2.gz PXDUDUGFDALARL-JOCHJYFZSA-N 2 1 435.617 0.633 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615411593 1073089425 /nfs/dbraw/zinc/08/94/25/1073089425.db2.gz PXDUDUGFDALARL-QFIPXVFZSA-N 2 1 435.617 0.633 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615416198 1073090280 /nfs/dbraw/zinc/09/02/80/1073090280.db2.gz YHLUEVOVGZRDKZ-HSZRJFAPSA-N 2 1 447.628 0.993 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615416199 1073089978 /nfs/dbraw/zinc/08/99/78/1073089978.db2.gz YHLUEVOVGZRDKZ-QHCPKHFHSA-N 2 1 447.628 0.993 20 0 ICADMP CC[NH+](CC)CCOCCn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001615450283 1073093683 /nfs/dbraw/zinc/09/36/83/1073093683.db2.gz MGPWTSMNJFBEDO-GOSISDBHSA-N 2 1 430.557 0.614 20 0 ICADMP CC[NH+](CC)CCOCCn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001615450283 1073093669 /nfs/dbraw/zinc/09/36/69/1073093669.db2.gz MGPWTSMNJFBEDO-GOSISDBHSA-N 2 1 430.557 0.614 20 0 ICADMP CC[NH+](CC)CCOCCn1c(-c2cnccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001615450284 1073093722 /nfs/dbraw/zinc/09/37/22/1073093722.db2.gz MGPWTSMNJFBEDO-SFHVURJKSA-N 2 1 430.557 0.614 20 0 ICADMP CC[NH+](CC)CCOCCn1c(-c2cnccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001615450284 1073093712 /nfs/dbraw/zinc/09/37/12/1073093712.db2.gz MGPWTSMNJFBEDO-SFHVURJKSA-N 2 1 430.557 0.614 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766184 1073117002 /nfs/dbraw/zinc/11/70/02/1073117002.db2.gz ZXLQXKLMCYENJY-MSOLQXFVSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766184 1073116996 /nfs/dbraw/zinc/11/69/96/1073116996.db2.gz ZXLQXKLMCYENJY-MSOLQXFVSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766185 1073116901 /nfs/dbraw/zinc/11/69/01/1073116901.db2.gz ZXLQXKLMCYENJY-QZTJIDSGSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766185 1073116890 /nfs/dbraw/zinc/11/68/90/1073116890.db2.gz ZXLQXKLMCYENJY-QZTJIDSGSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766187 1073116947 /nfs/dbraw/zinc/11/69/47/1073116947.db2.gz ZXLQXKLMCYENJY-ROUUACIJSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766187 1073116942 /nfs/dbraw/zinc/11/69/42/1073116942.db2.gz ZXLQXKLMCYENJY-ROUUACIJSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766189 1073117047 /nfs/dbraw/zinc/11/70/47/1073117047.db2.gz ZXLQXKLMCYENJY-ZWKOTPCHSA-N 2 1 443.600 0.762 20 0 ICADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766189 1073117040 /nfs/dbraw/zinc/11/70/40/1073117040.db2.gz ZXLQXKLMCYENJY-ZWKOTPCHSA-N 2 1 443.600 0.762 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001615769213 1073117722 /nfs/dbraw/zinc/11/77/22/1073117722.db2.gz RSMFNCRULCTLNM-HCXYKTFWSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001615769213 1073117718 /nfs/dbraw/zinc/11/77/18/1073117718.db2.gz RSMFNCRULCTLNM-HCXYKTFWSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001615769213 1073117713 /nfs/dbraw/zinc/11/77/13/1073117713.db2.gz RSMFNCRULCTLNM-HCXYKTFWSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001615769214 1073117618 /nfs/dbraw/zinc/11/76/18/1073117618.db2.gz RSMFNCRULCTLNM-OKYOBFRVSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001615769214 1073117614 /nfs/dbraw/zinc/11/76/14/1073117614.db2.gz RSMFNCRULCTLNM-OKYOBFRVSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001615769214 1073117604 /nfs/dbraw/zinc/11/76/04/1073117604.db2.gz RSMFNCRULCTLNM-OKYOBFRVSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001615769215 1073117800 /nfs/dbraw/zinc/11/78/00/1073117800.db2.gz RSMFNCRULCTLNM-VJANTYMQSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001615769215 1073117797 /nfs/dbraw/zinc/11/77/97/1073117797.db2.gz RSMFNCRULCTLNM-VJANTYMQSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001615769215 1073117795 /nfs/dbraw/zinc/11/77/95/1073117795.db2.gz RSMFNCRULCTLNM-VJANTYMQSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001615769216 1073117859 /nfs/dbraw/zinc/11/78/59/1073117859.db2.gz RSMFNCRULCTLNM-XWSJACJDSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001615769216 1073117857 /nfs/dbraw/zinc/11/78/57/1073117857.db2.gz RSMFNCRULCTLNM-XWSJACJDSA-N 2 1 433.601 0.995 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001615769216 1073117856 /nfs/dbraw/zinc/11/78/56/1073117856.db2.gz RSMFNCRULCTLNM-XWSJACJDSA-N 2 1 433.601 0.995 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001615774314 1073117843 /nfs/dbraw/zinc/11/78/43/1073117843.db2.gz BQMXPRUAJXUTGL-NOYKIMNZSA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001615774314 1073117839 /nfs/dbraw/zinc/11/78/39/1073117839.db2.gz BQMXPRUAJXUTGL-NOYKIMNZSA-N 2 1 436.601 0.988 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615774314 1073117838 /nfs/dbraw/zinc/11/78/38/1073117838.db2.gz BQMXPRUAJXUTGL-NOYKIMNZSA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001615774315 1073117736 /nfs/dbraw/zinc/11/77/36/1073117736.db2.gz BQMXPRUAJXUTGL-PEXPKUBFSA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001615774315 1073117733 /nfs/dbraw/zinc/11/77/33/1073117733.db2.gz BQMXPRUAJXUTGL-PEXPKUBFSA-N 2 1 436.601 0.988 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001615774315 1073117731 /nfs/dbraw/zinc/11/77/31/1073117731.db2.gz BQMXPRUAJXUTGL-PEXPKUBFSA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001615774316 1073117659 /nfs/dbraw/zinc/11/76/59/1073117659.db2.gz BQMXPRUAJXUTGL-SHUHUVMISA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001615774316 1073117656 /nfs/dbraw/zinc/11/76/56/1073117656.db2.gz BQMXPRUAJXUTGL-SHUHUVMISA-N 2 1 436.601 0.988 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615774316 1073117653 /nfs/dbraw/zinc/11/76/53/1073117653.db2.gz BQMXPRUAJXUTGL-SHUHUVMISA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001615774317 1073117783 /nfs/dbraw/zinc/11/77/83/1073117783.db2.gz BQMXPRUAJXUTGL-ZLGIVVLRSA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001615774317 1073117781 /nfs/dbraw/zinc/11/77/81/1073117781.db2.gz BQMXPRUAJXUTGL-ZLGIVVLRSA-N 2 1 436.601 0.988 20 0 ICADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001615774317 1073117778 /nfs/dbraw/zinc/11/77/78/1073117778.db2.gz BQMXPRUAJXUTGL-ZLGIVVLRSA-N 2 1 436.601 0.988 20 0 ICADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC[N@@H+](C)CCOC)CC2)CC1 ZINC001615835735 1073127834 /nfs/dbraw/zinc/12/78/34/1073127834.db2.gz GSQFKVCTPHWARU-UHFFFAOYSA-N 2 1 435.617 0.935 20 0 ICADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC[N@H+](C)CCOC)CC2)CC1 ZINC001615835735 1073127832 /nfs/dbraw/zinc/12/78/32/1073127832.db2.gz GSQFKVCTPHWARU-UHFFFAOYSA-N 2 1 435.617 0.935 20 0 ICADMP CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CC[N@@H+](C)CCOC)CC2)CC1 ZINC001615835735 1073127830 /nfs/dbraw/zinc/12/78/30/1073127830.db2.gz GSQFKVCTPHWARU-UHFFFAOYSA-N 2 1 435.617 0.935 20 0 ICADMP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001615843150 1073129935 /nfs/dbraw/zinc/12/99/35/1073129935.db2.gz SAYHRCVDRKTVES-GUDVDZBRSA-N 2 1 432.617 0.786 20 0 ICADMP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001615843154 1073129773 /nfs/dbraw/zinc/12/97/73/1073129773.db2.gz SAYHRCVDRKTVES-IPMKNSEASA-N 2 1 432.617 0.786 20 0 ICADMP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001615843156 1073130043 /nfs/dbraw/zinc/13/00/43/1073130043.db2.gz SAYHRCVDRKTVES-OTWHNJEPSA-N 2 1 432.617 0.786 20 0 ICADMP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001615843158 1073129954 /nfs/dbraw/zinc/12/99/54/1073129954.db2.gz SAYHRCVDRKTVES-QRVBRYPASA-N 2 1 432.617 0.786 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001615877860 1073137998 /nfs/dbraw/zinc/13/79/98/1073137998.db2.gz ZVNVDIVIOUJWHP-FQEVSTJZSA-N 2 1 446.644 0.957 20 0 ICADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001615877860 1073137988 /nfs/dbraw/zinc/13/79/88/1073137988.db2.gz ZVNVDIVIOUJWHP-FQEVSTJZSA-N 2 1 446.644 0.957 20 0 ICADMP CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001615877860 1073137983 /nfs/dbraw/zinc/13/79/83/1073137983.db2.gz ZVNVDIVIOUJWHP-FQEVSTJZSA-N 2 1 446.644 0.957 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001615877861 1073138252 /nfs/dbraw/zinc/13/82/52/1073138252.db2.gz ZVNVDIVIOUJWHP-HXUWFJFHSA-N 2 1 446.644 0.957 20 0 ICADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001615877861 1073138246 /nfs/dbraw/zinc/13/82/46/1073138246.db2.gz ZVNVDIVIOUJWHP-HXUWFJFHSA-N 2 1 446.644 0.957 20 0 ICADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001615877861 1073138241 /nfs/dbraw/zinc/13/82/41/1073138241.db2.gz ZVNVDIVIOUJWHP-HXUWFJFHSA-N 2 1 446.644 0.957 20 0 ICADMP CCN1CC[NH+](CCCn2c(C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001615889859 1073141589 /nfs/dbraw/zinc/14/15/89/1073141589.db2.gz YCTXDINRRLHUNR-UHFFFAOYSA-N 2 1 434.633 0.605 20 0 ICADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442331 1073208455 /nfs/dbraw/zinc/20/84/55/1073208455.db2.gz TZMCUNJJPGELBE-HOJAQTOUSA-N 2 1 438.594 0.566 20 0 ICADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442332 1073208396 /nfs/dbraw/zinc/20/83/96/1073208396.db2.gz TZMCUNJJPGELBE-MISYRCLQSA-N 2 1 438.594 0.566 20 0 ICADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442333 1073208553 /nfs/dbraw/zinc/20/85/53/1073208553.db2.gz TZMCUNJJPGELBE-RLLQIKCJSA-N 2 1 438.594 0.566 20 0 ICADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001616442334 1073208532 /nfs/dbraw/zinc/20/85/32/1073208532.db2.gz TZMCUNJJPGELBE-YZGWKJHDSA-N 2 1 438.594 0.566 20 0 ICADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001616471429 1073209477 /nfs/dbraw/zinc/20/94/77/1073209477.db2.gz ISPWLGOLPZMRDS-UHFFFAOYSA-N 2 1 439.601 0.988 20 0 ICADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[NH+]1CCCC1 ZINC001616726918 1073223506 /nfs/dbraw/zinc/22/35/06/1073223506.db2.gz QYELUCOZDSRTDJ-AZUAARDMSA-N 2 1 433.601 0.899 20 0 ICADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+]1CCCC1 ZINC001616726919 1073223570 /nfs/dbraw/zinc/22/35/70/1073223570.db2.gz QYELUCOZDSRTDJ-ICSRJNTNSA-N 2 1 433.601 0.899 20 0 ICADMP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[NH+]1CCCC1 ZINC001616726920 1073223513 /nfs/dbraw/zinc/22/35/13/1073223513.db2.gz QYELUCOZDSRTDJ-QUCCMNQESA-N 2 1 433.601 0.899 20 0 ICADMP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[NH+]1CCCC1 ZINC001616726921 1073223577 /nfs/dbraw/zinc/22/35/77/1073223577.db2.gz QYELUCOZDSRTDJ-UYAOXDASSA-N 2 1 433.601 0.899 20 0 ICADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001616765597 1073225567 /nfs/dbraw/zinc/22/55/67/1073225567.db2.gz QUFIUNDOOTWHEY-DENIHFKCSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001616765597 1073225565 /nfs/dbraw/zinc/22/55/65/1073225565.db2.gz QUFIUNDOOTWHEY-DENIHFKCSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001616765600 1073225481 /nfs/dbraw/zinc/22/54/81/1073225481.db2.gz QUFIUNDOOTWHEY-KNQAVFIVSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001616765600 1073225478 /nfs/dbraw/zinc/22/54/78/1073225478.db2.gz QUFIUNDOOTWHEY-KNQAVFIVSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001616765601 1073225450 /nfs/dbraw/zinc/22/54/50/1073225450.db2.gz QUFIUNDOOTWHEY-SIKLNZKXSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001616765601 1073225445 /nfs/dbraw/zinc/22/54/45/1073225445.db2.gz QUFIUNDOOTWHEY-SIKLNZKXSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001616765605 1073225334 /nfs/dbraw/zinc/22/53/34/1073225334.db2.gz QUFIUNDOOTWHEY-UGKGYDQZSA-N 2 1 436.601 0.962 20 0 ICADMP CCOCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001616765605 1073225328 /nfs/dbraw/zinc/22/53/28/1073225328.db2.gz QUFIUNDOOTWHEY-UGKGYDQZSA-N 2 1 436.601 0.962 20 0 ICADMP C[NH+](C)CCSc1nc(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC001617047133 1073249386 /nfs/dbraw/zinc/24/93/86/1073249386.db2.gz JFACPOFJRLIVDT-INIZCTEOSA-N 2 1 427.640 0.862 20 0 ICADMP C[NH+](C)CCSc1nc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC001617047134 1073249319 /nfs/dbraw/zinc/24/93/19/1073249319.db2.gz JFACPOFJRLIVDT-MRXNPFEDSA-N 2 1 427.640 0.862 20 0 ICADMP C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001617680512 1073325855 /nfs/dbraw/zinc/32/58/55/1073325855.db2.gz XQMKYCBGEYPYSD-MSOLQXFVSA-N 2 1 433.601 0.976 20 0 ICADMP C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001617680514 1073325954 /nfs/dbraw/zinc/32/59/54/1073325954.db2.gz XQMKYCBGEYPYSD-QZTJIDSGSA-N 2 1 433.601 0.976 20 0 ICADMP C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001617680515 1073325831 /nfs/dbraw/zinc/32/58/31/1073325831.db2.gz XQMKYCBGEYPYSD-ROUUACIJSA-N 2 1 433.601 0.976 20 0 ICADMP C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001617680516 1073325761 /nfs/dbraw/zinc/32/57/61/1073325761.db2.gz XQMKYCBGEYPYSD-ZWKOTPCHSA-N 2 1 433.601 0.976 20 0 ICADMP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001617698017 1073327608 /nfs/dbraw/zinc/32/76/08/1073327608.db2.gz NJOYHEJRHSHHHN-IBGZPJMESA-N 2 1 449.600 0.393 20 0 ICADMP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001617698038 1073327658 /nfs/dbraw/zinc/32/76/58/1073327658.db2.gz NJOYHEJRHSHHHN-LJQANCHMSA-N 2 1 449.600 0.393 20 0 ICADMP C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001617702401 1073328809 /nfs/dbraw/zinc/32/88/09/1073328809.db2.gz IURYKXJNCPYAPV-JOCHJYFZSA-N 2 1 449.600 0.280 20 0 ICADMP C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001617702402 1073328910 /nfs/dbraw/zinc/32/89/10/1073328910.db2.gz IURYKXJNCPYAPV-QFIPXVFZSA-N 2 1 449.600 0.280 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618469598 1073397469 /nfs/dbraw/zinc/39/74/69/1073397469.db2.gz ZJBMTEQEMXBHPZ-NRFANRHFSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618469598 1073397456 /nfs/dbraw/zinc/39/74/56/1073397456.db2.gz ZJBMTEQEMXBHPZ-NRFANRHFSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001618469598 1073397443 /nfs/dbraw/zinc/39/74/43/1073397443.db2.gz ZJBMTEQEMXBHPZ-NRFANRHFSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001618469598 1073397430 /nfs/dbraw/zinc/39/74/30/1073397430.db2.gz ZJBMTEQEMXBHPZ-NRFANRHFSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618469599 1073397305 /nfs/dbraw/zinc/39/73/05/1073397305.db2.gz ZJBMTEQEMXBHPZ-OAQYLSRUSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618469599 1073397295 /nfs/dbraw/zinc/39/72/95/1073397295.db2.gz ZJBMTEQEMXBHPZ-OAQYLSRUSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001618469599 1073397285 /nfs/dbraw/zinc/39/72/85/1073397285.db2.gz ZJBMTEQEMXBHPZ-OAQYLSRUSA-N 2 1 432.573 0.292 20 0 ICADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001618469599 1073397274 /nfs/dbraw/zinc/39/72/74/1073397274.db2.gz ZJBMTEQEMXBHPZ-OAQYLSRUSA-N 2 1 432.573 0.292 20 0 ICADMP