smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc(I)c1OC ZINC000262113510 530262147 /nfs/dbraw/zinc/26/21/47/530262147.db2.gz KVOXQZNVBMJOPD-CMPLNLGQSA-N 2 1 392.237 0.978 10 0 GCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCCNc1cc[nH+]cc1 ZINC000533812146 1185386802 /nfs/dbraw/zinc/38/68/02/1185386802.db2.gz PFTTTXZSXJKFGR-UHFFFAOYSA-N 2 1 384.488 0.217 10 0 GCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CC1 ZINC000154892867 1186803350 /nfs/dbraw/zinc/80/33/50/1186803350.db2.gz PIINVGHSQNRZEH-UHFFFAOYSA-N 2 1 378.439 0.931 10 0 GCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000439226224 1195299009 /nfs/dbraw/zinc/29/90/09/1195299009.db2.gz WBAFPRWFBPXASU-HNNXBMFYSA-N 2 1 393.536 0.846 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000118992698 1196870510 /nfs/dbraw/zinc/87/05/10/1196870510.db2.gz BUAYOAXAJUHFKP-ROUUACIJSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000118992698 1196870515 /nfs/dbraw/zinc/87/05/15/1196870515.db2.gz BUAYOAXAJUHFKP-ROUUACIJSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000118992698 1196870519 /nfs/dbraw/zinc/87/05/19/1196870519.db2.gz BUAYOAXAJUHFKP-ROUUACIJSA-N 2 1 378.521 0.463 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000175790664 1197185965 /nfs/dbraw/zinc/18/59/65/1197185965.db2.gz VBSOCWSKJLMBQA-WOJBJXKFSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790664 1197185966 /nfs/dbraw/zinc/18/59/66/1197185966.db2.gz VBSOCWSKJLMBQA-WOJBJXKFSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790664 1197185967 /nfs/dbraw/zinc/18/59/67/1197185967.db2.gz VBSOCWSKJLMBQA-WOJBJXKFSA-N 2 1 394.608 0.681 10 0 GCAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177063454 1197189385 /nfs/dbraw/zinc/18/93/85/1197189385.db2.gz PPHMGCGKIXOFEO-CQSZACIVSA-N 2 1 393.454 0.867 10 0 GCAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177063454 1197189386 /nfs/dbraw/zinc/18/93/86/1197189386.db2.gz PPHMGCGKIXOFEO-CQSZACIVSA-N 2 1 393.454 0.867 10 0 GCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000186952384 1197229895 /nfs/dbraw/zinc/22/98/95/1197229895.db2.gz UYMZPCCHGJZYKK-INIZCTEOSA-N 2 1 377.533 0.936 10 0 GCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)c2)CC1 ZINC000188790694 1197233986 /nfs/dbraw/zinc/23/39/86/1197233986.db2.gz PSQJLBGVDLOPEB-UHFFFAOYSA-N 2 1 382.468 0.624 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1=O ZINC000105323297 1197391467 /nfs/dbraw/zinc/39/14/67/1197391467.db2.gz YNMXKZXDMBMQRI-NVXWUHKLSA-N 2 1 376.505 0.716 10 0 GCAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700422 1197512159 /nfs/dbraw/zinc/51/21/59/1197512159.db2.gz CWKUBJDESUDCOE-WAOWUJCRSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700422 1197512162 /nfs/dbraw/zinc/51/21/62/1197512162.db2.gz CWKUBJDESUDCOE-WAOWUJCRSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700422 1197512165 /nfs/dbraw/zinc/51/21/65/1197512165.db2.gz CWKUBJDESUDCOE-WAOWUJCRSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672543073 1199262096 /nfs/dbraw/zinc/26/20/96/1199262096.db2.gz PAKYHNSGQCIXIN-LJQANCHMSA-N 2 1 393.576 0.463 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583017 1199828780 /nfs/dbraw/zinc/82/87/80/1199828780.db2.gz JBXLAVXNQADHMR-OQIJWPOYSA-N 2 1 392.544 0.566 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583017 1199828783 /nfs/dbraw/zinc/82/87/83/1199828783.db2.gz JBXLAVXNQADHMR-OQIJWPOYSA-N 2 1 392.544 0.566 10 0 GCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867322 1199966038 /nfs/dbraw/zinc/96/60/38/1199966038.db2.gz LRSRSGRQQLPBFS-INIZCTEOSA-N 2 1 379.509 0.509 10 0 GCAEMP c1cc(C[NH+]2CCN3CCOC[C@H]3C2)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000543552255 1200114021 /nfs/dbraw/zinc/11/40/21/1200114021.db2.gz QJJFCVGOOWUUPU-FGZHOGPDSA-N 2 1 386.540 0.719 10 0 GCAEMP c1cc(C[NH+]2CCN3CCOC[C@H]3C2)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000543552255 1200114027 /nfs/dbraw/zinc/11/40/27/1200114027.db2.gz QJJFCVGOOWUUPU-FGZHOGPDSA-N 2 1 386.540 0.719 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000676098107 1200488941 /nfs/dbraw/zinc/48/89/41/1200488941.db2.gz ZCQZWBMOZLOMJV-MRXNPFEDSA-N 2 1 376.505 0.574 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000676090544 1200492487 /nfs/dbraw/zinc/49/24/87/1200492487.db2.gz RZQYHYBFCMJVMO-HNNXBMFYSA-N 2 1 378.502 0.864 10 0 GCAEMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000676088615 1200492681 /nfs/dbraw/zinc/49/26/81/1200492681.db2.gz CQLBZVGFUHXSNV-MRXNPFEDSA-N 2 1 398.511 0.946 10 0 GCAEMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000676088615 1200492687 /nfs/dbraw/zinc/49/26/87/1200492687.db2.gz CQLBZVGFUHXSNV-MRXNPFEDSA-N 2 1 398.511 0.946 10 0 GCAEMP COC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH2+]CCO1 ZINC000710685589 1200590813 /nfs/dbraw/zinc/59/08/13/1200590813.db2.gz CYRPOIJBEGNHRR-AZUAARDMSA-N 2 1 377.485 0.399 10 0 GCAEMP O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261925732 638691007 /nfs/dbraw/zinc/69/10/07/638691007.db2.gz LBLPMTCFWPVKDA-KFWWJZLASA-N 2 1 381.489 0.998 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000582025388 1186374590 /nfs/dbraw/zinc/37/45/90/1186374590.db2.gz LZIKRAJBTFZOJT-GUDVDZBRSA-N 2 1 392.544 0.567 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000582025388 1186374595 /nfs/dbraw/zinc/37/45/95/1186374595.db2.gz LZIKRAJBTFZOJT-GUDVDZBRSA-N 2 1 392.544 0.567 10 0 GCAEMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329501548 1186953849 /nfs/dbraw/zinc/95/38/49/1186953849.db2.gz WBICZOUTDQNLPA-ROUUACIJSA-N 2 1 378.517 0.252 10 0 GCAEMP C(C[NH+]1CCCC2(CCC[N@@H+](CCN3CCOCC3)C2)C1)N1CCOCC1 ZINC000517628638 1195202104 /nfs/dbraw/zinc/20/21/04/1195202104.db2.gz JXKOYNDCCFUQAQ-UHFFFAOYSA-N 2 1 380.577 0.829 10 0 GCAEMP C(C[NH+]1CCCC2(CCC[N@H+](CCN3CCOCC3)C2)C1)N1CCOCC1 ZINC000517628638 1195202109 /nfs/dbraw/zinc/20/21/09/1195202109.db2.gz JXKOYNDCCFUQAQ-UHFFFAOYSA-N 2 1 380.577 0.829 10 0 GCAEMP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171386328 1197156646 /nfs/dbraw/zinc/15/66/46/1197156646.db2.gz GEHACECYAZJDJC-UHFFFAOYSA-N 2 1 388.512 0.975 10 0 GCAEMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cn2)CC1 ZINC000124489748 1197353317 /nfs/dbraw/zinc/35/33/17/1197353317.db2.gz JOXJKUMRNYNLLR-GOSISDBHSA-N 2 1 388.516 0.299 10 0 GCAEMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cn2)CC1 ZINC000124489748 1197353322 /nfs/dbraw/zinc/35/33/22/1197353322.db2.gz JOXJKUMRNYNLLR-GOSISDBHSA-N 2 1 388.516 0.299 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)C1 ZINC000248642639 1197479613 /nfs/dbraw/zinc/47/96/13/1197479613.db2.gz ZUBUTOIWJBYPPF-QZTJIDSGSA-N 2 1 382.549 0.873 10 0 GCAEMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000250565603 1197484532 /nfs/dbraw/zinc/48/45/32/1197484532.db2.gz TXIOGGCWYFITTH-MSOLQXFVSA-N 2 1 382.549 0.698 10 0 GCAEMP CCCNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000250565603 1197484533 /nfs/dbraw/zinc/48/45/33/1197484533.db2.gz TXIOGGCWYFITTH-MSOLQXFVSA-N 2 1 382.549 0.698 10 0 GCAEMP O=C(C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000261835983 1197515849 /nfs/dbraw/zinc/51/58/49/1197515849.db2.gz OSHSVZHOQZTGLB-GCKMJXCFSA-N 2 1 389.544 0.062 10 0 GCAEMP O=C(C[C@]1(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261835983 1197515854 /nfs/dbraw/zinc/51/58/54/1197515854.db2.gz OSHSVZHOQZTGLB-GCKMJXCFSA-N 3 1 389.544 0.062 10 0 GCAEMP O=C(C[C@]1(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261835983 1197515857 /nfs/dbraw/zinc/51/58/57/1197515857.db2.gz OSHSVZHOQZTGLB-GCKMJXCFSA-N 3 1 389.544 0.062 10 0 GCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118124066 1199744767 /nfs/dbraw/zinc/74/47/67/1199744767.db2.gz MQQSYUVJOAJGNY-SFHVURJKSA-N 2 1 376.501 0.956 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000676092165 1200486223 /nfs/dbraw/zinc/48/62/23/1200486223.db2.gz ZSRQZODVKLYMDL-KRWDZBQOSA-N 2 1 392.504 0.097 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000580796086 1185364291 /nfs/dbraw/zinc/36/42/91/1185364291.db2.gz GSVGUCOLPRJFHJ-NXWXRZEISA-N 2 1 392.544 0.566 10 0 GCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000119701875 1186357043 /nfs/dbraw/zinc/35/70/43/1186357043.db2.gz OCQJXBCWFNGBBF-UHFFFAOYSA-N 2 1 393.576 0.606 10 0 GCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000119701875 1186357060 /nfs/dbraw/zinc/35/70/60/1186357060.db2.gz OCQJXBCWFNGBBF-UHFFFAOYSA-N 2 1 393.576 0.606 10 0 GCAEMP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119708253 1186362777 /nfs/dbraw/zinc/36/27/77/1186362777.db2.gz UALWHHIBCVZJDG-INIZCTEOSA-N 2 1 386.562 0.523 10 0 GCAEMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119708253 1186362781 /nfs/dbraw/zinc/36/27/81/1186362781.db2.gz UALWHHIBCVZJDG-INIZCTEOSA-N 2 1 386.562 0.523 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000582025390 1186374304 /nfs/dbraw/zinc/37/43/04/1186374304.db2.gz LZIKRAJBTFZOJT-OTWHNJEPSA-N 2 1 392.544 0.567 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000582025390 1186374311 /nfs/dbraw/zinc/37/43/11/1186374311.db2.gz LZIKRAJBTFZOJT-OTWHNJEPSA-N 2 1 392.544 0.567 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(Cc2ccccc2)CC1 ZINC000582100253 1186415834 /nfs/dbraw/zinc/41/58/34/1186415834.db2.gz RYMKPFYSXSDUPV-FQEVSTJZSA-N 2 1 385.468 0.005 10 0 GCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329592850 1186969718 /nfs/dbraw/zinc/96/97/18/1186969718.db2.gz ULUPXMDDYYHYEK-GBESFXJTSA-N 2 1 394.560 0.888 10 0 GCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329592850 1186969719 /nfs/dbraw/zinc/96/97/19/1186969719.db2.gz ULUPXMDDYYHYEK-GBESFXJTSA-N 2 1 394.560 0.888 10 0 GCAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000439497989 1195327192 /nfs/dbraw/zinc/32/71/92/1195327192.db2.gz XQBIBGCOROBHLL-GOSISDBHSA-N 2 1 390.532 0.984 10 0 GCAEMP C[NH+]1CCN(C(=O)CC2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)CC1 ZINC000301969291 1196437698 /nfs/dbraw/zinc/43/76/98/1196437698.db2.gz BMAMLAFJLPMLBG-UHFFFAOYSA-N 2 1 384.488 0.625 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C3CCOCC3)CC2)C1 ZINC000175491621 1197184297 /nfs/dbraw/zinc/18/42/97/1197184297.db2.gz IZXMNTAOOWMKDD-IBGZPJMESA-N 2 1 382.549 0.256 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178484838 1197194334 /nfs/dbraw/zinc/19/43/34/1197194334.db2.gz CKUUPMDGJFATQR-RBUKOAKNSA-N 2 1 382.549 0.114 10 0 GCAEMP C[NH+]1CCN(c2cc(C(=O)Nc3ccccc3C(=O)NCC[NH3+])ccn2)CC1 ZINC000262970977 1197215155 /nfs/dbraw/zinc/21/51/55/1197215155.db2.gz LQORUTPCJWOHHX-UHFFFAOYSA-N 2 1 382.468 0.774 10 0 GCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192181342 1197245877 /nfs/dbraw/zinc/24/58/77/1197245877.db2.gz XJJPQVSICFLRPG-LJQANCHMSA-N 2 1 381.565 0.766 10 0 GCAEMP COCC[N@@H+](C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000126976390 1197359178 /nfs/dbraw/zinc/35/91/78/1197359178.db2.gz DXSHWGBPKOPXLE-DFNIBXOVSA-N 2 1 381.565 0.907 10 0 GCAEMP COCC[NH+](C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000126976390 1197359181 /nfs/dbraw/zinc/35/91/81/1197359181.db2.gz DXSHWGBPKOPXLE-DFNIBXOVSA-N 2 1 381.565 0.907 10 0 GCAEMP COCC[NH+](C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000126976390 1197359184 /nfs/dbraw/zinc/35/91/84/1197359184.db2.gz DXSHWGBPKOPXLE-DFNIBXOVSA-N 2 1 381.565 0.907 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C[NH+]1CCOCC1 ZINC000127215373 1197360457 /nfs/dbraw/zinc/36/04/57/1197360457.db2.gz BXFAACJDHOHEJC-GURQWTFNSA-N 2 1 393.576 0.907 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C[NH+]1CCOCC1 ZINC000127215373 1197360459 /nfs/dbraw/zinc/36/04/59/1197360459.db2.gz BXFAACJDHOHEJC-GURQWTFNSA-N 2 1 393.576 0.907 10 0 GCAEMP COCC[N@@H+]1[C@H](C)CN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000246731090 1197473848 /nfs/dbraw/zinc/47/38/48/1197473848.db2.gz OSPKTHPGXMNJLQ-OTWHNJEPSA-N 2 1 384.565 0.500 10 0 GCAEMP COCC[NH+]1[C@H](C)CN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000246731090 1197473850 /nfs/dbraw/zinc/47/38/50/1197473850.db2.gz OSPKTHPGXMNJLQ-OTWHNJEPSA-N 2 1 384.565 0.500 10 0 GCAEMP COCC[NH+]1[C@H](C)CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000246731090 1197473854 /nfs/dbraw/zinc/47/38/54/1197473854.db2.gz OSPKTHPGXMNJLQ-OTWHNJEPSA-N 2 1 384.565 0.500 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000248070283 1197478271 /nfs/dbraw/zinc/47/82/71/1197478271.db2.gz QGLMNIBBRZLQAG-RCCFBDPRSA-N 2 1 380.533 0.234 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000248070283 1197478275 /nfs/dbraw/zinc/47/82/75/1197478275.db2.gz QGLMNIBBRZLQAG-RCCFBDPRSA-N 2 1 380.533 0.234 10 0 GCAEMP O=C(C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000261835982 1197515613 /nfs/dbraw/zinc/51/56/13/1197515613.db2.gz OSHSVZHOQZTGLB-CKJXQJPGSA-N 2 1 389.544 0.062 10 0 GCAEMP O=C(C[C@]1(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261835982 1197515618 /nfs/dbraw/zinc/51/56/18/1197515618.db2.gz OSHSVZHOQZTGLB-CKJXQJPGSA-N 3 1 389.544 0.062 10 0 GCAEMP O=C(C[C@]1(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261835982 1197515625 /nfs/dbraw/zinc/51/56/25/1197515625.db2.gz OSHSVZHOQZTGLB-CKJXQJPGSA-N 3 1 389.544 0.062 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958076 1197520396 /nfs/dbraw/zinc/52/03/96/1197520396.db2.gz ZZUFHNCXHOUFNP-IKGGRYGDSA-N 2 1 388.516 0.414 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958076 1197520398 /nfs/dbraw/zinc/52/03/98/1197520398.db2.gz ZZUFHNCXHOUFNP-IKGGRYGDSA-N 2 1 388.516 0.414 10 0 GCAEMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000672312804 1199204425 /nfs/dbraw/zinc/20/44/25/1199204425.db2.gz AXJHRLNEQGOVEM-KRWDZBQOSA-N 2 1 378.517 0.444 10 0 GCAEMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000672312804 1199204427 /nfs/dbraw/zinc/20/44/27/1199204427.db2.gz AXJHRLNEQGOVEM-KRWDZBQOSA-N 2 1 378.517 0.444 10 0 GCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000670526925 1200403854 /nfs/dbraw/zinc/40/38/54/1200403854.db2.gz NUGGHRSKGXKDDZ-KRWDZBQOSA-N 2 1 378.517 0.444 10 0 GCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000670526925 1200403860 /nfs/dbraw/zinc/40/38/60/1200403860.db2.gz NUGGHRSKGXKDDZ-KRWDZBQOSA-N 2 1 378.517 0.444 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670527216 1200405936 /nfs/dbraw/zinc/40/59/36/1200405936.db2.gz SWMLCTAEXJIMOH-QZTJIDSGSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670527216 1200405939 /nfs/dbraw/zinc/40/59/39/1200405939.db2.gz SWMLCTAEXJIMOH-QZTJIDSGSA-N 2 1 392.544 0.833 10 0 GCAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000705893662 1200511608 /nfs/dbraw/zinc/51/16/08/1200511608.db2.gz HZKLJZDLWMLDNE-AQNXPRMDSA-N 3 1 375.561 0.644 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000580796089 1185364421 /nfs/dbraw/zinc/36/44/21/1185364421.db2.gz GSVGUCOLPRJFHJ-OQIJWPOYSA-N 2 1 392.544 0.566 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000581570906 1185766595 /nfs/dbraw/zinc/76/65/95/1185766595.db2.gz PNGUTHVQDCJVBA-DDBAPUKQSA-N 2 1 378.517 0.176 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)C1 ZINC000181981943 1197206224 /nfs/dbraw/zinc/20/62/24/1197206224.db2.gz ZUBUTOIWJBYPPF-MSOLQXFVSA-N 2 1 382.549 0.873 10 0 GCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192181337 1197245923 /nfs/dbraw/zinc/24/59/23/1197245923.db2.gz XJJPQVSICFLRPG-IBGZPJMESA-N 2 1 381.565 0.766 10 0 GCAEMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cn2)CC1 ZINC000124489557 1197353224 /nfs/dbraw/zinc/35/32/24/1197353224.db2.gz JOXJKUMRNYNLLR-SFHVURJKSA-N 2 1 388.516 0.299 10 0 GCAEMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cn2)CC1 ZINC000124489557 1197353227 /nfs/dbraw/zinc/35/32/27/1197353227.db2.gz JOXJKUMRNYNLLR-SFHVURJKSA-N 2 1 388.516 0.299 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246857228 1197474496 /nfs/dbraw/zinc/47/44/96/1197474496.db2.gz CKUUPMDGJFATQR-RTBURBONSA-N 2 1 382.549 0.114 10 0 GCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000247646802 1197476934 /nfs/dbraw/zinc/47/69/34/1197476934.db2.gz VKPWKVIEFTYQFO-RTBURBONSA-N 2 1 381.565 0.909 10 0 GCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000247646802 1197476936 /nfs/dbraw/zinc/47/69/36/1197476936.db2.gz VKPWKVIEFTYQFO-RTBURBONSA-N 2 1 381.565 0.909 10 0 GCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000247646802 1197476939 /nfs/dbraw/zinc/47/69/39/1197476939.db2.gz VKPWKVIEFTYQFO-RTBURBONSA-N 2 1 381.565 0.909 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)C1 ZINC000248642642 1197479402 /nfs/dbraw/zinc/47/94/02/1197479402.db2.gz ZUBUTOIWJBYPPF-ZWKOTPCHSA-N 2 1 382.549 0.873 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249353887 1197481399 /nfs/dbraw/zinc/48/13/99/1197481399.db2.gz KUHZPXLXZKJUIG-MSOLQXFVSA-N 2 1 384.565 0.236 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000261651796 1197510348 /nfs/dbraw/zinc/51/03/48/1197510348.db2.gz AOOOWYKJPFDMRF-WJFTUGDTSA-N 2 1 392.544 0.737 10 0 GCAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700420 1197511885 /nfs/dbraw/zinc/51/18/85/1197511885.db2.gz CWKUBJDESUDCOE-UEXGIBASSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700420 1197511889 /nfs/dbraw/zinc/51/18/89/1197511889.db2.gz CWKUBJDESUDCOE-UEXGIBASSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700420 1197511891 /nfs/dbraw/zinc/51/18/91/1197511891.db2.gz CWKUBJDESUDCOE-UEXGIBASSA-N 3 1 393.576 0.557 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958078 1197520211 /nfs/dbraw/zinc/52/02/11/1197520211.db2.gz ZZUFHNCXHOUFNP-ZACQAIPSSA-N 2 1 388.516 0.414 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958078 1197520213 /nfs/dbraw/zinc/52/02/13/1197520213.db2.gz ZZUFHNCXHOUFNP-ZACQAIPSSA-N 2 1 388.516 0.414 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000262249183 1197527940 /nfs/dbraw/zinc/52/79/40/1197527940.db2.gz PVMCKXUNIDKVFL-RTBURBONSA-N 2 1 375.517 0.501 10 0 GCAEMP CS(=O)(=O)C1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]CC1 ZINC000262552668 1197534563 /nfs/dbraw/zinc/53/45/63/1197534563.db2.gz OXKMQAQKMUUKOT-UHFFFAOYSA-N 2 1 395.525 0.302 10 0 GCAEMP C[C@@]12CN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702092138 1200320622 /nfs/dbraw/zinc/32/06/22/1200320622.db2.gz BGUQXONYCFYKLQ-GBESFXJTSA-N 2 1 379.526 0.759 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC000676090547 1200492253 /nfs/dbraw/zinc/49/22/53/1200492253.db2.gz RZQYHYBFCMJVMO-OAHLLOKOSA-N 2 1 378.502 0.864 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000747556667 1205623404 /nfs/dbraw/zinc/62/34/04/1205623404.db2.gz QEFFZGSXKFSGTF-UHFFFAOYSA-N 2 1 391.520 0.463 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246110146 530285062 /nfs/dbraw/zinc/28/50/62/530285062.db2.gz IDONZTIHZKTWHG-BRWVUGGUSA-N 2 1 376.567 0.688 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000250399578 530549941 /nfs/dbraw/zinc/54/99/41/530549941.db2.gz YZMMZQILEGKUJC-BRWVUGGUSA-N 2 1 376.567 0.688 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163423986 1192524383 /nfs/dbraw/zinc/52/43/83/1192524383.db2.gz JCPGBUIMACCWGA-OALUTQOASA-N 2 1 381.565 0.766 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163423986 1192524387 /nfs/dbraw/zinc/52/43/87/1192524387.db2.gz JCPGBUIMACCWGA-OALUTQOASA-N 2 1 381.565 0.766 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000533529652 1184508719 /nfs/dbraw/zinc/50/87/19/1184508719.db2.gz BEAMPZPSDZJPPY-UHFFFAOYSA-N 2 1 389.548 0.654 10 0 GCAEMP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000557249113 1185278653 /nfs/dbraw/zinc/27/86/53/1185278653.db2.gz JITZSCMXVAQWCZ-KRWDZBQOSA-N 2 1 382.549 0.651 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000581570907 1185766086 /nfs/dbraw/zinc/76/60/86/1185766086.db2.gz PNGUTHVQDCJVBA-NRSFXHEJSA-N 2 1 378.517 0.176 10 0 GCAEMP CCOC(=O)[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133571 1196974506 /nfs/dbraw/zinc/97/45/06/1196974506.db2.gz JURDVSDTXYKXQB-MSOLQXFVSA-N 2 1 389.496 0.917 10 0 GCAEMP CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133571 1196974509 /nfs/dbraw/zinc/97/45/09/1196974509.db2.gz JURDVSDTXYKXQB-MSOLQXFVSA-N 2 1 389.496 0.917 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000246512269 1197471899 /nfs/dbraw/zinc/47/18/99/1197471899.db2.gz BUAYOAXAJUHFKP-MSOLQXFVSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000246512269 1197471900 /nfs/dbraw/zinc/47/19/00/1197471900.db2.gz BUAYOAXAJUHFKP-MSOLQXFVSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000246512269 1197471902 /nfs/dbraw/zinc/47/19/02/1197471902.db2.gz BUAYOAXAJUHFKP-MSOLQXFVSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246857197 1197474382 /nfs/dbraw/zinc/47/43/82/1197474382.db2.gz CKUUPMDGJFATQR-MOPGFXCFSA-N 2 1 382.549 0.114 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000261651800 1197510383 /nfs/dbraw/zinc/51/03/83/1197510383.db2.gz AOOOWYKJPFDMRF-ZSYWTGECSA-N 2 1 392.544 0.737 10 0 GCAEMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261889356 1197517290 /nfs/dbraw/zinc/51/72/90/1197517290.db2.gz QHZCXNQNIBVXQQ-MJGOQNOKSA-N 2 1 388.512 0.892 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902317 1197517924 /nfs/dbraw/zinc/51/79/24/1197517924.db2.gz RTJNRMGFXWOKOD-QFBILLFUSA-N 3 1 391.560 0.310 10 0 GCAEMP O=C(CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902317 1197517927 /nfs/dbraw/zinc/51/79/27/1197517927.db2.gz RTJNRMGFXWOKOD-QFBILLFUSA-N 2 1 391.560 0.310 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958074 1197520415 /nfs/dbraw/zinc/52/04/15/1197520415.db2.gz ZZUFHNCXHOUFNP-BBWFWOEESA-N 2 1 388.516 0.414 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958074 1197520417 /nfs/dbraw/zinc/52/04/17/1197520417.db2.gz ZZUFHNCXHOUFNP-BBWFWOEESA-N 2 1 388.516 0.414 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312925 1199204299 /nfs/dbraw/zinc/20/42/99/1199204299.db2.gz LURGZIMUSDLVFV-QZTJIDSGSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312925 1199204305 /nfs/dbraw/zinc/20/43/05/1199204305.db2.gz LURGZIMUSDLVFV-QZTJIDSGSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673013553 1199394413 /nfs/dbraw/zinc/39/44/13/1199394413.db2.gz YTCFIRPRFZRVLT-AOIWGVFYSA-N 2 1 392.544 0.689 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673013553 1199394418 /nfs/dbraw/zinc/39/44/18/1199394418.db2.gz YTCFIRPRFZRVLT-AOIWGVFYSA-N 2 1 392.544 0.689 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000673585735 1199832857 /nfs/dbraw/zinc/83/28/57/1199832857.db2.gz DQGPCZQXZPCTQH-RCCFBDPRSA-N 2 1 378.517 0.177 10 0 GCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670526926 1200404127 /nfs/dbraw/zinc/40/41/27/1200404127.db2.gz NUGGHRSKGXKDDZ-QGZVFWFLSA-N 2 1 378.517 0.444 10 0 GCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000670526926 1200404130 /nfs/dbraw/zinc/40/41/30/1200404130.db2.gz NUGGHRSKGXKDDZ-QGZVFWFLSA-N 2 1 378.517 0.444 10 0 GCAEMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792029499 1205483103 /nfs/dbraw/zinc/48/31/03/1205483103.db2.gz VUWWKWQLFWAUHJ-UHFFFAOYSA-N 2 1 397.564 0.635 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(N3CCCCC3=O)CC2)C1 ZINC000120443546 1186713581 /nfs/dbraw/zinc/71/35/81/1186713581.db2.gz YHMSKIYCEGAIGS-LJQANCHMSA-N 2 1 394.560 0.936 10 0 GCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(N3CCCCC3=O)CC2)C1 ZINC000120443546 1186713585 /nfs/dbraw/zinc/71/35/85/1186713585.db2.gz YHMSKIYCEGAIGS-LJQANCHMSA-N 2 1 394.560 0.936 10 0 GCAEMP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000536018761 1186849290 /nfs/dbraw/zinc/84/92/90/1186849290.db2.gz PURLDDBYBBTXGD-UHFFFAOYSA-N 2 1 397.479 0.545 10 0 GCAEMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NC[C@@H]1CCCO1 ZINC000066243651 1187623224 /nfs/dbraw/zinc/62/32/24/1187623224.db2.gz MMNSPHUBXVYDKV-SFHVURJKSA-N 2 1 389.500 0.931 10 0 GCAEMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(CC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826710 1194239164 /nfs/dbraw/zinc/23/91/64/1194239164.db2.gz NYJSINXYQSYNTR-DKLJTFSYSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826710 1194239166 /nfs/dbraw/zinc/23/91/66/1194239166.db2.gz NYJSINXYQSYNTR-DKLJTFSYSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826710 1194239170 /nfs/dbraw/zinc/23/91/70/1194239170.db2.gz NYJSINXYQSYNTR-DKLJTFSYSA-N 3 1 393.576 0.554 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000439226225 1195298856 /nfs/dbraw/zinc/29/88/56/1195298856.db2.gz WBAFPRWFBPXASU-OAHLLOKOSA-N 2 1 393.536 0.846 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3CC[NH+](CC)C[C@@H]32)CC1=O ZINC000329536109 1196203591 /nfs/dbraw/zinc/20/35/91/1196203591.db2.gz LUGBFUHIZOQELU-ZSYWTGECSA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1=O ZINC000329536109 1196203593 /nfs/dbraw/zinc/20/35/93/1196203593.db2.gz LUGBFUHIZOQELU-ZSYWTGECSA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)CC1=O ZINC000329536109 1196203597 /nfs/dbraw/zinc/20/35/97/1196203597.db2.gz LUGBFUHIZOQELU-ZSYWTGECSA-N 2 1 392.544 0.641 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000175790645 1197185912 /nfs/dbraw/zinc/18/59/12/1197185912.db2.gz VBSOCWSKJLMBQA-VQTJNVASSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790645 1197185913 /nfs/dbraw/zinc/18/59/13/1197185913.db2.gz VBSOCWSKJLMBQA-VQTJNVASSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790645 1197185914 /nfs/dbraw/zinc/18/59/14/1197185914.db2.gz VBSOCWSKJLMBQA-VQTJNVASSA-N 2 1 394.608 0.681 10 0 GCAEMP CCC[N@H+](CC(=O)N1CCNC(=O)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477326 1197336790 /nfs/dbraw/zinc/33/67/90/1197336790.db2.gz DVOLUZSKTYLRQA-UHFFFAOYSA-N 2 1 388.516 0.733 10 0 GCAEMP CCC[N@@H+](CC(=O)N1CCNC(=O)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477326 1197336791 /nfs/dbraw/zinc/33/67/91/1197336791.db2.gz DVOLUZSKTYLRQA-UHFFFAOYSA-N 2 1 388.516 0.733 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000248070275 1197478568 /nfs/dbraw/zinc/47/85/68/1197478568.db2.gz QGLMNIBBRZLQAG-KZNAEPCWSA-N 2 1 380.533 0.234 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000248070275 1197478569 /nfs/dbraw/zinc/47/85/69/1197478569.db2.gz QGLMNIBBRZLQAG-KZNAEPCWSA-N 2 1 380.533 0.234 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902316 1197518163 /nfs/dbraw/zinc/51/81/63/1197518163.db2.gz RTJNRMGFXWOKOD-LPHOPBHVSA-N 3 1 391.560 0.310 10 0 GCAEMP O=C(CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902316 1197518168 /nfs/dbraw/zinc/51/81/68/1197518168.db2.gz RTJNRMGFXWOKOD-LPHOPBHVSA-N 2 1 391.560 0.310 10 0 GCAEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000533814182 1197568690 /nfs/dbraw/zinc/56/86/90/1197568690.db2.gz ZBTWRQBMZBFDTO-KRWDZBQOSA-N 2 1 383.500 0.820 10 0 GCAEMP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312926 1199204105 /nfs/dbraw/zinc/20/41/05/1199204105.db2.gz LURGZIMUSDLVFV-ROUUACIJSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312926 1199204112 /nfs/dbraw/zinc/20/41/12/1199204112.db2.gz LURGZIMUSDLVFV-ROUUACIJSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673013556 1199394576 /nfs/dbraw/zinc/39/45/76/1199394576.db2.gz YTCFIRPRFZRVLT-ZIFCJYIRSA-N 2 1 392.544 0.689 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673013556 1199394581 /nfs/dbraw/zinc/39/45/81/1199394581.db2.gz YTCFIRPRFZRVLT-ZIFCJYIRSA-N 2 1 392.544 0.689 10 0 GCAEMP C[NH+](C)CCN1CCN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000769079133 1202045670 /nfs/dbraw/zinc/04/56/70/1202045670.db2.gz YKSZFFCUGZNZBQ-UHFFFAOYSA-N 2 1 397.564 0.681 10 0 GCAEMP O=C(C[N@@H+]1CCc2ccccc2C1)N1C[C@H](CO)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000095383870 211235437 /nfs/dbraw/zinc/23/54/37/211235437.db2.gz JCZHKPMQCFEHDF-WOJBJXKFSA-N 2 1 387.524 0.568 10 0 GCAEMP O=C(C[N@H+]1CCc2ccccc2C1)N1C[C@H](CO)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000095383870 211235443 /nfs/dbraw/zinc/23/54/43/211235443.db2.gz JCZHKPMQCFEHDF-WOJBJXKFSA-N 2 1 387.524 0.568 10 0 GCAEMP c1cn(C[C@H]2CC[NH+](CC3(C[N@@H+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144762 1189996670 /nfs/dbraw/zinc/99/66/70/1189996670.db2.gz FJWRTDJVMJLHCF-ROUUACIJSA-N 2 1 386.504 0.230 10 0 GCAEMP c1cn(C[C@@H]2CC[NH+](CC3(C[N@@H+]4CC[C@@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144761 1189996747 /nfs/dbraw/zinc/99/67/47/1189996747.db2.gz FJWRTDJVMJLHCF-QZTJIDSGSA-N 2 1 386.504 0.230 10 0 GCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3CC[NH+](CC)C[C@@H]32)CC1=O ZINC000329536105 1196203802 /nfs/dbraw/zinc/20/38/02/1196203802.db2.gz LUGBFUHIZOQELU-CADBVGFASA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1=O ZINC000329536105 1196203804 /nfs/dbraw/zinc/20/38/04/1196203804.db2.gz LUGBFUHIZOQELU-CADBVGFASA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)CC1=O ZINC000329536105 1196203808 /nfs/dbraw/zinc/20/38/08/1196203808.db2.gz LUGBFUHIZOQELU-CADBVGFASA-N 2 1 392.544 0.641 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000175790604 1197185879 /nfs/dbraw/zinc/18/58/79/1197185879.db2.gz VBSOCWSKJLMBQA-PMACEKPBSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790604 1197185880 /nfs/dbraw/zinc/18/58/80/1197185880.db2.gz VBSOCWSKJLMBQA-PMACEKPBSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790604 1197185881 /nfs/dbraw/zinc/18/58/81/1197185881.db2.gz VBSOCWSKJLMBQA-PMACEKPBSA-N 2 1 394.608 0.681 10 0 GCAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177063475 1197189365 /nfs/dbraw/zinc/18/93/65/1197189365.db2.gz PPHMGCGKIXOFEO-AWEZNQCLSA-N 2 1 393.454 0.867 10 0 GCAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177063475 1197189367 /nfs/dbraw/zinc/18/93/67/1197189367.db2.gz PPHMGCGKIXOFEO-AWEZNQCLSA-N 2 1 393.454 0.867 10 0 GCAEMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000178504856 1197194298 /nfs/dbraw/zinc/19/42/98/1197194298.db2.gz ZRGYLJWVNNLCHV-IBGZPJMESA-N 2 1 387.528 0.118 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000189923603 1197239244 /nfs/dbraw/zinc/23/92/44/1197239244.db2.gz RQLYAONEXSFABV-ZWKOTPCHSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000189923603 1197239245 /nfs/dbraw/zinc/23/92/45/1197239245.db2.gz RQLYAONEXSFABV-ZWKOTPCHSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000189923603 1197239246 /nfs/dbraw/zinc/23/92/46/1197239246.db2.gz RQLYAONEXSFABV-ZWKOTPCHSA-N 2 1 384.565 0.236 10 0 GCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127248490 1197360272 /nfs/dbraw/zinc/36/02/72/1197360272.db2.gz XAJODWQUHLQZKY-WRURNZQNSA-N 2 1 392.592 0.575 10 0 GCAEMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127248294 1197360358 /nfs/dbraw/zinc/36/03/58/1197360358.db2.gz XAJODWQUHLQZKY-GURQWTFNSA-N 2 1 392.592 0.575 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C[NH+]1CCOCC1 ZINC000127215608 1197360395 /nfs/dbraw/zinc/36/03/95/1197360395.db2.gz BXFAACJDHOHEJC-WRURNZQNSA-N 2 1 393.576 0.907 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C[NH+]1CCOCC1 ZINC000127215608 1197360400 /nfs/dbraw/zinc/36/04/00/1197360400.db2.gz BXFAACJDHOHEJC-WRURNZQNSA-N 2 1 393.576 0.907 10 0 GCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1=O ZINC000105323299 1197391283 /nfs/dbraw/zinc/39/12/83/1197391283.db2.gz YNMXKZXDMBMQRI-WBVHZDCISA-N 2 1 376.505 0.716 10 0 GCAEMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261889352 1197517468 /nfs/dbraw/zinc/51/74/68/1197517468.db2.gz QHZCXNQNIBVXQQ-HKUYNNGSSA-N 2 1 388.512 0.892 10 0 GCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118124068 1199744758 /nfs/dbraw/zinc/74/47/58/1199744758.db2.gz MQQSYUVJOAJGNY-GOSISDBHSA-N 2 1 376.501 0.956 10 0 GCAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670527218 1200406036 /nfs/dbraw/zinc/40/60/36/1200406036.db2.gz SWMLCTAEXJIMOH-ZWKOTPCHSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000670527218 1200406037 /nfs/dbraw/zinc/40/60/37/1200406037.db2.gz SWMLCTAEXJIMOH-ZWKOTPCHSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000676088611 1200493171 /nfs/dbraw/zinc/49/31/71/1200493171.db2.gz CQLBZVGFUHXSNV-INIZCTEOSA-N 2 1 398.511 0.946 10 0 GCAEMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000676088611 1200493176 /nfs/dbraw/zinc/49/31/76/1200493176.db2.gz CQLBZVGFUHXSNV-INIZCTEOSA-N 2 1 398.511 0.946 10 0 GCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573045737 1201019001 /nfs/dbraw/zinc/01/90/01/1201019001.db2.gz XYAAXMJIHRAXSP-DOTOQJQBSA-N 2 1 388.516 1.174 10 0 GCAEMP CC(=O)c1ccc(N2CCN(C(=O)CN3CC[NH2+]CC[NH2+]CC3)CC2)c(F)c1 ZINC000923462533 1201021351 /nfs/dbraw/zinc/02/13/51/1201021351.db2.gz KBUQCGQYMUQZRH-UHFFFAOYSA-N 2 1 391.491 0.172 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163424202 1192524453 /nfs/dbraw/zinc/52/44/53/1192524453.db2.gz JCPGBUIMACCWGA-RBUKOAKNSA-N 2 1 381.565 0.766 10 0 GCAEMP C[C@@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163424202 1192524458 /nfs/dbraw/zinc/52/44/58/1192524458.db2.gz JCPGBUIMACCWGA-RBUKOAKNSA-N 2 1 381.565 0.766 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000581570905 1185766344 /nfs/dbraw/zinc/76/63/44/1185766344.db2.gz PNGUTHVQDCJVBA-BGTYHANMSA-N 2 1 378.517 0.176 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000516674148 1195082459 /nfs/dbraw/zinc/08/24/59/1195082459.db2.gz XBOWQKHUCZCMPE-NUJGCVRESA-N 2 1 378.517 0.299 10 0 GCAEMP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000179286063 1197197615 /nfs/dbraw/zinc/19/76/15/1197197615.db2.gz KVHVJSZLHYCBJO-HXUWFJFHSA-N 2 1 394.608 0.824 10 0 GCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000186952366 1197229702 /nfs/dbraw/zinc/22/97/02/1197229702.db2.gz UYMZPCCHGJZYKK-MRXNPFEDSA-N 2 1 377.533 0.936 10 0 GCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000119681021 1197340774 /nfs/dbraw/zinc/34/07/74/1197340774.db2.gz AWTZRMKQRGTBKT-WRURNZQNSA-N 2 1 377.577 0.782 10 0 GCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119681021 1197340777 /nfs/dbraw/zinc/34/07/77/1197340777.db2.gz AWTZRMKQRGTBKT-WRURNZQNSA-N 2 1 377.577 0.782 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000195316910 1197400888 /nfs/dbraw/zinc/40/08/88/1197400888.db2.gz IJSJIJGNYDZFLI-OTWHNJEPSA-N 2 1 384.565 0.500 10 0 GCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000245695548 1197419660 /nfs/dbraw/zinc/41/96/60/1197419660.db2.gz YBKHIICTROIHMF-SJLPKXTDSA-N 2 1 384.484 0.945 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312924 1199203991 /nfs/dbraw/zinc/20/39/91/1199203991.db2.gz LURGZIMUSDLVFV-MSOLQXFVSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312924 1199203995 /nfs/dbraw/zinc/20/39/95/1199203995.db2.gz LURGZIMUSDLVFV-MSOLQXFVSA-N 2 1 392.544 0.833 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672543068 1199262512 /nfs/dbraw/zinc/26/25/12/1199262512.db2.gz ORSQNDZWQDXBSQ-SFHVURJKSA-N 2 1 393.576 0.509 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672543068 1199262520 /nfs/dbraw/zinc/26/25/20/1199262520.db2.gz ORSQNDZWQDXBSQ-SFHVURJKSA-N 2 1 393.576 0.509 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583019 1199829033 /nfs/dbraw/zinc/82/90/33/1199829033.db2.gz JBXLAVXNQADHMR-YSHGAJCASA-N 2 1 392.544 0.566 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583019 1199829037 /nfs/dbraw/zinc/82/90/37/1199829037.db2.gz JBXLAVXNQADHMR-YSHGAJCASA-N 2 1 392.544 0.566 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000673585733 1199832481 /nfs/dbraw/zinc/83/24/81/1199832481.db2.gz DQGPCZQXZPCTQH-KURKYZTESA-N 2 1 378.517 0.177 10 0 GCAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc(I)c1OC ZINC000262113512 530262331 /nfs/dbraw/zinc/26/23/31/530262331.db2.gz KVOXQZNVBMJOPD-JQWIXIFHSA-N 2 1 392.237 0.978 10 0 GCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc(I)c1OC ZINC000262113516 530262406 /nfs/dbraw/zinc/26/24/06/530262406.db2.gz KVOXQZNVBMJOPD-ZYHUDNBSSA-N 2 1 392.237 0.978 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000581570908 1185766230 /nfs/dbraw/zinc/76/62/30/1185766230.db2.gz PNGUTHVQDCJVBA-VDHUWJSZSA-N 2 1 378.517 0.176 10 0 GCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc2F)CC1 ZINC000236995277 1186437337 /nfs/dbraw/zinc/43/73/37/1186437337.db2.gz SRZCYBMKIFDZMH-UHFFFAOYSA-N 2 1 377.508 0.993 10 0 GCAEMP C[C@@H]1C[C@H](N(C)C(=O)COCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000122788496 1186763816 /nfs/dbraw/zinc/76/38/16/1186763816.db2.gz PLMBJLMRNCUIPE-BRSBDYLESA-N 2 1 382.549 0.885 10 0 GCAEMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329501546 1186953834 /nfs/dbraw/zinc/95/38/34/1186953834.db2.gz WBICZOUTDQNLPA-MSOLQXFVSA-N 2 1 378.517 0.252 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000516674149 1195082350 /nfs/dbraw/zinc/08/23/50/1195082350.db2.gz XBOWQKHUCZCMPE-RYRKJORJSA-N 2 1 378.517 0.299 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000172243286 1197159928 /nfs/dbraw/zinc/15/99/28/1197159928.db2.gz HCPLHUSIPJRUEF-QGZVFWFLSA-N 2 1 380.533 0.546 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000246512279 1197471982 /nfs/dbraw/zinc/47/19/82/1197471982.db2.gz BUAYOAXAJUHFKP-QZTJIDSGSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000246512279 1197471987 /nfs/dbraw/zinc/47/19/87/1197471987.db2.gz BUAYOAXAJUHFKP-QZTJIDSGSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000246512279 1197471992 /nfs/dbraw/zinc/47/19/92/1197471992.db2.gz BUAYOAXAJUHFKP-QZTJIDSGSA-N 2 1 378.521 0.463 10 0 GCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCC[NH+]2CCOCC2)CC1=O ZINC000246558907 1197472751 /nfs/dbraw/zinc/47/27/51/1197472751.db2.gz YYOPPUHTZFNSSH-ROUUACIJSA-N 2 1 380.533 0.548 10 0 GCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000247646794 1197476917 /nfs/dbraw/zinc/47/69/17/1197476917.db2.gz VKPWKVIEFTYQFO-MOPGFXCFSA-N 2 1 381.565 0.909 10 0 GCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000247646794 1197476918 /nfs/dbraw/zinc/47/69/18/1197476918.db2.gz VKPWKVIEFTYQFO-MOPGFXCFSA-N 2 1 381.565 0.909 10 0 GCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000247646794 1197476921 /nfs/dbraw/zinc/47/69/21/1197476921.db2.gz VKPWKVIEFTYQFO-MOPGFXCFSA-N 2 1 381.565 0.909 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672543072 1199262353 /nfs/dbraw/zinc/26/23/53/1199262353.db2.gz PAKYHNSGQCIXIN-IBGZPJMESA-N 2 1 393.576 0.463 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000673585734 1199832450 /nfs/dbraw/zinc/83/24/50/1199832450.db2.gz DQGPCZQXZPCTQH-KZNAEPCWSA-N 2 1 378.517 0.177 10 0 GCAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092513 1200484678 /nfs/dbraw/zinc/48/46/78/1200484678.db2.gz KRGPAXNYJASPPG-XHSDSOJGSA-N 2 1 378.521 0.866 10 0 GCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc(I)c1OC ZINC000262113514 530262379 /nfs/dbraw/zinc/26/23/79/530262379.db2.gz KVOXQZNVBMJOPD-PWSUYJOCSA-N 2 1 392.237 0.978 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000250399583 530550039 /nfs/dbraw/zinc/55/00/39/530550039.db2.gz YZMMZQILEGKUJC-YESZJQIVSA-N 2 1 376.567 0.688 10 0 GCAEMP CCC[N@@H+]1CCCn2nc(CNC(=O)C3CC[NH+](CC(N)=O)CC3)cc2C1 ZINC000082096986 208080730 /nfs/dbraw/zinc/08/07/30/208080730.db2.gz RUBIYOHNTOCFFA-UHFFFAOYSA-N 2 1 376.505 0.312 10 0 GCAEMP CCC[N@H+]1CCCn2nc(CNC(=O)C3CC[NH+](CC(N)=O)CC3)cc2C1 ZINC000082096986 208080737 /nfs/dbraw/zinc/08/07/37/208080737.db2.gz RUBIYOHNTOCFFA-UHFFFAOYSA-N 2 1 376.505 0.312 10 0 GCAEMP CCN1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2ccncn2)CC1 ZINC000279259835 1192495506 /nfs/dbraw/zinc/49/55/06/1192495506.db2.gz HYVCOHGMHRLPQP-ULQDDVLXSA-N 2 1 378.496 0.878 10 0 GCAEMP CN(C)c1nc(N2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CC2)cc[nH+]1 ZINC000512529164 1192837463 /nfs/dbraw/zinc/83/74/63/1192837463.db2.gz PPHFDJWMRSBUSB-UHFFFAOYSA-N 2 1 399.499 0.840 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000580796093 1185364907 /nfs/dbraw/zinc/36/49/07/1185364907.db2.gz GSVGUCOLPRJFHJ-YSHGAJCASA-N 2 1 392.544 0.566 10 0 GCAEMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329501547 1186953603 /nfs/dbraw/zinc/95/36/03/1186953603.db2.gz WBICZOUTDQNLPA-QZTJIDSGSA-N 2 1 378.517 0.252 10 0 GCAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000439497990 1195327227 /nfs/dbraw/zinc/32/72/27/1195327227.db2.gz XQBIBGCOROBHLL-SFHVURJKSA-N 2 1 390.532 0.984 10 0 GCAEMP CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133574 1196974794 /nfs/dbraw/zinc/97/47/94/1196974794.db2.gz JURDVSDTXYKXQB-ZWKOTPCHSA-N 2 1 389.496 0.917 10 0 GCAEMP CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133574 1196974797 /nfs/dbraw/zinc/97/47/97/1196974797.db2.gz JURDVSDTXYKXQB-ZWKOTPCHSA-N 2 1 389.496 0.917 10 0 GCAEMP CC[C@H](CO)N1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000179397040 1197196525 /nfs/dbraw/zinc/19/65/25/1197196525.db2.gz QGLMNIBBRZLQAG-KSZLIROESA-N 2 1 380.533 0.234 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000179397040 1197196527 /nfs/dbraw/zinc/19/65/27/1197196527.db2.gz QGLMNIBBRZLQAG-KSZLIROESA-N 2 1 380.533 0.234 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000179397040 1197196529 /nfs/dbraw/zinc/19/65/29/1197196529.db2.gz QGLMNIBBRZLQAG-KSZLIROESA-N 2 1 380.533 0.234 10 0 GCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000179472711 1197198132 /nfs/dbraw/zinc/19/81/32/1197198132.db2.gz YBKHIICTROIHMF-WMZOPIPTSA-N 2 1 384.484 0.945 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000114456682 1197336567 /nfs/dbraw/zinc/33/65/67/1197336567.db2.gz AMCPYNWKECPGHW-UHFFFAOYSA-N 2 1 376.549 0.917 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000114456682 1197336571 /nfs/dbraw/zinc/33/65/71/1197336571.db2.gz AMCPYNWKECPGHW-UHFFFAOYSA-N 2 1 376.549 0.917 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000114456682 1197336573 /nfs/dbraw/zinc/33/65/73/1197336573.db2.gz AMCPYNWKECPGHW-UHFFFAOYSA-N 2 1 376.549 0.917 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000114456682 1197336578 /nfs/dbraw/zinc/33/65/78/1197336578.db2.gz AMCPYNWKECPGHW-UHFFFAOYSA-N 2 1 376.549 0.917 10 0 GCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000126304121 1197357590 /nfs/dbraw/zinc/35/75/90/1197357590.db2.gz JCALPULIOJPHLP-DFNIBXOVSA-N 2 1 381.565 0.907 10 0 GCAEMP COCCC[NH+](C)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000126304121 1197357593 /nfs/dbraw/zinc/35/75/93/1197357593.db2.gz JCALPULIOJPHLP-DFNIBXOVSA-N 2 1 381.565 0.907 10 0 GCAEMP COCCC[NH+](C)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000126304121 1197357597 /nfs/dbraw/zinc/35/75/97/1197357597.db2.gz JCALPULIOJPHLP-DFNIBXOVSA-N 2 1 381.565 0.907 10 0 GCAEMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261889358 1197517457 /nfs/dbraw/zinc/51/74/57/1197517457.db2.gz QHZCXNQNIBVXQQ-PKOBYXMFSA-N 2 1 388.512 0.892 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000262249158 1197527911 /nfs/dbraw/zinc/52/79/11/1197527911.db2.gz PVMCKXUNIDKVFL-MOPGFXCFSA-N 2 1 375.517 0.501 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000262249167 1197527961 /nfs/dbraw/zinc/52/79/61/1197527961.db2.gz PVMCKXUNIDKVFL-OALUTQOASA-N 2 1 375.517 0.501 10 0 GCAEMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312927 1199203836 /nfs/dbraw/zinc/20/38/36/1199203836.db2.gz LURGZIMUSDLVFV-ZWKOTPCHSA-N 2 1 392.544 0.833 10 0 GCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672312927 1199203839 /nfs/dbraw/zinc/20/38/39/1199203839.db2.gz LURGZIMUSDLVFV-ZWKOTPCHSA-N 2 1 392.544 0.833 10 0 GCAEMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000672312805 1199203933 /nfs/dbraw/zinc/20/39/33/1199203933.db2.gz AXJHRLNEQGOVEM-QGZVFWFLSA-N 2 1 378.517 0.444 10 0 GCAEMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000672312805 1199203937 /nfs/dbraw/zinc/20/39/37/1199203937.db2.gz AXJHRLNEQGOVEM-QGZVFWFLSA-N 2 1 378.517 0.444 10 0 GCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867327 1199965796 /nfs/dbraw/zinc/96/57/96/1199965796.db2.gz LRSRSGRQQLPBFS-MRXNPFEDSA-N 2 1 379.509 0.509 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000676088668 1200492644 /nfs/dbraw/zinc/49/26/44/1200492644.db2.gz CWQXXVGURUFEOZ-QGZVFWFLSA-N 2 1 384.484 0.774 10 0 GCAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000705893741 1200511881 /nfs/dbraw/zinc/51/18/81/1200511881.db2.gz HZKLJZDLWMLDNE-VAMGGRTRSA-N 3 1 375.561 0.644 10 0 GCAEMP COC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH2+]CCO1 ZINC000710685590 1200590767 /nfs/dbraw/zinc/59/07/67/1200590767.db2.gz CYRPOIJBEGNHRR-ICSRJNTNSA-N 2 1 377.485 0.399 10 0 GCAEMP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH2+]CCO1 ZINC000710685591 1200591171 /nfs/dbraw/zinc/59/11/71/1200591171.db2.gz CYRPOIJBEGNHRR-QUCCMNQESA-N 2 1 377.485 0.399 10 0 GCAEMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3cccc4ncccc34)CCN2C1=O ZINC000014533254 570848171 /nfs/dbraw/zinc/84/81/71/570848171.db2.gz JRJAPKDRIGXGFS-RBUKOAKNSA-N 2 1 381.480 0.875 10 0 GCAEMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3cccc4ncccc34)CCN2C1=O ZINC000014533254 570848172 /nfs/dbraw/zinc/84/81/72/570848172.db2.gz JRJAPKDRIGXGFS-RBUKOAKNSA-N 2 1 381.480 0.875 10 0 GCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCCO1 ZINC000683381489 1184621142 /nfs/dbraw/zinc/62/11/42/1184621142.db2.gz IZDNXTHINFFEIW-OAHLLOKOSA-N 2 1 380.493 0.000 10 0 GCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCCO1 ZINC000683381488 1184621308 /nfs/dbraw/zinc/62/13/08/1184621308.db2.gz IZDNXTHINFFEIW-HNNXBMFYSA-N 2 1 380.493 0.000 10 0 GCAEMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000683878190 1185174102 /nfs/dbraw/zinc/17/41/02/1185174102.db2.gz MSDPSQABERQDSY-OAHLLOKOSA-N 2 1 392.504 0.095 10 0 GCAEMP O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(Cc2ccccc2)CC1 ZINC000582100254 1186415803 /nfs/dbraw/zinc/41/58/03/1186415803.db2.gz RYMKPFYSXSDUPV-HXUWFJFHSA-N 2 1 385.468 0.005 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000583157677 1186784111 /nfs/dbraw/zinc/78/41/11/1186784111.db2.gz ATPJSCBQUBFFOI-LJQANCHMSA-N 2 1 395.592 0.613 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000583157677 1186784113 /nfs/dbraw/zinc/78/41/13/1186784113.db2.gz ATPJSCBQUBFFOI-LJQANCHMSA-N 2 1 395.592 0.613 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1 ZINC000155563312 1186820510 /nfs/dbraw/zinc/82/05/10/1186820510.db2.gz ICMBKIZXSXZZBN-MRXNPFEDSA-N 2 1 384.565 0.990 10 0 GCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2F)CC1 ZINC000170920199 1187811495 /nfs/dbraw/zinc/81/14/95/1187811495.db2.gz YLPXFGRYXNAJAN-UHFFFAOYSA-N 2 1 377.508 0.945 10 0 GCAEMP c1c[nH+]c(N2CCN(c3nccnc3N3CCN(c4[nH]cc[nH+]4)CC3)CC2)[nH]1 ZINC000685916904 1187844970 /nfs/dbraw/zinc/84/49/70/1187844970.db2.gz WXJSUMXYIYFKGU-UHFFFAOYSA-N 2 1 380.460 0.576 10 0 GCAEMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329645587 1196215029 /nfs/dbraw/zinc/21/50/29/1196215029.db2.gz DJNBBOOEDUQEFJ-KZNAEPCWSA-N 2 1 380.533 0.641 10 0 GCAEMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645587 1196215033 /nfs/dbraw/zinc/21/50/33/1196215033.db2.gz DJNBBOOEDUQEFJ-KZNAEPCWSA-N 2 1 380.533 0.641 10 0 GCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000527353007 1196781380 /nfs/dbraw/zinc/78/13/80/1196781380.db2.gz BKYTZROTFBFTHE-UHFFFAOYSA-N 2 1 389.500 0.423 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000118992587 1196870685 /nfs/dbraw/zinc/87/06/85/1196870685.db2.gz BUAYOAXAJUHFKP-ZWKOTPCHSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000118992587 1196870691 /nfs/dbraw/zinc/87/06/91/1196870691.db2.gz BUAYOAXAJUHFKP-ZWKOTPCHSA-N 2 1 378.521 0.463 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000118992587 1196870697 /nfs/dbraw/zinc/87/06/97/1196870697.db2.gz BUAYOAXAJUHFKP-ZWKOTPCHSA-N 2 1 378.521 0.463 10 0 GCAEMP CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133573 1196974825 /nfs/dbraw/zinc/97/48/25/1196974825.db2.gz JURDVSDTXYKXQB-ROUUACIJSA-N 2 1 389.496 0.917 10 0 GCAEMP CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133573 1196974828 /nfs/dbraw/zinc/97/48/28/1196974828.db2.gz JURDVSDTXYKXQB-ROUUACIJSA-N 2 1 389.496 0.917 10 0 GCAEMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000178504872 1197194383 /nfs/dbraw/zinc/19/43/83/1197194383.db2.gz ZRGYLJWVNNLCHV-LJQANCHMSA-N 2 1 387.528 0.118 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC1=O ZINC000246465589 1197470973 /nfs/dbraw/zinc/47/09/73/1197470973.db2.gz PXYQLKYOYRHRBH-OKZBNKHCSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1=O ZINC000246465589 1197470974 /nfs/dbraw/zinc/47/09/74/1197470974.db2.gz PXYQLKYOYRHRBH-OKZBNKHCSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1=O ZINC000246465589 1197470975 /nfs/dbraw/zinc/47/09/75/1197470975.db2.gz PXYQLKYOYRHRBH-OKZBNKHCSA-N 2 1 380.533 0.546 10 0 GCAEMP CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000250565607 1197484600 /nfs/dbraw/zinc/48/46/00/1197484600.db2.gz TXIOGGCWYFITTH-ROUUACIJSA-N 2 1 382.549 0.698 10 0 GCAEMP CCCNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000250565607 1197484602 /nfs/dbraw/zinc/48/46/02/1197484602.db2.gz TXIOGGCWYFITTH-ROUUACIJSA-N 2 1 382.549 0.698 10 0 GCAEMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262091565 1197524677 /nfs/dbraw/zinc/52/46/77/1197524677.db2.gz LKLZZOOFCZQXQW-AWEZNQCLSA-N 2 1 378.439 0.931 10 0 GCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000533814183 1197568468 /nfs/dbraw/zinc/56/84/68/1197568468.db2.gz ZBTWRQBMZBFDTO-QGZVFWFLSA-N 2 1 383.500 0.820 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673013554 1199394235 /nfs/dbraw/zinc/39/42/35/1199394235.db2.gz YTCFIRPRFZRVLT-LMMKCTJWSA-N 2 1 392.544 0.689 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673013554 1199394241 /nfs/dbraw/zinc/39/42/41/1199394241.db2.gz YTCFIRPRFZRVLT-LMMKCTJWSA-N 2 1 392.544 0.689 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000673585732 1199832777 /nfs/dbraw/zinc/83/27/77/1199832777.db2.gz DQGPCZQXZPCTQH-KSZLIROESA-N 2 1 378.517 0.177 10 0 GCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673869243 1199963062 /nfs/dbraw/zinc/96/30/62/1199963062.db2.gz NUJDHSJTOCXXJL-UHFFFAOYSA-N 2 1 379.509 0.557 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000676095415 1200487077 /nfs/dbraw/zinc/48/70/77/1200487077.db2.gz HIGYTVFHOATHRC-UHFFFAOYSA-N 2 1 376.505 0.860 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000676098106 1200488491 /nfs/dbraw/zinc/48/84/91/1200488491.db2.gz ZCQZWBMOZLOMJV-INIZCTEOSA-N 2 1 376.505 0.574 10 0 GCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573045740 1201006007 /nfs/dbraw/zinc/00/60/07/1201006007.db2.gz XYAAXMJIHRAXSP-WBVHZDCISA-N 2 1 388.516 1.174 10 0 GCAEMP CC[NH+]1CCN(CCNC(=O)CC2CCN(c3cc[nH+]c(NC)n3)CC2)CC1 ZINC000065282096 136162381 /nfs/dbraw/zinc/16/23/81/136162381.db2.gz FCLZJFHMOSGVKY-UHFFFAOYSA-N 2 1 389.548 0.879 10 0 GCAEMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)c(=O)n2C ZINC000157117999 1186349350 /nfs/dbraw/zinc/34/93/50/1186349350.db2.gz DDBWSNGBOIOCLZ-INIZCTEOSA-N 2 1 388.516 0.774 10 0 GCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)c(=O)n2C ZINC000157117999 1186349354 /nfs/dbraw/zinc/34/93/54/1186349354.db2.gz DDBWSNGBOIOCLZ-INIZCTEOSA-N 2 1 388.516 0.774 10 0 GCAEMP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119708391 1186364034 /nfs/dbraw/zinc/36/40/34/1186364034.db2.gz UALWHHIBCVZJDG-MRXNPFEDSA-N 2 1 386.562 0.523 10 0 GCAEMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119708391 1186364038 /nfs/dbraw/zinc/36/40/38/1186364038.db2.gz UALWHHIBCVZJDG-MRXNPFEDSA-N 2 1 386.562 0.523 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000582025389 1186374247 /nfs/dbraw/zinc/37/42/47/1186374247.db2.gz LZIKRAJBTFZOJT-IPMKNSEASA-N 2 1 392.544 0.567 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000582025389 1186374250 /nfs/dbraw/zinc/37/42/50/1186374250.db2.gz LZIKRAJBTFZOJT-IPMKNSEASA-N 2 1 392.544 0.567 10 0 GCAEMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NC[C@H]1CCCO1 ZINC000066243652 1187623129 /nfs/dbraw/zinc/62/31/29/1187623129.db2.gz MMNSPHUBXVYDKV-GOSISDBHSA-N 2 1 389.500 0.931 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC[NH2+]C2)CC[N@H+]1C ZINC000261826713 1194239031 /nfs/dbraw/zinc/23/90/31/1194239031.db2.gz NYJSINXYQSYNTR-NAIAOIPJSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826713 1194239036 /nfs/dbraw/zinc/23/90/36/1194239036.db2.gz NYJSINXYQSYNTR-NAIAOIPJSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826713 1194239042 /nfs/dbraw/zinc/23/90/42/1194239042.db2.gz NYJSINXYQSYNTR-NAIAOIPJSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000516674150 1195082299 /nfs/dbraw/zinc/08/22/99/1195082299.db2.gz XBOWQKHUCZCMPE-SOLBZPMBSA-N 2 1 378.517 0.299 10 0 GCAEMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329645581 1196214868 /nfs/dbraw/zinc/21/48/68/1196214868.db2.gz DJNBBOOEDUQEFJ-FGTMMUONSA-N 2 1 380.533 0.641 10 0 GCAEMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645581 1196214869 /nfs/dbraw/zinc/21/48/69/1196214869.db2.gz DJNBBOOEDUQEFJ-FGTMMUONSA-N 2 1 380.533 0.641 10 0 GCAEMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329645591 1196214906 /nfs/dbraw/zinc/21/49/06/1196214906.db2.gz DJNBBOOEDUQEFJ-SQNIBIBYSA-N 2 1 380.533 0.641 10 0 GCAEMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645591 1196214909 /nfs/dbraw/zinc/21/49/09/1196214909.db2.gz DJNBBOOEDUQEFJ-SQNIBIBYSA-N 2 1 380.533 0.641 10 0 GCAEMP CCOC(=O)[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133572 1196974600 /nfs/dbraw/zinc/97/46/00/1196974600.db2.gz JURDVSDTXYKXQB-QZTJIDSGSA-N 2 1 389.496 0.917 10 0 GCAEMP CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC12COC2 ZINC000451133572 1196974602 /nfs/dbraw/zinc/97/46/02/1196974602.db2.gz JURDVSDTXYKXQB-QZTJIDSGSA-N 2 1 389.496 0.917 10 0 GCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173698660 1197178706 /nfs/dbraw/zinc/17/87/06/1197178706.db2.gz ZAEHIHYUAPDQTK-SFHVURJKSA-N 2 1 385.516 0.644 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)C1 ZINC000181981961 1197206261 /nfs/dbraw/zinc/20/62/61/1197206261.db2.gz ZUBUTOIWJBYPPF-ROUUACIJSA-N 2 1 382.549 0.873 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000189923586 1197239162 /nfs/dbraw/zinc/23/91/62/1197239162.db2.gz RQLYAONEXSFABV-QZTJIDSGSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000189923586 1197239165 /nfs/dbraw/zinc/23/91/65/1197239165.db2.gz RQLYAONEXSFABV-QZTJIDSGSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000189923586 1197239168 /nfs/dbraw/zinc/23/91/68/1197239168.db2.gz RQLYAONEXSFABV-QZTJIDSGSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+](C)CCCO)CC2)C1 ZINC000115547125 1197337072 /nfs/dbraw/zinc/33/70/72/1197337072.db2.gz XYBMZCVRSLHYAA-IBGZPJMESA-N 2 1 384.565 0.238 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@H+](C)CCCO)CC2)C1 ZINC000115547125 1197337075 /nfs/dbraw/zinc/33/70/75/1197337075.db2.gz XYBMZCVRSLHYAA-IBGZPJMESA-N 2 1 384.565 0.238 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000115547125 1197337077 /nfs/dbraw/zinc/33/70/77/1197337077.db2.gz XYBMZCVRSLHYAA-IBGZPJMESA-N 2 1 384.565 0.238 10 0 GCAEMP COCC[N@@H+]1[C@H](C)CN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000128918564 1197364563 /nfs/dbraw/zinc/36/45/63/1197364563.db2.gz OSPKTHPGXMNJLQ-CEXWTWQISA-N 2 1 384.565 0.500 10 0 GCAEMP COCC[NH+]1[C@H](C)CN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000128918564 1197364570 /nfs/dbraw/zinc/36/45/70/1197364570.db2.gz OSPKTHPGXMNJLQ-CEXWTWQISA-N 2 1 384.565 0.500 10 0 GCAEMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000050999608 1197381816 /nfs/dbraw/zinc/38/18/16/1197381816.db2.gz TXIOGGCWYFITTH-QZTJIDSGSA-N 2 1 382.549 0.698 10 0 GCAEMP CCCNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000050999608 1197381818 /nfs/dbraw/zinc/38/18/18/1197381818.db2.gz TXIOGGCWYFITTH-QZTJIDSGSA-N 2 1 382.549 0.698 10 0 GCAEMP CCCNC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000050999608 1197381821 /nfs/dbraw/zinc/38/18/21/1197381821.db2.gz TXIOGGCWYFITTH-QZTJIDSGSA-N 2 1 382.549 0.698 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700425 1197512096 /nfs/dbraw/zinc/51/20/96/1197512096.db2.gz CWKUBJDESUDCOE-WFXMLNOXSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700425 1197512098 /nfs/dbraw/zinc/51/20/98/1197512098.db2.gz CWKUBJDESUDCOE-WFXMLNOXSA-N 3 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@H]3CCC[N@@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261700425 1197512100 /nfs/dbraw/zinc/51/21/00/1197512100.db2.gz CWKUBJDESUDCOE-WFXMLNOXSA-N 3 1 393.576 0.557 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958077 1197520484 /nfs/dbraw/zinc/52/04/84/1197520484.db2.gz ZZUFHNCXHOUFNP-ULQDDVLXSA-N 2 1 388.516 0.414 10 0 GCAEMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000261958077 1197520487 /nfs/dbraw/zinc/52/04/87/1197520487.db2.gz ZZUFHNCXHOUFNP-ULQDDVLXSA-N 2 1 388.516 0.414 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673013555 1199394829 /nfs/dbraw/zinc/39/48/29/1199394829.db2.gz YTCFIRPRFZRVLT-ZHALLVOQSA-N 2 1 392.544 0.689 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673013555 1199394835 /nfs/dbraw/zinc/39/48/35/1199394835.db2.gz YTCFIRPRFZRVLT-ZHALLVOQSA-N 2 1 392.544 0.689 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583016 1199829505 /nfs/dbraw/zinc/82/95/05/1199829505.db2.gz JBXLAVXNQADHMR-NXWXRZEISA-N 2 1 392.544 0.566 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583016 1199829509 /nfs/dbraw/zinc/82/95/09/1199829509.db2.gz JBXLAVXNQADHMR-NXWXRZEISA-N 2 1 392.544 0.566 10 0 GCAEMP c1cc(C[NH+]2CCN3CCOC[C@@H]3C2)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000543552257 1200113132 /nfs/dbraw/zinc/11/31/32/1200113132.db2.gz QJJFCVGOOWUUPU-VXKWHMMOSA-N 2 1 386.540 0.719 10 0 GCAEMP c1cc(C[NH+]2CCN3CCOC[C@@H]3C2)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000543552257 1200113137 /nfs/dbraw/zinc/11/31/37/1200113137.db2.gz QJJFCVGOOWUUPU-VXKWHMMOSA-N 2 1 386.540 0.719 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246110175 530285033 /nfs/dbraw/zinc/28/50/33/530285033.db2.gz IDONZTIHZKTWHG-IXDOHACOSA-N 2 1 376.567 0.688 10 0 GCAEMP O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261925778 638691095 /nfs/dbraw/zinc/69/10/95/638691095.db2.gz LBLPMTCFWPVKDA-ZNMIVQPWSA-N 2 1 381.489 0.998 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000582025391 1186374512 /nfs/dbraw/zinc/37/45/12/1186374512.db2.gz LZIKRAJBTFZOJT-QRVBRYPASA-N 2 1 392.544 0.567 10 0 GCAEMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000582025391 1186374516 /nfs/dbraw/zinc/37/45/16/1186374516.db2.gz LZIKRAJBTFZOJT-QRVBRYPASA-N 2 1 392.544 0.567 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)[C@@]2(CC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826721 1194239064 /nfs/dbraw/zinc/23/90/64/1194239064.db2.gz NYJSINXYQSYNTR-PDOZGGDVSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826721 1194239068 /nfs/dbraw/zinc/23/90/68/1194239068.db2.gz NYJSINXYQSYNTR-PDOZGGDVSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826721 1194239074 /nfs/dbraw/zinc/23/90/74/1194239074.db2.gz NYJSINXYQSYNTR-PDOZGGDVSA-N 3 1 393.576 0.554 10 0 GCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173698673 1197178642 /nfs/dbraw/zinc/17/86/42/1197178642.db2.gz ZAEHIHYUAPDQTK-GOSISDBHSA-N 2 1 385.516 0.644 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C3CCOCC3)CC2)C1 ZINC000175491599 1197184188 /nfs/dbraw/zinc/18/41/88/1197184188.db2.gz IZXMNTAOOWMKDD-LJQANCHMSA-N 2 1 382.549 0.256 10 0 GCAEMP CC[C@H](CO)N1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000179397023 1197196577 /nfs/dbraw/zinc/19/65/77/1197196577.db2.gz QGLMNIBBRZLQAG-KURKYZTESA-N 2 1 380.533 0.234 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000179397023 1197196578 /nfs/dbraw/zinc/19/65/78/1197196578.db2.gz QGLMNIBBRZLQAG-KURKYZTESA-N 2 1 380.533 0.234 10 0 GCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000179397023 1197196580 /nfs/dbraw/zinc/19/65/80/1197196580.db2.gz QGLMNIBBRZLQAG-KURKYZTESA-N 2 1 380.533 0.234 10 0 GCAEMP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000179286073 1197197665 /nfs/dbraw/zinc/19/76/65/1197197665.db2.gz KVHVJSZLHYCBJO-FQEVSTJZSA-N 2 1 394.608 0.824 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249353891 1197481489 /nfs/dbraw/zinc/48/14/89/1197481489.db2.gz KUHZPXLXZKJUIG-ROUUACIJSA-N 2 1 384.565 0.236 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000261651788 1197510423 /nfs/dbraw/zinc/51/04/23/1197510423.db2.gz AOOOWYKJPFDMRF-CADBVGFASA-N 2 1 392.544 0.737 10 0 GCAEMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261889354 1197517628 /nfs/dbraw/zinc/51/76/28/1197517628.db2.gz QHZCXNQNIBVXQQ-IEBWSBKVSA-N 2 1 388.512 0.892 10 0 GCAEMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902315 1197518071 /nfs/dbraw/zinc/51/80/71/1197518071.db2.gz RTJNRMGFXWOKOD-APWZRJJASA-N 3 1 391.560 0.310 10 0 GCAEMP O=C(CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902315 1197518072 /nfs/dbraw/zinc/51/80/72/1197518072.db2.gz RTJNRMGFXWOKOD-APWZRJJASA-N 2 1 391.560 0.310 10 0 GCAEMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000737251756 1201724730 /nfs/dbraw/zinc/72/47/30/1201724730.db2.gz ZJYPUNSWYBYWEO-UHFFFAOYSA-N 2 1 396.495 0.812 10 0 GCAEMP O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261925772 638497193 /nfs/dbraw/zinc/49/71/93/638497193.db2.gz LBLPMTCFWPVKDA-RRFJBIMHSA-N 2 1 381.489 0.998 10 0 GCAEMP O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261925764 638691033 /nfs/dbraw/zinc/69/10/33/638691033.db2.gz LBLPMTCFWPVKDA-RBSFLKMASA-N 2 1 381.489 0.998 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163424101 1192524436 /nfs/dbraw/zinc/52/44/36/1192524436.db2.gz JCPGBUIMACCWGA-MOPGFXCFSA-N 2 1 381.565 0.766 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163424101 1192524442 /nfs/dbraw/zinc/52/44/42/1192524442.db2.gz JCPGBUIMACCWGA-MOPGFXCFSA-N 2 1 381.565 0.766 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163424307 1192524666 /nfs/dbraw/zinc/52/46/66/1192524666.db2.gz JCPGBUIMACCWGA-RTBURBONSA-N 2 1 381.565 0.766 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000163424307 1192524672 /nfs/dbraw/zinc/52/46/72/1192524672.db2.gz JCPGBUIMACCWGA-RTBURBONSA-N 2 1 381.565 0.766 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1 ZINC000155563425 1186820539 /nfs/dbraw/zinc/82/05/39/1186820539.db2.gz ICMBKIZXSXZZBN-INIZCTEOSA-N 2 1 384.565 0.990 10 0 GCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329592848 1186969637 /nfs/dbraw/zinc/96/96/37/1186969637.db2.gz ULUPXMDDYYHYEK-CEXWTWQISA-N 2 1 394.560 0.888 10 0 GCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329592848 1186969642 /nfs/dbraw/zinc/96/96/42/1186969642.db2.gz ULUPXMDDYYHYEK-CEXWTWQISA-N 2 1 394.560 0.888 10 0 GCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329592849 1186969729 /nfs/dbraw/zinc/96/97/29/1186969729.db2.gz ULUPXMDDYYHYEK-FHWLQOOXSA-N 2 1 394.560 0.888 10 0 GCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329592849 1186969731 /nfs/dbraw/zinc/96/97/31/1186969731.db2.gz ULUPXMDDYYHYEK-FHWLQOOXSA-N 2 1 394.560 0.888 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550466187 1196030411 /nfs/dbraw/zinc/03/04/11/1196030411.db2.gz QFJAMJMMOIFWFM-UHFFFAOYSA-N 2 1 381.565 0.367 10 0 GCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000172243279 1197159761 /nfs/dbraw/zinc/15/97/61/1197159761.db2.gz HCPLHUSIPJRUEF-KRWDZBQOSA-N 2 1 380.533 0.546 10 0 GCAEMP CN1CCC(CNC(=O)NCC[N@H+]2CCCOCC2)([NH+]2CCCCC2)CC1 ZINC000187219833 1197230466 /nfs/dbraw/zinc/23/04/66/1197230466.db2.gz ATQMJZOGBKVKQG-UHFFFAOYSA-N 2 1 381.565 0.958 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[NH+]2CCOCC2)CC1=O ZINC000246558919 1197472811 /nfs/dbraw/zinc/47/28/11/1197472811.db2.gz YYOPPUHTZFNSSH-ZWKOTPCHSA-N 2 1 380.533 0.548 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249396061 1197481829 /nfs/dbraw/zinc/48/18/29/1197481829.db2.gz RQLYAONEXSFABV-ROUUACIJSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249396061 1197481833 /nfs/dbraw/zinc/48/18/33/1197481833.db2.gz RQLYAONEXSFABV-ROUUACIJSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249396061 1197481836 /nfs/dbraw/zinc/48/18/36/1197481836.db2.gz RQLYAONEXSFABV-ROUUACIJSA-N 2 1 384.565 0.236 10 0 GCAEMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000261651792 1197510331 /nfs/dbraw/zinc/51/03/31/1197510331.db2.gz AOOOWYKJPFDMRF-INDMIFKZSA-N 2 1 392.544 0.737 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261698418 1197512051 /nfs/dbraw/zinc/51/20/51/1197512051.db2.gz CWKUBJDESUDCOE-BBTUJRGHSA-N 2 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCC[N@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261698418 1197512053 /nfs/dbraw/zinc/51/20/53/1197512053.db2.gz CWKUBJDESUDCOE-BBTUJRGHSA-N 2 1 393.576 0.557 10 0 GCAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCC[N@@H+](CC)C3)CC[NH2+]C2)C1 ZINC000261698418 1197512054 /nfs/dbraw/zinc/51/20/54/1197512054.db2.gz CWKUBJDESUDCOE-BBTUJRGHSA-N 3 1 393.576 0.557 10 0 GCAEMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902318 1197518023 /nfs/dbraw/zinc/51/80/23/1197518023.db2.gz RTJNRMGFXWOKOD-VQIMIIECSA-N 3 1 391.560 0.310 10 0 GCAEMP O=C(CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000261902318 1197518026 /nfs/dbraw/zinc/51/80/26/1197518026.db2.gz RTJNRMGFXWOKOD-VQIMIIECSA-N 2 1 391.560 0.310 10 0 GCAEMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000129143491 1199173792 /nfs/dbraw/zinc/17/37/92/1199173792.db2.gz YUXJCVMOEDWTRS-UHFFFAOYSA-N 2 1 375.502 0.451 10 0 GCAEMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCCSCC2)CC1 ZINC000129143491 1199173801 /nfs/dbraw/zinc/17/38/01/1199173801.db2.gz YUXJCVMOEDWTRS-UHFFFAOYSA-N 2 1 375.502 0.451 10 0 GCAEMP C[C@@]12CN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702092147 1200321349 /nfs/dbraw/zinc/32/13/49/1200321349.db2.gz BGUQXONYCFYKLQ-IPMKNSEASA-N 2 1 379.526 0.759 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000676088665 1200492930 /nfs/dbraw/zinc/49/29/30/1200492930.db2.gz CWQXXVGURUFEOZ-KRWDZBQOSA-N 2 1 384.484 0.774 10 0 GCAEMP COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH2+]CCO1 ZINC000710685592 1200591422 /nfs/dbraw/zinc/59/14/22/1200591422.db2.gz CYRPOIJBEGNHRR-UYAOXDASSA-N 2 1 377.485 0.399 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246110161 530285085 /nfs/dbraw/zinc/28/50/85/530285085.db2.gz IDONZTIHZKTWHG-GVDBMIGSSA-N 2 1 376.567 0.688 10 0 GCAEMP CC(C)C[N@@H+]1CCn2nc(CNC(=O)C3CC[NH+](CC(N)=O)CC3)cc2C1 ZINC000082137284 222310090 /nfs/dbraw/zinc/31/00/90/222310090.db2.gz OPSAGZINRBNRMS-UHFFFAOYSA-N 2 1 376.505 0.168 10 0 GCAEMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C3CC[NH+](CC(N)=O)CC3)cc2C1 ZINC000082137284 222310094 /nfs/dbraw/zinc/31/00/94/222310094.db2.gz OPSAGZINRBNRMS-UHFFFAOYSA-N 2 1 376.505 0.168 10 0 GCAEMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000683878187 1185173891 /nfs/dbraw/zinc/17/38/91/1185173891.db2.gz MSDPSQABERQDSY-HNNXBMFYSA-N 2 1 392.504 0.095 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000580796091 1185364047 /nfs/dbraw/zinc/36/40/47/1185364047.db2.gz GSVGUCOLPRJFHJ-OWYHZJEWSA-N 2 1 392.544 0.566 10 0 GCAEMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)c(=O)n2C ZINC000157118145 1186348640 /nfs/dbraw/zinc/34/86/40/1186348640.db2.gz DDBWSNGBOIOCLZ-MRXNPFEDSA-N 2 1 388.516 0.774 10 0 GCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)c(=O)n2C ZINC000157118145 1186348645 /nfs/dbraw/zinc/34/86/45/1186348645.db2.gz DDBWSNGBOIOCLZ-MRXNPFEDSA-N 2 1 388.516 0.774 10 0 GCAEMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCNc1cc[nH+]cc1 ZINC000536016748 1186848442 /nfs/dbraw/zinc/84/84/42/1186848442.db2.gz FZTTZBUYEXJLLD-UHFFFAOYSA-N 2 1 383.500 0.822 10 0 GCAEMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329501549 1186953728 /nfs/dbraw/zinc/95/37/28/1186953728.db2.gz WBICZOUTDQNLPA-ZWKOTPCHSA-N 2 1 378.517 0.252 10 0 GCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329592851 1186969661 /nfs/dbraw/zinc/96/96/61/1186969661.db2.gz ULUPXMDDYYHYEK-QYZOEREBSA-N 2 1 394.560 0.888 10 0 GCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329592851 1186969664 /nfs/dbraw/zinc/96/96/64/1186969664.db2.gz ULUPXMDDYYHYEK-QYZOEREBSA-N 2 1 394.560 0.888 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)CC[NH2+]C2)CC[N@H+]1C ZINC000261826718 1194239193 /nfs/dbraw/zinc/23/91/93/1194239193.db2.gz NYJSINXYQSYNTR-OHHNFCFSSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826718 1194239197 /nfs/dbraw/zinc/23/91/97/1194239197.db2.gz NYJSINXYQSYNTR-OHHNFCFSSA-N 3 1 393.576 0.554 10 0 GCAEMP C[C@@H]1C[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[NH2+]C2)CC[NH+]1C ZINC000261826718 1194239200 /nfs/dbraw/zinc/23/92/00/1194239200.db2.gz NYJSINXYQSYNTR-OHHNFCFSSA-N 3 1 393.576 0.554 10 0 GCAEMP CN(CCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000637929603 1194830616 /nfs/dbraw/zinc/83/06/16/1194830616.db2.gz NBLRTWYCZFDIOR-UHFFFAOYSA-N 2 1 396.557 0.768 10 0 GCAEMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000507404728 1195517199 /nfs/dbraw/zinc/51/71/99/1195517199.db2.gz QFXSARQWESWJOO-UHFFFAOYSA-N 2 1 376.457 0.744 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3CC[NH+](CC)C[C@@H]32)CC1=O ZINC000329536103 1196203572 /nfs/dbraw/zinc/20/35/72/1196203572.db2.gz LUGBFUHIZOQELU-AKHDSKFASA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1=O ZINC000329536103 1196203574 /nfs/dbraw/zinc/20/35/74/1196203574.db2.gz LUGBFUHIZOQELU-AKHDSKFASA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)CC1=O ZINC000329536103 1196203578 /nfs/dbraw/zinc/20/35/78/1196203578.db2.gz LUGBFUHIZOQELU-AKHDSKFASA-N 2 1 392.544 0.641 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000175790625 1197185855 /nfs/dbraw/zinc/18/58/55/1197185855.db2.gz VBSOCWSKJLMBQA-UXHICEINSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790625 1197185857 /nfs/dbraw/zinc/18/58/57/1197185857.db2.gz VBSOCWSKJLMBQA-UXHICEINSA-N 2 1 394.608 0.681 10 0 GCAEMP C[C@H](CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000175790625 1197185859 /nfs/dbraw/zinc/18/58/59/1197185859.db2.gz VBSOCWSKJLMBQA-UXHICEINSA-N 2 1 394.608 0.681 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000189450058 1197236749 /nfs/dbraw/zinc/23/67/49/1197236749.db2.gz KUHZPXLXZKJUIG-ZWKOTPCHSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000189450058 1197236751 /nfs/dbraw/zinc/23/67/51/1197236751.db2.gz KUHZPXLXZKJUIG-ZWKOTPCHSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000189450058 1197236752 /nfs/dbraw/zinc/23/67/52/1197236752.db2.gz KUHZPXLXZKJUIG-ZWKOTPCHSA-N 2 1 384.565 0.236 10 0 GCAEMP CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000050999612 1197381718 /nfs/dbraw/zinc/38/17/18/1197381718.db2.gz TXIOGGCWYFITTH-ZWKOTPCHSA-N 2 1 382.549 0.698 10 0 GCAEMP CCCNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000050999612 1197381720 /nfs/dbraw/zinc/38/17/20/1197381720.db2.gz TXIOGGCWYFITTH-ZWKOTPCHSA-N 2 1 382.549 0.698 10 0 GCAEMP CCCNC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000050999612 1197381723 /nfs/dbraw/zinc/38/17/23/1197381723.db2.gz TXIOGGCWYFITTH-ZWKOTPCHSA-N 2 1 382.549 0.698 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000195316898 1197400589 /nfs/dbraw/zinc/40/05/89/1197400589.db2.gz IJSJIJGNYDZFLI-CEXWTWQISA-N 2 1 384.565 0.500 10 0 GCAEMP CC[NH+]1CCC(NC(=O)CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000532731260 1197406422 /nfs/dbraw/zinc/40/64/22/1197406422.db2.gz AOFHNNLYHUWKRN-UHFFFAOYSA-N 2 1 375.521 0.265 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249396058 1197481990 /nfs/dbraw/zinc/48/19/90/1197481990.db2.gz RQLYAONEXSFABV-MSOLQXFVSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249396058 1197481994 /nfs/dbraw/zinc/48/19/94/1197481994.db2.gz RQLYAONEXSFABV-MSOLQXFVSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000249396058 1197481998 /nfs/dbraw/zinc/48/19/98/1197481998.db2.gz RQLYAONEXSFABV-MSOLQXFVSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000262249176 1197528259 /nfs/dbraw/zinc/52/82/59/1197528259.db2.gz PVMCKXUNIDKVFL-RBUKOAKNSA-N 2 1 375.517 0.501 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173090731 530847997 /nfs/dbraw/zinc/84/79/97/530847997.db2.gz IDONZTIHZKTWHG-YESZJQIVSA-N 2 1 376.567 0.688 10 0 GCAEMP CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000023338862 207276187 /nfs/dbraw/zinc/27/61/87/207276187.db2.gz JJIIOWVOOAJWFJ-IBGZPJMESA-N 2 1 394.560 0.794 10 0 GCAEMP CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000023338862 207276190 /nfs/dbraw/zinc/27/61/90/207276190.db2.gz JJIIOWVOOAJWFJ-IBGZPJMESA-N 2 1 394.560 0.794 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000583157675 1186784309 /nfs/dbraw/zinc/78/43/09/1186784309.db2.gz ATPJSCBQUBFFOI-IBGZPJMESA-N 2 1 395.592 0.613 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000583157675 1186784312 /nfs/dbraw/zinc/78/43/12/1186784312.db2.gz ATPJSCBQUBFFOI-IBGZPJMESA-N 2 1 395.592 0.613 10 0 GCAEMP c1cn(C[C@@H]2CC[NH+](CC3(C[N@@H+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996315 /nfs/dbraw/zinc/99/63/15/1189996315.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 2 1 386.504 0.230 10 0 GCAEMP c1cn(C[C@@H]2CC[N@@H+](CC3(C[NH+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996318 /nfs/dbraw/zinc/99/63/18/1189996318.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 2 1 386.504 0.230 10 0 GCAEMP c1cn(C[C@@H]2CC[N@H+](CC3(C[NH+]4CC[C@H](Cn5ccnn5)C4)COC3)C2)nn1 ZINC000661144760 1189996323 /nfs/dbraw/zinc/99/63/23/1189996323.db2.gz FJWRTDJVMJLHCF-HDICACEKSA-N 2 1 386.504 0.230 10 0 GCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000516674147 1195082190 /nfs/dbraw/zinc/08/21/90/1195082190.db2.gz XBOWQKHUCZCMPE-JFIYKMOQSA-N 2 1 378.517 0.299 10 0 GCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3CC[NH+](CC)C[C@@H]32)CC1=O ZINC000329536107 1196203659 /nfs/dbraw/zinc/20/36/59/1196203659.db2.gz LUGBFUHIZOQELU-YDZRNGNQSA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1=O ZINC000329536107 1196203660 /nfs/dbraw/zinc/20/36/60/1196203660.db2.gz LUGBFUHIZOQELU-YDZRNGNQSA-N 2 1 392.544 0.641 10 0 GCAEMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)CC1=O ZINC000329536107 1196203664 /nfs/dbraw/zinc/20/36/64/1196203664.db2.gz LUGBFUHIZOQELU-YDZRNGNQSA-N 2 1 392.544 0.641 10 0 GCAEMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329645582 1196214941 /nfs/dbraw/zinc/21/49/41/1196214941.db2.gz DJNBBOOEDUQEFJ-KURKYZTESA-N 2 1 380.533 0.641 10 0 GCAEMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329645582 1196214942 /nfs/dbraw/zinc/21/49/42/1196214942.db2.gz DJNBBOOEDUQEFJ-KURKYZTESA-N 2 1 380.533 0.641 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178484852 1197194188 /nfs/dbraw/zinc/19/41/88/1197194188.db2.gz CKUUPMDGJFATQR-OALUTQOASA-N 2 1 382.549 0.114 10 0 GCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000179472722 1197197928 /nfs/dbraw/zinc/19/79/28/1197197928.db2.gz YBKHIICTROIHMF-AEFFLSMTSA-N 2 1 384.484 0.945 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000189450041 1197236770 /nfs/dbraw/zinc/23/67/70/1197236770.db2.gz KUHZPXLXZKJUIG-QZTJIDSGSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000189450041 1197236771 /nfs/dbraw/zinc/23/67/71/1197236771.db2.gz KUHZPXLXZKJUIG-QZTJIDSGSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000189450041 1197236773 /nfs/dbraw/zinc/23/67/73/1197236773.db2.gz KUHZPXLXZKJUIG-QZTJIDSGSA-N 2 1 384.565 0.236 10 0 GCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+](C)CCCO)CC2)C1 ZINC000115547123 1197337312 /nfs/dbraw/zinc/33/73/12/1197337312.db2.gz XYBMZCVRSLHYAA-LJQANCHMSA-N 2 1 384.565 0.238 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@H+](C)CCCO)CC2)C1 ZINC000115547123 1197337315 /nfs/dbraw/zinc/33/73/15/1197337315.db2.gz XYBMZCVRSLHYAA-LJQANCHMSA-N 2 1 384.565 0.238 10 0 GCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000115547123 1197337318 /nfs/dbraw/zinc/33/73/18/1197337318.db2.gz XYBMZCVRSLHYAA-LJQANCHMSA-N 2 1 384.565 0.238 10 0 GCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000119681162 1197340974 /nfs/dbraw/zinc/34/09/74/1197340974.db2.gz AWTZRMKQRGTBKT-GURQWTFNSA-N 2 1 377.577 0.782 10 0 GCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119681162 1197340977 /nfs/dbraw/zinc/34/09/77/1197340977.db2.gz AWTZRMKQRGTBKT-GURQWTFNSA-N 2 1 377.577 0.782 10 0 GCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000245695542 1197419652 /nfs/dbraw/zinc/41/96/52/1197419652.db2.gz YBKHIICTROIHMF-FUHWJXTLSA-N 2 1 384.484 0.945 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCOC)CC1=O ZINC000246465579 1197470948 /nfs/dbraw/zinc/47/09/48/1197470948.db2.gz PXYQLKYOYRHRBH-KZNAEPCWSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1=O ZINC000246465579 1197470949 /nfs/dbraw/zinc/47/09/49/1197470949.db2.gz PXYQLKYOYRHRBH-KZNAEPCWSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1=O ZINC000246465579 1197470950 /nfs/dbraw/zinc/47/09/50/1197470950.db2.gz PXYQLKYOYRHRBH-KZNAEPCWSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCOC)CC1=O ZINC000246465599 1197471560 /nfs/dbraw/zinc/47/15/60/1197471560.db2.gz PXYQLKYOYRHRBH-RCCFBDPRSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1=O ZINC000246465599 1197471561 /nfs/dbraw/zinc/47/15/61/1197471561.db2.gz PXYQLKYOYRHRBH-RCCFBDPRSA-N 2 1 380.533 0.546 10 0 GCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1=O ZINC000246465599 1197471565 /nfs/dbraw/zinc/47/15/65/1197471565.db2.gz PXYQLKYOYRHRBH-RCCFBDPRSA-N 2 1 380.533 0.546 10 0 GCAEMP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262091566 1197524809 /nfs/dbraw/zinc/52/48/09/1197524809.db2.gz LKLZZOOFCZQXQW-CQSZACIVSA-N 2 1 378.439 0.931 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672543067 1199261952 /nfs/dbraw/zinc/26/19/52/1199261952.db2.gz ORSQNDZWQDXBSQ-GOSISDBHSA-N 2 1 393.576 0.509 10 0 GCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672543067 1199261960 /nfs/dbraw/zinc/26/19/60/1199261960.db2.gz ORSQNDZWQDXBSQ-GOSISDBHSA-N 2 1 393.576 0.509 10 0 GCAEMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cnn(CC[NH+](C)C)c1)C2 ZINC000672687337 1199315531 /nfs/dbraw/zinc/31/55/31/1199315531.db2.gz LCGWETZAYNZBTN-ZXFUBFMLSA-N 2 1 391.520 0.650 10 0 GCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583018 1199828664 /nfs/dbraw/zinc/82/86/64/1199828664.db2.gz JBXLAVXNQADHMR-OWYHZJEWSA-N 2 1 392.544 0.566 10 0 GCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583018 1199828670 /nfs/dbraw/zinc/82/86/70/1199828670.db2.gz JBXLAVXNQADHMR-OWYHZJEWSA-N 2 1 392.544 0.566 10 0 GCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000676092166 1200486039 /nfs/dbraw/zinc/48/60/39/1200486039.db2.gz ZSRQZODVKLYMDL-QGZVFWFLSA-N 2 1 392.504 0.097 10 0 GCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000330207989 1201064420 /nfs/dbraw/zinc/06/44/20/1201064420.db2.gz GIYJTGKJDMQAET-UHFFFAOYSA-N 2 1 391.520 0.778 10 0 GCAEMP